A0A3Q0KI42_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KI42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 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
1M46.1Very low49.3Very low242 Ų242160.3 Ų160.3100%1.19284%0.838SS**  0116.10-73.8-170.4176.400107.7G3M1-G3 PolarHBondContact O-N 3.29Å
2N42.6Very low50.2Low161 Ų161158.2 Ų158.286%0.86183%0.828SS**  trans-85.8107.2-165.2-66.5-20000111.5
3G47.7Very low51.2Low76 Ų76154.3 Ų154.378%0.78481%0.809SS**  trans-97.188.2169.200000111.1M1 L5M1-G3 PolarHBondContact O-N 3.29Å; G3-L5 PolarHBondContact O-N 3.11Å
4I52.3Low51.9Low148 Ų148151.9 Ų151.976%0.75979%0.791SS**  trans-79.2103.8172.1-64.4170.1000107.9K6I4-K6 PolarHBondContact O-N 2.71Å
5L47.1Very low52.8Low170 Ų170143.9 Ų143.989%0.8975%0.75SS**  trans-80.3108.1167.5-76.1168.5000108.8G3G3-L5 PolarHBondContact O-N 3.11Å
6K49.1Very low53.6Low182 Ų182141.7 Ų141.779%0.79174%0.739SS**  trans-66.5145.1173.2-71-172.6175.2-175.70110.6I4I4-K6 PolarHBondContact O-N 2.71Å
7P42.5Very low54.1Low118 Ų118141.3 Ų141.377%0.76674%0.736SS**  trans-61.1138.9170.227.2-32.5000109.5E9P7-E9 PolarHBondContact O-N 2.82Å
8K52.2Low54.7Low198 Ų198136 Ų13686%0.86171%0.709SS**  trans-62.2103.1178.3-160.2174.9-174.5179.10108.5M10K8-M10 PolarHBondContact O-N 2.99Å; K8-M10 VanDerWaalsContact O-N 3.15Å
9E51.3Low55.2Low187 Ų187131.6 Ų131.687%0.87469%0.688SS**  trans-57.5114.7168.2-76.5176165.200107.9P7P7-E9 PolarHBondContact O-N 2.82Å
10M53.2Low55.8Low153 Ų153131.1 Ų131.175%0.75469%0.686SS**  trans-78.5126.8169.3-70.5-161.1176.500107.8K8 N12K8-M10 PolarHBondContact O-N 2.99Å; K8-M10 VanDerWaalsContact O-N 3.15Å; M10-N12 PolarHBondContact O-N 3.41Å
11N57.8Low56.3Low128 Ų128128.9 Ų128.968%0.68468%0.675SS**  trans-47.8130.8-179.2-94.3-13.5000112.4N13N11-N13 PolarHBondContact O-N 3.4Å; N11-N13 VanDerWaalsContact O-N 3.16Å
12N60.7Low57.6Low135 Ų135117.9 Ų117.972%0.72262%0.622SS**THydrogen-bonded Turntrans-63.1-15.5175-67.5-30.4000113.4M10 E14 L15M10-N12 PolarHBondContact O-N 3.41Å; N12-E14 PolarHBondContact O-N 3.26Å; N12-E14 VanDerWaalsContact O-N 3.1Å; N12-L15 PolarHBondContact O-N 2.96Å
13N63Low58.7Low108 Ų108117.5 Ų117.558%0.57862%0.62SS**Hα-helixtrans-67.1-12.5-173.9-62.812.1000115N11N11-N13 PolarHBondContact O-N 3.4Å; N11-N13 VanDerWaalsContact O-N 3.16Å
14E61.3Low60.2Low120 Ų120117.9 Ų117.956%0.56162%0.624SS**Hα-helixtrans-83.2-18-178.9-150-178.2-155.400112.7N12 K40N12-E14 PolarHBondContact O-N 3.26Å; N12-E14 VanDerWaalsContact O-N 3.1Å; E14-K40 IonicContact OE2-NZ 2.8Å; E14-K40 PolarHBondContact OE2-NZ 3.28Å
15L64.8Low61.9Low33 Ų33112.7 Ų112.717%0.17360%0.597CS.*Hα-helixtrans-79-33.4175.7-109.4148.1000111.6N12 I17 L18 V19 P36 K40N12-L15 PolarHBondContact O-N 2.96Å; L15-I17 VanDerWaalsContact C-N 3.27Å; L15-I17 PolarHBondContact O-N 3.02Å; L15-L18 PolarHBondContact O-N 2.72Å; L15-L18 VanDerWaalsContact O-N 3.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-P36 HydrophobicContact CD1-CB 4.32Å; L15-K40 HydrophobicContact CD1-CB 4.39Å; L15-K40 HydrophobicContact CD1-CD 4.41Å
16D65.5Low63.9Low108 Ų108112.7 Ų112.758%0.57859%0.593SS**Hα-helixtrans-61.6-34.6-178.1-70.2-23.7000112.4L18 V19D16-L18 PolarHBondContact O-N 3.18Å; D16-V19 PolarHBondContact O-N 3.02Å
17I62.9Low66Low135 Ų135108 Ų10869%0.69257%0.574SS**Hα-helixtrans-70.7-16.4-178.4-55173000112.2L15L15-I17 VanDerWaalsContact C-N 3.27Å; L15-I17 PolarHBondContact O-N 3.02Å
18L64Low68.4Low46 Ų46102.6 Ų102.624%0.24154%0.538CS..Hα-helixtrans-99.2-10.4-177.1-80.6162.7000114.2L15 D16 I43L15-L18 PolarHBondContact O-N 2.72Å; L15-L18 VanDerWaalsContact O-N 3.13Å; D16-L18 PolarHBondContact O-N 3.18Å; L18-I43 HydrophobicContact CD1-CD1 4.5Å; L18-I43 HydrophobicContact CD1-CG2 4.37Å
19V65.1Low70.3Confident52 Ų5295.3 Ų95.332%0.31551%0.512SS..Hα-helixtrans-99.9-13-170.2179.30000112.7L15 D16 D21 V22L15-V19 WeakPolarHBondContact O-CG2 3.49Å; D16-V19 PolarHBondContact O-N 3.02Å; V19-D21 PolarHBondContact O-N 2.94Å; V19-V22 PolarHBondContact O-N 2.86Å
20D67.2Low72.2Confident121 Ų12189.4 Ų89.465%0.64749%0.492SS*.THydrogen-bonded Turntrans-58.7-22.9-176.2-73.6-23.8000114.6
21D66.5Low74.1Confident86 Ų8682.3 Ų82.346%0.4646%0.457SS..THydrogen-bonded Turntrans-94.1-0.1178.9-78.9-50000115.2V19 N23 K364V19-D21 PolarHBondContact O-N 2.94Å; D21-N23 VanDerWaalsContact C-N 3.26Å; D21-N23 PolarHBondContact O-N 3.45Å; D21-K364 WeakPolarHBondContact OD1-CE 3.47Å; D21-K364 IonicContact OD1-NZ 2.69Å; D21-K364 PolarHBondContact OD1-NZ 3.43Å; D21-K364 WeakPolarHBondContact OD2-CD 3.4Å; D21-K364 WeakPolarHBondContact OD2-CE 3.38Å; D21-K364 WeakPolarHBondContact OD2-CG 3.39Å; D21-K364 IonicContact OD2-NZ 3.28Å; D21-K364 PolarHBondContact OD2-NZ 2.77Å
22V72.1Confident75.8Confident11 Ų1177 Ų777%0.06743%0.428CS..  trans-87.12.2-179-168.50000112.3V19 G24 D25 L28 I32V19-V22 PolarHBondContact O-N 2.86Å; V22-G24 PolarHBondContact O-N 3.43Å; V22-D25 PolarHBondContact O-N 3.37Å; V22-L28 HydrophobicContact CG1-CB 4.13Å; V22-L28 HydrophobicContact CG1-CD2 3.86Å; V22-L28 HydrophobicContact CG1-CG 3.92Å; V22-I32 HydrophobicContact CG1-CD1 4.24Å; V22-I32 HydrophobicContact CG2-CD1 4.25Å
23N66Low77.3Confident153 Ų15378.3 Ų78.382%0.81843%0.43SS*.THydrogen-bonded Turntrans-58.8-1.8-171-99.8-17.8000117.4D21D21-N23 VanDerWaalsContact C-N 3.26Å; D21-N23 PolarHBondContact O-N 3.45Å
24G79.1Confident78.7Confident84 Ų8476.4 Ų76.487%0.86642%0.424SS*.THydrogen-bonded Turntrans-104.8-8175.300000115.5V22V22-G24 PolarHBondContact O-N 3.43Å
25D87.9Confident80.2Confident39 Ų3971.3 Ų71.321%0.20940%0.4CS..  trans-126.189.9-172.1-167.5-9.2000111.1V22 E27 L28 S29 R374V22-D25 PolarHBondContact O-N 3.37Å; D25-E27 PolarHBondContact O-N 2.93Å; D25-E27 PolarHBondContact OD1-N 3.26Å; D25-L28 HydrophobicContact CB-CB 3.92Å; D25-L28 VanDerWaalsContact CG-CB 3.49Å; D25-L28 PolarHBondContact O-N 3.48Å; D25-L28 PolarHBondContact OD1-N 2.72Å; D25-L28 WeakPolarHBondContact OD2-CB 3.49Å; D25-S29 PolarHBondContact O-N 2.78Å; D25-S29 PolarHBondContact O-OG 3.48Å; D25-R374 IonicContact OD1-CZ 3.67Å; D25-R374 IonicContact OD1-NE 3.9Å; D25-R374 IonicContact OD1-NH2 4Å; D25-R374 PolarHBondContact OD1-NH2 3.37Å; D25-R374 IonicContact OD2-CZ 3.02Å; D25-R374 IonicContact OD2-NE 2.88Å; D25-R374 PolarHBondContact OD2-NE 2.87Å; D25-R374 IonicContact OD2-NH2 2.81Å; D25-R374 PolarHBondContact OD2-NH2 2.95Å
26E90.2Very high81.6Confident169 Ų16972.3 Ų72.379%0.7941%0.409SS*.Hα-helixtrans-57.9-34.8178.7-68.2-176.5176.800112.4S30E26-S30 WeakPolarHBondContact O-CB 3.29Å; E26-S30 PolarHBondContact O-N 2.99Å; E26-S30 PolarHBondContact O-OG 2.89Å
27E92.7Very high82.8Confident85 Ų8572.6 Ų72.640%0.39741%0.41SS..Hα-helixtrans-67.8-44.6179.3-167.6-174-171.900110.5D25 S30 L31 R374 K378D25-E27 PolarHBondContact O-N 2.93Å; D25-E27 PolarHBondContact OD1-N 3.26Å; E27-S30 PolarHBondContact O-N 3.28Å; E27-L31 HydrophobicContact CG-CD1 4.44Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.3Å; E27-L31 PolarHBondContact O-N 3.34Å; E27-R374 IonicContact OE2-CZ 3.66Å; E27-R374 IonicContact OE2-NH2 2.79Å; E27-R374 PolarHBondContact OE2-NH2 3.18Å; E27-K378 VanDerWaalsContact CD-CE 3.43Å; E27-K378 WeakPolarHBondContact OE1-CE 3.4Å; E27-K378 IonicContact OE1-NZ 2.78Å; E27-K378 PolarHBondContact OE1-NZ 3.36Å; E27-K378 WeakPolarHBondContact OE2-CE 3.38Å; E27-K378 IonicContact OE2-NZ 3.97Å; E27-K378 PolarHBondContact OE2-NZ 3.08Å
28L92.9Very high84.3Confident4 Ų469.5 Ų69.52%0.02139%0.393CS..Hα-helixtrans-68.6-40.2178.8-175.458.6000111.6V22 D25 S30 L31 I32 L370 L373 R374 L377V22-L28 HydrophobicContact CG1-CB 4.13Å; V22-L28 HydrophobicContact CG1-CD2 3.86Å; V22-L28 HydrophobicContact CG1-CG 3.92Å; D25-L28 HydrophobicContact CB-CB 3.92Å; D25-L28 VanDerWaalsContact CG-CB 3.49Å; D25-L28 PolarHBondContact O-N 3.48Å; D25-L28 PolarHBondContact OD1-N 2.72Å; D25-L28 WeakPolarHBondContact OD2-CB 3.49Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 2.9Å; L28-L31 WeakPolarHBondContact O-CB 3.45Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-L31 VanDerWaalsContact O-N 3.16Å; L28-I32 HydrophobicContact CD1-CD1 4.39Å; L28-I32 HydrophobicContact CD1-CG1 4.4Å; L28-I32 HydrophobicContact CG-CD1 4.04Å; L28-I32 HydrophobicContact CG-CG1 4.49Å; L28-I32 WeakPolarHBondContact O-CG1 3.23Å; L28-I32 PolarHBondContact O-N 3.13Å; L28-L370 HydrophobicContact CD2-CD2 4.06Å; L28-L373 HydrophobicContact CD1-CG 4.49Å; L28-R374 HydrophobicContact CD1-CB 4.04Å; L28-R374 HydrophobicContact CD1-CG 4.25Å; L28-L377 HydrophobicContact CD1-CD1 4.06Å
29S91.6Very high85.7Confident44 Ų4467.4 Ų67.431%0.30838%0.382SS..Hα-helixtrans-59.8-44.9175.7-59.60000111.5D25 L31 I32 Q33D25-S29 PolarHBondContact O-N 2.78Å; D25-S29 PolarHBondContact O-OG 3.48Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.33Å; S29-I32 PolarHBondContact O-N 2.94Å; S29-Q33 PolarHBondContact O-N 3.41Å
30S92.4Very high86.9Confident64 Ų6467.4 Ų67.445%0.44838%0.378SS..Hα-helixtrans-62.4-37.9175.5-59.90000112.3E26 E27 L28 C34E26-S30 WeakPolarHBondContact O-CB 3.29Å; E26-S30 PolarHBondContact O-N 2.99Å; E26-S30 PolarHBondContact O-OG 2.89Å; E27-S30 PolarHBondContact O-N 3.28Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 2.9Å; S30-C34 PolarHBondContact O-N 2.62Å; S30-C34 PolarHBondContact O-SG 2.69Å
31L93.6Very high88.1Confident4 Ų467.9 Ų67.92%0.02138%0.376CS..Hα-helixtrans-68.2-43.1177-78.8169.3000112.2E27 L28 S29 Q33 C34 F35 L377 K378 K381E27-L31 HydrophobicContact CG-CD1 4.44Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.3Å; E27-L31 PolarHBondContact O-N 3.34Å; L28-L31 WeakPolarHBondContact O-CB 3.45Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-L31 VanDerWaalsContact O-N 3.16Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.33Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 3.03Å; L31-C34 WeakPolarHBondContact O-CB 2.99Å; L31-C34 PolarHBondContact O-N 3.01Å; L31-F35 PolarHBondContact O-N 3.46Å; L31-L377 HydrophobicContact CB-CB 3.91Å; L31-L377 HydrophobicContact CB-CD1 3.88Å; L31-L377 HydrophobicContact CD1-CB 4.11Å; L31-L377 HydrophobicContact CD2-CB 4.15Å; L31-L377 HydrophobicContact CG-CB 4.29Å; L31-K378 HydrophobicContact CD1-CG 3.85Å; L31-K381 HydrophobicContact CD2-CB 4.04Å; L31-K381 HydrophobicContact CD2-CD 3.71Å; L31-K381 HydrophobicContact CD2-CG 4.47Å
32I92.7Very high89.4Confident15 Ų1565.4 Ų65.48%0.07736%0.361CS..Hα-helixtrans-62.5-42.8177.5-69.1169.1000110.3V22 L28 S29 C34 F35 P36 T39 L377V22-I32 HydrophobicContact CG1-CD1 4.24Å; V22-I32 HydrophobicContact CG2-CD1 4.25Å; L28-I32 HydrophobicContact CD1-CD1 4.39Å; L28-I32 HydrophobicContact CD1-CG1 4.4Å; L28-I32 HydrophobicContact CG-CD1 4.04Å; L28-I32 HydrophobicContact CG-CG1 4.49Å; L28-I32 WeakPolarHBondContact O-CG1 3.23Å; L28-I32 PolarHBondContact O-N 3.13Å; S29-I32 PolarHBondContact O-N 2.94Å; I32-C34 VanDerWaalsContact C-N 3.25Å; I32-C34 PolarHBondContact O-N 3.17Å; I32-F35 CarbonylContact O-C 3.28Å; I32-F35 VanDerWaalsContact O-C 3.28Å; I32-F35 PolarHBondContact O-N 3.26Å; I32-F35 VanDerWaalsContact O-N 3.16Å; I32-P36 WeakPolarHBondContact O-CA 3.37Å; I32-T39 HydrophobicContact CG1-CG2 4.08Å; I32-T39 HydrophobicContact CG2-CG2 4.12Å; I32-L377 HydrophobicContact CG1-CD1 3.86Å
33Q91.7Very high90.3Very high164 Ų16465.4 Ų65.477%0.76636%0.361SS*.Hα-helixtrans-63-32.5176.9-166.51761800112.5S29 L31S29-Q33 PolarHBondContact O-N 3.41Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 3.03Å
34C92.7Very high91.3Very high67 Ų6761.6 Ų61.645%0.45334%0.34SS..Hα-helixtrans-74.1-25.7176.8-71.70000113.6S30 L31 I32S30-C34 PolarHBondContact O-N 2.62Å; S30-C34 PolarHBondContact O-SG 2.69Å; L31-C34 WeakPolarHBondContact O-CB 2.99Å; L31-C34 PolarHBondContact O-N 3.01Å; I32-C34 VanDerWaalsContact C-N 3.25Å; I32-C34 PolarHBondContact O-N 3.17Å
35F93.3Very high91.9Very high13 Ų1365.1 Ų65.16%0.05733%0.332CS..  trans-141.661.6-171.9-58-74.7000112.4L31 I32 N37 E38 T39 L377 L380 K381 R384L31-F35 PolarHBondContact O-N 3.46Å; I32-F35 CarbonylContact O-C 3.28Å; I32-F35 VanDerWaalsContact O-C 3.28Å; I32-F35 PolarHBondContact O-N 3.26Å; I32-F35 VanDerWaalsContact O-N 3.16Å; F35-N37 VanDerWaalsContact C-N 3.35Å; F35-N37 PolarHBondContact O-N 2.8Å; F35-E38 WeakPolarHBondContact CA-OE2 3.31Å; F35-E38 HydrophobicContact CB-CB 4.21Å; F35-E38 WeakPolarHBondContact CB-OE2 2.93Å; F35-T39 WeakPolarHBondContact O-CB 3.38Å; F35-T39 PolarHBondContact O-N 3.29Å; F35-T39 PolarHBondContact O-OG1 3.44Å; F35-L377 HydrophobicContact CB-CD2 3.96Å; F35-L377 HydrophobicContact CD2-CD2 4.41Å; F35-L380 HydrophobicContact CE1-CB 4.36Å; F35-L380 HydrophobicContact CE2-CB 4.31Å; F35-L380 HydrophobicContact CZ-CB 4.2Å; F35-K381 HydrophobicContact CE2-CB 4.1Å; F35-K381 HydrophobicContact CZ-CB 4.48Å; F35-R384 HydrophobicContact CZ-CB 4.5Å
36P92.7Very high91.9Very high54 Ų5464.6 Ų64.635%0.35133%0.328SS..Hα-helixtrans-66.3-36.1-172.925-34000112.7L15 I32 K40L15-P36 HydrophobicContact CD1-CB 4.32Å; I32-P36 WeakPolarHBondContact O-CA 3.37Å; P36-K40 PolarHBondContact O-N 2.91Å
37N91.8Very high91.7Very high115 Ų11562.4 Ų62.462%0.61531%0.313SS*.Hα-helixtrans-73.6-44.1-177.5-70.2-28.6000111.7F35 T39 K40 Q41F35-N37 VanDerWaalsContact C-N 3.35Å; F35-N37 PolarHBondContact O-N 2.8Å; N37-T39 VanDerWaalsContact C-N 3.3Å; N37-K40 PolarHBondContact O-N 2.98Å; N37-Q41 WeakPolarHBondContact O-CG 3.45Å; N37-Q41 PolarHBondContact O-N 2.89Å
38E93.9Very high91.3Very high69 Ų6963 Ų6332%0.32232%0.319SS..Hα-helixtrans-65.2-38.7177.6-61.778.8-178.700110.4F35 Q41 F42 Y376 L380F35-E38 WeakPolarHBondContact CA-OE2 3.31Å; F35-E38 HydrophobicContact CB-CB 4.21Å; F35-E38 WeakPolarHBondContact CB-OE2 2.93Å; E38-Q41 PolarHBondContact O-N 3.07Å; E38-F42 VanDerWaalsContact O-CB 3.32Å; E38-F42 WeakPolarHBondContact O-CB 3.27Å; E38-F42 PolarHBondContact O-N 3.2Å; E38-Y376 HydrophobicContact CB-CE1 4.1Å; E38-L380 HydrophobicContact CB-CD1 3.76Å; E38-L380 HydrophobicContact CG-CD1 3.91Å
39T93.7Very high90.7Very high2 Ų265.9 Ų65.91%0.01234%0.339CS..Hα-helixtrans-58.6-49.5171.8-58.90000110.9I32 F35 N37 Q41 F42 I43 L373I32-T39 HydrophobicContact CG1-CG2 4.08Å; I32-T39 HydrophobicContact CG2-CG2 4.12Å; F35-T39 WeakPolarHBondContact O-CB 3.38Å; F35-T39 PolarHBondContact O-N 3.29Å; F35-T39 PolarHBondContact O-OG1 3.44Å; N37-T39 VanDerWaalsContact C-N 3.3Å; T39-Q41 PolarHBondContact O-N 3.13Å; T39-F42 PolarHBondContact O-N 3.01Å; T39-I43 HydrophobicContact CG2-CD1 3.89Å; T39-I43 WeakPolarHBondContact O-CG1 2.93Å; T39-I43 PolarHBondContact O-N 3.42Å; T39-L373 HydrophobicContact CG2-CD1 4.17Å; T39-L373 HydrophobicContact CG2-CD2 4.28Å
40K90.9Very high89.6Confident53 Ų5369.3 Ų69.323%0.2335%0.35CS..Hα-helixtrans-60.1-44.9178.4-172172.3-175.21690112E14 L15 P36 N37 I43 L44E14-K40 IonicContact OE2-NZ 2.8Å; E14-K40 PolarHBondContact OE2-NZ 3.28Å; L15-K40 HydrophobicContact CD1-CB 4.39Å; L15-K40 HydrophobicContact CD1-CD 4.41Å; P36-K40 PolarHBondContact O-N 2.91Å; N37-K40 PolarHBondContact O-N 2.98Å; K40-I43 PolarHBondContact O-N 3.21Å; K40-L44 HydrophobicContact CG-CD1 4.32Å; K40-L44 WeakPolarHBondContact O-CG 3.03Å; K40-L44 PolarHBondContact O-N 3.29Å
41Q91.9Very high88.2Confident130 Ų13072 Ų7261%0.60736%0.359SS*.Hα-helixtrans-63.5-41177.9-73.8-69.2-900112.3N37 E38 T39 L44 K45N37-Q41 WeakPolarHBondContact O-CG 3.45Å; N37-Q41 PolarHBondContact O-N 2.89Å; E38-Q41 PolarHBondContact O-N 3.07Å; T39-Q41 PolarHBondContact O-N 3.13Å; Q41-L44 PolarHBondContact O-N 3.01Å; Q41-K45 WeakPolarHBondContact O-CB 3.48Å; Q41-K45 PolarHBondContact O-N 3.1Å
42F93.6Very high86.5Confident35 Ų3578.7 Ų78.715%0.15440%0.395CS..Hα-helixtrans-64.8-45.2178.2-169.9-94.4000111.8E38 T39 L44 K45 L46 L372 L373 Y376E38-F42 VanDerWaalsContact O-CB 3.32Å; E38-F42 WeakPolarHBondContact O-CB 3.27Å; E38-F42 PolarHBondContact O-N 3.2Å; T39-F42 PolarHBondContact O-N 3.01Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 3.06Å; F42-K45 PolarHBondContact O-N 3.29Å; F42-L46 HydrophobicContact CD1-CD1 3.71Å; F42-L46 HydrophobicContact CD1-CG 4.1Å; F42-L46 HydrophobicContact CE1-CD1 3.42Å; F42-L46 VanDerWaalsContact CE1-CD1 3.42Å; F42-L46 HydrophobicContact CE1-CD2 4.33Å; F42-L46 HydrophobicContact CE1-CG 3.82Å; F42-L46 HydrophobicContact CZ-CD1 4.37Å; F42-L46 HydrophobicContact CZ-CG 4.39Å; F42-L46 PolarHBondContact O-N 3.3Å; F42-L372 HydrophobicContact CE1-CB 4.32Å; F42-L372 HydrophobicContact CZ-CB 4.07Å; F42-L373 HydrophobicContact CB-CD1 4.2Å; F42-L373 HydrophobicContact CD1-CB 4.12Å; F42-L373 HydrophobicContact CD1-CD1 3.58Å; F42-L373 HydrophobicContact CD1-CG 4.44Å; F42-L373 HydrophobicContact CE1-CB 3.94Å; F42-L373 HydrophobicContact CE1-CD1 4.22Å; F42-L373 HydrophobicContact CG-CD1 4.09Å; F42-Y376 HydrophobicContact CB-CD1 4.12Å; F42-Y376 HydrophobicContact CB-CE1 3.99Å; F42-Y376 AromaticContact CD2-CD1 3.61Å; F42-Y376 HydrophobicContact CD2-CD1 3.61Å; F42-Y376 HydrophobicContact CD2-CD2 4.13Å; F42-Y376 AromaticContact CD2-CE1 3.93Å; F42-Y376 HydrophobicContact CD2-CE1 3.93Å; F42-Y376 HydrophobicContact CD2-CE2 4.43Å; F42-Y376 AromaticContact CD2-CG 3.71Å; F42-Y376 HydrophobicContact CD2-CG 3.71Å; F42-Y376 HydrophobicContact CE2-CD1 4.19Å; F42-Y376 HydrophobicContact CE2-CD2 4.22Å; F42-Y376 AromaticContact CE2-CG 3.84Å; F42-Y376 HydrophobicContact CE2-CG 3.84Å; F42-Y376 AromaticContact CG-CD1 3.92Å; F42-Y376 HydrophobicContact CG-CD1 3.92Å; F42-Y376 HydrophobicContact CG-CE1 4.22Å; F42-Y376 HydrophobicContact CG-CG 4.4Å
43I90.6Very high85Confident10 Ų1086 Ų865%0.05143%0.426CS..Hα-helixtrans-61.4-42.4176.8-66.1169.9000110.7L18 T39 K40 K45 L46 R47 L365L18-I43 HydrophobicContact CD1-CD1 4.5Å; L18-I43 HydrophobicContact CD1-CG2 4.37Å; T39-I43 HydrophobicContact CG2-CD1 3.89Å; T39-I43 WeakPolarHBondContact O-CG1 2.93Å; T39-I43 PolarHBondContact O-N 3.42Å; K40-I43 PolarHBondContact O-N 3.21Å; I43-K45 VanDerWaalsContact C-N 3.35Å; I43-K45 PolarHBondContact O-N 2.97Å; I43-L46 PolarHBondContact O-N 3.38Å; I43-R47 WeakPolarHBondContact O-CG 3.47Å; I43-R47 PolarHBondContact O-N 3.47Å; I43-L365 HydrophobicContact CD1-CD1 4.22Å; I43-L365 HydrophobicContact CG1-CD1 4.3Å
44L88.2Confident83.2Confident73 Ų7382.8 Ų82.838%0.38242%0.422SS..Hα-helixtrans-61.4-43.1175.1-76.3168.8000111.8K40 Q41 F42 R47 N48K40-L44 HydrophobicContact CG-CD1 4.32Å; K40-L44 WeakPolarHBondContact O-CG 3.03Å; K40-L44 PolarHBondContact O-N 3.29Å; Q41-L44 PolarHBondContact O-N 3.01Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 3.06Å; L44-R47 PolarHBondContact O-N 3.11Å; L44-N48 WeakPolarHBondContact O-CB 3.4Å; L44-N48 VanDerWaalsContact O-CG 3.25Å; L44-N48 PolarHBondContact O-N 3.08Å; L44-N48 PolarHBondContact O-ND2 3.48Å
45K91.3Very high81.3Confident159 Ų15986.8 Ų86.869%0.69144%0.439SS*.Hα-helixtrans-65.3-40.5178.6-166.4174.3-177.4179.20112.1Q41 F42 I43 N48 S49Q41-K45 WeakPolarHBondContact O-CB 3.48Å; Q41-K45 PolarHBondContact O-N 3.1Å; F42-K45 PolarHBondContact O-N 3.29Å; I43-K45 VanDerWaalsContact C-N 3.35Å; I43-K45 PolarHBondContact O-N 2.97Å; K45-N48 PolarHBondContact O-N 3.32Å; K45-S49 WeakPolarHBondContact O-CB 3.4Å; K45-S49 PolarHBondContact O-N 3.12Å
46L87.3Confident79.3Confident27 Ų2793.5 Ų93.514%0.14148%0.475CS..Hα-helixtrans-59.1-49.4173.9-80.6175.7000111.2F42 I43 N48 S49 H50 L365 E369F42-L46 HydrophobicContact CD1-CD1 3.71Å; F42-L46 HydrophobicContact CD1-CG 4.1Å; F42-L46 HydrophobicContact CE1-CD1 3.42Å; F42-L46 VanDerWaalsContact CE1-CD1 3.42Å; F42-L46 HydrophobicContact CE1-CD2 4.33Å; F42-L46 HydrophobicContact CE1-CG 3.82Å; F42-L46 HydrophobicContact CZ-CD1 4.37Å; F42-L46 HydrophobicContact CZ-CG 4.39Å; F42-L46 PolarHBondContact O-N 3.3Å; I43-L46 PolarHBondContact O-N 3.38Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.85Å; L46-S49 PolarHBondContact O-N 2.93Å; L46-S49 PolarHBondContact O-OG 3.06Å; L46-H50 PolarHBondContact O-N 3.36Å; L46-L365 HydrophobicContact CD1-CD2 4.22Å; L46-E369 HydrophobicContact CD1-CB 4.05Å; L46-E369 HydrophobicContact CD1-CG 4.36Å
47R85.6Confident77.4Confident124 Ų12498.6 Ų98.647%0.46850%0.499SS..Hα-helixtrans-61-41.4179.1-72.9179176.7176.2-0.4112.6I43 L44 H50I43-R47 WeakPolarHBondContact O-CG 3.47Å; I43-R47 PolarHBondContact O-N 3.47Å; L44-R47 PolarHBondContact O-N 3.11Å; R47-H50 PolarHBondContact O-N 3.31Å
48N84.3Confident75.1Confident97 Ų9798.3 Ų98.352%0.51950%0.504SS..Hα-helixtrans-70.5-36179.3-68.1-14.3000112.4L44 K45 L46 H50 L51L44-N48 WeakPolarHBondContact O-CB 3.4Å; L44-N48 VanDerWaalsContact O-CG 3.25Å; L44-N48 PolarHBondContact O-N 3.08Å; L44-N48 PolarHBondContact O-ND2 3.48Å; K45-N48 PolarHBondContact O-N 3.32Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 2.85Å; N48-H50 PolarHBondContact O-N 2.96Å; N48-L51 WeakPolarHBondContact O-CB 3.33Å; N48-L51 PolarHBondContact O-N 3.08Å; N48-L51 VanDerWaalsContact O-N 3.12Å
49S81.1Confident73Confident65 Ų65102.2 Ų102.246%0.45553%0.526SS..Hα-helixtrans-64.3-21.2179.2740000114K45 L46K45-S49 WeakPolarHBondContact O-CB 3.4Å; K45-S49 PolarHBondContact O-N 3.12Å; L46-S49 PolarHBondContact O-N 2.93Å; L46-S49 PolarHBondContact O-OG 3.06Å
50H69.4Low70.6Confident115 Ų115111.4 Ų111.453%0.53257%0.566SS.*THydrogen-bonded Turntrans-81.7-15.8178.9-143.4-58.6000112.7L46 R47 N48L46-H50 PolarHBondContact O-N 3.36Å; R47-H50 PolarHBondContact O-N 3.31Å; N48-H50 PolarHBondContact O-N 2.96Å
51L61.3Low68.5Low120 Ų120117 Ų11763%0.62859%0.593SS**THydrogen-bonded Turntrans-76.4-29.7178.9-79.3159000112.6N48 K53 S54N48-L51 WeakPolarHBondContact O-CB 3.33Å; N48-L51 PolarHBondContact O-N 3.08Å; N48-L51 VanDerWaalsContact O-N 3.12Å; L51-K53 PolarHBondContact O-N 3.31Å; L51-S54 PolarHBondContact O-OG 3.04Å
52D59Low66.2Low145 Ų145117.5 Ų117.578%0.77560%0.6SS**G310 helixtrans-82.6-7.1-175.3-69.1-26000114.5S54D52-S54 PolarHBondContact O-N 2.87Å
53K60.5Low64.2Low170 Ų170121.1 Ų121.174%0.73963%0.629SS**G310 helixtrans-899.5-177.8-76.3-178.2178.3175.70115.1L51L51-K53 PolarHBondContact O-N 3.31Å
54S54.2Low62.2Low96 Ų96129.9 Ų129.967%0.67167%0.667SS**G310 helixtrans-96.15.1-173.762.20000116.5L51 D52L51-S54 PolarHBondContact O-OG 3.04Å; D52-S54 PolarHBondContact O-N 2.87Å
55N52Low60.1Low151 Ų151134.3 Ų134.381%0.80769%0.691SS**  trans-122.178.3174.1-71.9-30.8000111.5
56N51.4Low58Low153 Ų153134.7 Ų134.782%0.81870%0.695SS**  trans-123.289.4164.4-82.8-40000108.5
57D53.3Low55.7Low161 Ų161141.9 Ų141.986%0.86173%0.733SS**  trans-101.5114.8164.6-136.8-6000107.2L59D57-L59 PolarHBondContact O-N 3.49Å
58P44.3Very low53.7Low110 Ų110144 Ų14471%0.71475%0.748SS**  trans-97.193.8-172.134.8-28.2000110.3
59L48.5Very low51.7Low150 Ų150150.3 Ų150.379%0.78576%0.764SS**  trans-151.8125.3164.7-103.1123.2000113.6D57D57-L59 PolarHBondContact O-N 3.49Å
60K44.8Very low49.9Very low196 Ų196152.8 Ų152.885%0.85278%0.78SS**  trans94.694.6157.1-65.1-177.9176178.40118.8
61Q46.1Very low48.5Very low170 Ų170155.2 Ų155.279%0.79480%0.796SS**  trans-43.9153.6156.3-66.3174.9-22.300116.1
62N44.6Very low47.8Very low141 Ų141155.3 Ų155.375%0.75480%0.802SS**  trans79.996.5149-56.8-22.4000118.9
63S50.2Low47Very low111 Ų111155.9 Ų155.978%0.77681%0.805SS**  172.9133.4106.149.10000113.7
64K49Very low46.2Very low194 Ų194154.9 Ų154.984%0.84381%0.807SS**  trans61.495.8145.1-66.6175.5179.1176.60119.4Q66K64-Q66 PolarHBondContact O-N 2.86Å
65N44.6Very low45.3Very low166 Ų166157.4 Ų157.489%0.88881%0.813SS**  31.288.7122.5-61.6-9.9000117.4
66Q46.1Very low44.9Very low167 Ų167156.9 Ų156.978%0.7882%0.815SS**  trans-142.6107.3142.8-109.8178.719.500109K64 H68K64-Q66 PolarHBondContact O-N 2.86Å; Q66-H68 PolarHBondContact O-N 3.37Å
67L40.3Very low44.4Very low177 Ų177158.6 Ų158.693%0.92782%0.818SS**  trans-66.190.2173.8-79.1158.1000109.4R69L67-R69 VanDerWaalsContact C-N 3.25Å; L67-R69 PolarHBondContact O-N 2.79Å; L67-R69 VanDerWaalsContact O-N 3.09Å
68H43.4Very low44Very low168 Ų168154 Ų15478%0.77880%0.803SS**  trans-77.388.1156.3-80.4-79.3000108Q66 C70Q66-H68 PolarHBondContact O-N 3.37Å; H68-C70 PolarHBondContact O-N 2.88Å; H68-C70 VanDerWaalsContact O-N 3.11Å
69R41.6Very low44.3Very low230 Ų230154.5 Ų154.587%0.86881%0.806SS**  trans-61.8109.3171.3-149.7176.8-164.9167.32.2107.7L67 L71L67-R69 VanDerWaalsContact C-N 3.25Å; L67-R69 PolarHBondContact O-N 2.79Å; L67-R69 VanDerWaalsContact O-N 3.09Å; R69-L71 PolarHBondContact O-N 3.16Å
70C42.2Very low43.9Very low117 Ų117156.6 Ų156.679%0.79181%0.809SS**  trans-54.1119.9169.6-145.90000108.4H68 T72H68-C70 PolarHBondContact O-N 2.88Å; H68-C70 VanDerWaalsContact O-N 3.11Å; C70-T72 PolarHBondContact O-N 2.89Å; C70-T72 VanDerWaalsContact O-N 3.09Å
71L40.8Very low43.7Very low166 Ų166151.5 Ų151.587%0.86980%0.798SS**  trans-68.2103.9175.8-72.4167.5000108.5R69R69-L71 PolarHBondContact O-N 3.16Å
72T47.1Very low43.6Very low123 Ų123150.3 Ų150.376%0.75580%0.802SS**  trans-76.8123.7166480000108.8C70 L74C70-T72 PolarHBondContact O-N 2.89Å; C70-T72 VanDerWaalsContact O-N 3.09Å; T72-L74 PolarHBondContact O-N 3.45Å
73N42.7Very low43.5Very low157 Ų157147.4 Ų147.484%0.8479%0.793SS**  trans-63.392.1170.7-64.5-48.9000110.1
74L43.5Very low43.2Very low148 Ų148148.4 Ų148.478%0.77580%0.795SS**  trans-155.4133.4160.2-113.385.9000105.8T72T72-L74 PolarHBondContact O-N 3.45Å
75D35.5Very low43Very low150 Ų150145.1 Ų145.180%0.80279%0.791SS**  trans78.375175.4-49.5-24.2000117.7
76V43.2Very low42.9Very low139 Ų139147.5 Ų147.584%0.84279%0.789SS**  trans-125.784.2148.4-176.90000107.8A78V76-A78 PolarHBondContact O-N 3.24Å
77E41.1Very low42.6Very low190 Ų190150 Ų15089%0.88879%0.792SS**  trans-63.8110.6155.1-76.8-172151.300107.8P79E77-P79 WeakPolarHBondContact O-CD 3.45Å
78A44.8Very low42.7Very low65 Ų65148.6 Ų148.654%0.53779%0.785SS.*  trans-96.4111.7167.100000108.6V76 F80V76-A78 PolarHBondContact O-N 3.24Å; A78-F80 HydrophobicContact CB-CD2 4.41Å; A78-F80 HydrophobicContact CB-CE2 4.29Å; A78-F80 PolarHBondContact O-N 3.34Å
79P50.7Low42.8Very low119 Ų119145.9 Ų145.977%0.77378%0.78SS**  trans-80.1100.1163.231.4-26.4000107.2E77 S81E77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-S81 PolarHBondContact O-N 2.78Å
80F39.5Very low42.7Very low195 Ų195143 Ų14386%0.85577%0.774SS**  trans-68.288.6158.4-78.3-83.3000107.8A78A78-F80 HydrophobicContact CB-CD2 4.41Å; A78-F80 HydrophobicContact CB-CE2 4.29Å; A78-F80 PolarHBondContact O-N 3.34Å
81S40.5Very low42.8Very low89 Ų89142.9 Ų142.962%0.62277%0.773SS**  trans-85.7106.2165.1-172.20000108.7P79 S83P79-S81 PolarHBondContact O-N 2.78Å; S81-S83 VanDerWaalsContact C-N 3.26Å; S81-S83 PolarHBondContact O-N 3.39Å; S81-S83 PolarHBondContact OG-OG 2.71Å
82T44.9Very low42.8Very low144 Ų144142.4 Ų142.488%0.88377%0.766SS**  trans-6980.7165.449.20000109.6
83S42.1Very low42.6Very low80 Ų80146.7 Ų146.756%0.55977%0.769SS**  trans-165.259.817244.70000111.4S81 T85S81-S83 VanDerWaalsContact C-N 3.26Å; S81-S83 PolarHBondContact O-N 3.39Å; S81-S83 PolarHBondContact OG-OG 2.71Å; S83-T85 PolarHBondContact O-N 2.8Å
84T43.4Very low42.6Very low132 Ų132145.3 Ų145.381%0.8177%0.766SS**  trans-7782.3163.751.70000109.1Y86T84-Y86 PolarHBondContact O-N 3.16Å; T84-Y86 VanDerWaalsContact O-N 3.15Å
85T44.1Very low43Very low126 Ų126143.9 Ų143.977%0.77376%0.759SS**  trans-63108.3160.4-610000107.5S83 R87S83-T85 PolarHBondContact O-N 2.8Å; T85-R87 PolarHBondContact O-N 3.04Å
86Y43.2Very low43.5Very low216 Ų216144 Ų14485%0.84776%0.76SS**  trans-56.798.4169.2-104.2-99.7000109.1T84 N88T84-Y86 PolarHBondContact O-N 3.16Å; T84-Y86 VanDerWaalsContact O-N 3.15Å; Y86-N88 PolarHBondContact O-N 3.48Å
87R40.9Very low43.8Very low220 Ų220143.9 Ų143.983%0.8375%0.754SS**  trans-85.589.7169.9-158.9175.8-175.3166.21.1108.1T85 T89T85-R87 PolarHBondContact O-N 3.04Å; R87-T89 HydrophobicContact CG-CG2 4.38Å; R87-T89 PolarHBondContact O-N 3.34Å; R87-T89 VanDerWaalsContact O-N 3.1Å
88N42.3Very low44.1Very low146 Ų146140.8 Ų140.878%0.78174%0.744SS**  trans-50112.3163.7-111.6-10000108.7Y86Y86-N88 PolarHBondContact O-N 3.48Å
89T43.7Very low44.2Very low111 Ų111144.5 Ų144.568%0.68176%0.755SS**  trans-116.364.6170.844.90000109R87 C91R87-T89 HydrophobicContact CG-CG2 4.38Å; R87-T89 PolarHBondContact O-N 3.34Å; R87-T89 VanDerWaalsContact O-N 3.1Å; T89-C91 PolarHBondContact O-N 3.41Å
90F39.6Very low44.1Very low171 Ų171146 Ų14675%0.7576%0.757SS**  trans-87.984.1158-116.9-90.2000107.2H92F90-H92 AromaticContact CD1-CD2 3.82Å; F90-H92 AromaticContact CD1-NE2 3.59Å; F90-H92 AromaticContact CE1-NE2 3.44Å; F90-H92 WeakPolarHBondContact CE1-NE2 3.3Å
91C46.1Very low44.7Very low114 Ų114142.1 Ų142.177%0.7775%0.749SS**  trans-106.393.9167.3-67.20000107.8T89 R93T89-C91 PolarHBondContact O-N 3.41Å; C91-R93 PolarHBondContact O-N 2.79Å
92H39.7Very low45.3Very low156 Ų156144.4 Ų144.472%0.72275%0.754SS**  trans-65.4109.8158.2-77.3-74.7000107.6F90F90-H92 AromaticContact CD1-CD2 3.82Å; F90-H92 AromaticContact CD1-NE2 3.59Å; F90-H92 AromaticContact CE1-NE2 3.44Å; F90-H92 WeakPolarHBondContact CE1-NE2 3.3Å
93R42.6Very low45.5Very low213 Ų213146.2 Ų146.280%0.80475%0.752SS**  trans-103.496.3169.6-162.2173.8-177175.83.5107.8C91 D95C91-R93 PolarHBondContact O-N 2.79Å; R93-D95 WeakPolarHBondContact CG-OD2 3.43Å; R93-D95 IonicContact CZ-OD2 3.49Å; R93-D95 IonicContact NE-OD2 2.77Å; R93-D95 PolarHBondContact NE-OD2 3.46Å; R93-D95 IonicContact NH2-OD2 3.43Å; R93-D95 PolarHBondContact NH2-OD2 3.01Å
94T43.3Very low45.8Very low127 Ų127148.2 Ų148.278%0.77977%0.766SS**  trans-94.286.416946.60000107.8
95D52.4Low46.3Very low118 Ų118147.2 Ų147.263%0.63177%0.765SS**  trans-105.5100.2170.5-70-19.9000108.1R93R93-D95 WeakPolarHBondContact CG-OD2 3.43Å; R93-D95 IonicContact CZ-OD2 3.49Å; R93-D95 IonicContact NE-OD2 2.77Å; R93-D95 PolarHBondContact NE-OD2 3.46Å; R93-D95 IonicContact NH2-OD2 3.43Å; R93-D95 PolarHBondContact NH2-OD2 3.01Å
96N46Very low46.7Very low152 Ų152151.6 Ų151.681%0.81377%0.773SS**  trans-70.6144.6161.6-97-17.5000109.3
97N48.4Very low47.4Very low137 Ų137147 Ų14773%0.73377%0.767SS**  trans85.1120.1155.5-75.1-7.9000120.7
98N47.7Very low48.1Very low125 Ų125141.9 Ų141.967%0.66877%0.765SS**  trans91.395.3134-64.3-10.3000118.7
99N47.9Very low49.1Very low143 Ų143142.4 Ų142.477%0.76577%0.766SS**  55.9121.8121.1-62.3-14.2000119
100N48.1Very low50.1Low152 Ų152140.3 Ų140.381%0.81377%0.767SS**  trans90.5118.2141.2-85.9-4.7000118.6
101V52Low51.3Low113 Ų113140.6 Ų140.669%0.68577%0.771SS**  trans110.3113.2133.9177.50000116.7
102N52.3Low52.4Low136 Ų136140.9 Ų140.973%0.72777%0.771SS**  trans74.298154-59.5-9.2000118.1
103E50.7Low53.9Low183 Ų183140.7 Ų140.786%0.85577%0.773SS**  66.2120.281.5-74.6-160.8158.500115.4
104S48Very low54.9Low121 Ų121137.9 Ų137.985%0.84677%0.774SS**  trans8365.2157.4710000120
105S53.2Low56Low112 Ų112141.5 Ų141.578%0.78377%0.773SS**  trans-162.282.3141.345.40000111.3V107S105-V107 VanDerWaalsContact C-N 3.32Å; S105-V107 PolarHBondContact O-N 3.4Å
106K51.9Low56.3Low217 Ų217146.4 Ų146.494%0.94379%0.789SS**  trans-71.890.1168.1-88.8-178.9176177.20108.7S108K106-S108 PolarHBondContact O-N 3.03Å; K106-S108 VanDerWaalsContact O-N 3.13Å
107V58.5Low57.2Low120 Ų120142.5 Ų142.573%0.72779%0.785SS**  trans-64.3108.7160178.40000106.3S105 I109S105-V107 VanDerWaalsContact C-N 3.32Å; S105-V107 PolarHBondContact O-N 3.4Å; V107-I109 PolarHBondContact O-N 3.48Å
108S55.7Low57.7Low113 Ų113144 Ų14479%0.7979%0.788SS**  trans-64.697.6171.5500000108.3K106 G110K106-S108 PolarHBondContact O-N 3.03Å; K106-S108 VanDerWaalsContact O-N 3.13Å; S108-G110 PolarHBondContact O-N 3.42Å
109I64.7Low58.4Low156 Ų156143.6 Ų143.680%0.878%0.783SS**  trans-62.4109.5167.7-61.6168.8000105.7V107 Q111V107-I109 PolarHBondContact O-N 3.48Å; I109-Q111 PolarHBondContact O-N 2.91Å; I109-Q111 VanDerWaalsContact O-N 3.1Å
110G62.8Low59.1Low68 Ų68140.8 Ų140.870%0.70177%0.773SS**PPolyproline II helixtrans-56.9116179.600000109.8S108S108-G110 PolarHBondContact O-N 3.42Å
111Q65.4Low59.7Low177 Ų177139.3 Ų139.383%0.82777%0.769SS**PPolyproline II helixtrans-63.6134.7171.7-71.9-174.9-25.800108.6I109 I113I109-Q111 PolarHBondContact O-N 2.91Å; I109-Q111 VanDerWaalsContact O-N 3.1Å; Q111-I113 PolarHBondContact O-N 3.23Å
112P69.2Low60Low119 Ų119142 Ų14277%0.77377%0.772SS**PPolyproline II helixtrans-60.5126.9171.525.4-32.1000108.8L114P112-L114 PolarHBondContact O-N 3.27Å
113I72Confident60.1Low152 Ų152137.7 Ų137.778%0.77975%0.75SS**  trans-66.5104174.2-62.3169.8000107.1Q111 R115Q111-I113 PolarHBondContact O-N 3.23Å; I113-R115 HydrophobicContact CG2-CG 4.4Å; I113-R115 PolarHBondContact O-N 3.48Å
114L63.5Low60.1Low154 Ų154133 Ų13381%0.80673%0.731SS**  trans-61.595.9167-93.8148.7000108.4P112 F116P112-L114 PolarHBondContact O-N 3.27Å; L114-F116 PolarHBondContact O-N 3.17Å
115R66.3Low60.5Low203 Ų203131.3 Ų131.377%0.76672%0.719SS**  trans-73.5114.9166.5-73.4-174.4174.8-172.8-0.9107.3I113 G117 E118I113-R115 HydrophobicContact CG2-CG 4.4Å; I113-R115 PolarHBondContact O-N 3.48Å; R115-G117 PolarHBondContact O-N 2.75Å; R115-E118 PolarHBondContact O-N 3.46Å
116F58.8Low60.9Low221 Ų221132.7 Ų132.797%0.96972%0.716SS**THydrogen-bonded Turntrans-62.828.4178.3-91.1-88.2000115.1L114L114-F116 PolarHBondContact O-N 3.17Å
117G64.9Low61.6Low70 Ų70127.8 Ų127.872%0.72270%0.7SS**THydrogen-bonded Turntrans-128-8.8-17900000115.5R115R115-G117 PolarHBondContact O-N 2.75Å
118E57.6Low61.8Low170 Ų170128.5 Ų128.579%0.79469%0.69SS**  trans-114.683.9178-71180-171.300109.2R115R115-E118 PolarHBondContact O-N 3.46Å
119M62.7Low62.1Low115 Ų115129.4 Ų129.457%0.56769%0.694SS**  trans-62.1129.6169.3-154.4167.865.600107.7V121 T123M119-V121 PolarHBondContact O-N 3.31Å; M119-T123 WeakPolarHBondContact CE-OG1 3.41Å; M119-T123 HydrophobicContact CG-CG2 4.2Å; M119-T123 WeakPolarHBondContact CG-OG1 3.49Å
120P62.9Low62.2Low85 Ų85125.6 Ų125.655%0.55269%0.692SS**  trans-53.7128.4177.4-22.230.8000109.3F122 T123P120-F122 PolarHBondContact O-N 3.17Å; P120-T123 PolarHBondContact O-N 3.25Å; P120-T123 PolarHBondContact O-OG1 3.22Å; P120-T123 VanDerWaalsContact O-OG1 3.07Å
121V61Low62.2Low120 Ų120128.6 Ų128.673%0.72769%0.688SS**G310 helixtrans-53.9-10.4-175.4-177.40000113.6M119M119-V121 PolarHBondContact O-N 3.31Å
122F58.7Low62Low171 Ų171125.4 Ų125.475%0.7569%0.685SS**G310 helixtrans-70.1-20.4173.3-67.3-79.2000115.2P120 S125P120-F122 PolarHBondContact O-N 3.17Å; F122-S125 PolarHBondContact O-OG 3.28Å
123T54.5Low61.5Low45 Ų45129.8 Ų129.828%0.27669%0.687SS.*G310 helixtrans-78.1-21.4-17749.40000113.7M119 P120 S125 I126M119-T123 WeakPolarHBondContact CE-OG1 3.41Å; M119-T123 HydrophobicContact CG-CG2 4.2Å; M119-T123 WeakPolarHBondContact CG-OG1 3.49Å; P120-T123 PolarHBondContact O-N 3.25Å; P120-T123 PolarHBondContact O-OG1 3.22Å; P120-T123 VanDerWaalsContact O-OG1 3.07Å; T123-S125 VanDerWaalsContact C-N 3.32Å; T123-S125 PolarHBondContact O-N 3.11Å; T123-I126 PolarHBondContact O-N 3.4Å
124D49.7Very low61.1Low83 Ų83132.8 Ų132.844%0.44469%0.688SS.*Hα-helixtrans-75.8-20.6-178.8-74.5-3.6000112.8I126D124-I126 VanDerWaalsContact C-N 3.34Å
125S56.7Low61Low87 Ų87133.4 Ų133.461%0.60869%0.691SS**Hα-helixtrans-77.6-20176.165.90000113.3F122 T123F122-S125 PolarHBondContact O-OG 3.28Å; T123-S125 VanDerWaalsContact C-N 3.32Å; T123-S125 PolarHBondContact O-N 3.11Å
126I62.4Low60.9Low140 Ų140129.2 Ų129.272%0.71868%0.68SS**Hα-helixtrans-88.6-35.7-179.7-58.1175.1000110.9T123 D124T123-I126 PolarHBondContact O-N 3.4Å; D124-I126 VanDerWaalsContact C-N 3.34Å
127L64.8Low61.5Low114 Ų114121.5 Ų121.560%0.59765%0.654SS**Hα-helixtrans-78-20.6-176.8-77.7162.8000113.8
128Y63.5Low61.8Low136 Ų136123.5 Ų123.553%0.53365%0.652SS.*  trans-135.476.9-176.2-59.1-78.7000112.7G130 Q131Y128-G130 PolarHBondContact O-N 2.98Å; Y128-Q131 PolarHBondContact O-N 3.44Å; Y128-Q131 VanDerWaalsContact O-N 3.16Å
129P62.3Low62.5Low132 Ų132119.2 Ų119.286%0.85764%0.638SS**THydrogen-bonded Turntrans-64.51-178.625.3-33.7000115.1
130G67.4Low62.7Low75 Ų75119.8 Ų119.877%0.77364%0.639SS**THydrogen-bonded Turntrans-117.6-3.8177.700000115.6Y128Y128-G130 PolarHBondContact O-N 2.98Å
131Q62.8Low63Low132 Ų132122.4 Ų122.462%0.61764%0.644SS**  trans-98.790.3175.3-88.9-178.2-13.500109.7Y128 R133Y128-Q131 PolarHBondContact O-N 3.44Å; Y128-Q131 VanDerWaalsContact O-N 3.16Å; Q131-R133 PolarHBondContact O-N 2.99Å
132S60Low63.6Low109 Ų109121.7 Ų121.776%0.76264%0.64SS**  trans-70.183.716872.10000109.4R134S132-R134 PolarHBondContact O-N 3.42Å
133R59.1Low64Low212 Ų212121.4 Ų121.480%0.864%0.639SS**  trans-67.396.9153.7-76.3-170.1-174.7-144.44105.7Q131 L135Q131-R133 PolarHBondContact O-N 2.99Å; R133-L135 PolarHBondContact O-N 3.41Å
134R63.8Low64.8Low214 Ų214124.6 Ų124.681%0.80866%0.658SS**  trans-55.2109.2167.7-85.1-177.2166.2160.5-3.8106.4S132 Q136S132-R134 PolarHBondContact O-N 3.42Å; R134-Q136 HydrophobicContact CB-CG 4.3Å; R134-Q136 PolarHBondContact O-N 3.4Å
135L61.1Low65.8Low167 Ų167129.3 Ų129.387%0.87468%0.677SS**  trans-65.786.3165.4-72.8167000106.2R133 S137R133-L135 PolarHBondContact O-N 3.41Å; L135-S137 PolarHBondContact O-N 2.9Å
136Q64Low66.7Low115 Ų115134.1 Ų134.154%0.53769%0.687SS.*  trans-76.8111.3168.2-72.3-171.2-37.600106.5R134R134-Q136 HydrophobicContact CB-CG 4.3Å; R134-Q136 PolarHBondContact O-N 3.4Å
137S70.8Confident66.6Low59 Ų59132.7 Ų132.741%0.41369%0.687SS.*  trans-67147168.669.10000108.4L135 T139 H140L135-S137 PolarHBondContact O-N 2.9Å; S137-T139 WeakPolarHBondContact CB-OG1 3.5Å; S137-T139 PolarHBondContact O-N 3.18Å; S137-T139 VanDerWaalsContact O-N 3.1Å; S137-T139 PolarHBondContact OG-OG1 3.49Å; S137-H140 WeakPolarHBondContact O-CB 3.28Å; S137-H140 PolarHBondContact O-N 3.44Å; S137-H140 PolarHBondContact OG-N 3.41Å
138T72Confident66.3Low112 Ų112135.9 Ų135.969%0.68770%0.703SS**Hα-helixtrans-56.6-26.3172.848.60000112H140 E141 T142T138-H140 VanDerWaalsContact C-N 3.33Å; T138-E141 PolarHBondContact O-N 3.05Å; T138-T142 PolarHBondContact O-N 3.47Å; T138-T142 VanDerWaalsContact O-N 3.11Å; T138-T142 PolarHBondContact O-OG1 3.04Å
139T72.1Confident65.5Low80 Ų80134.8 Ų134.849%0.49172%0.716SS.*Hα-helixtrans-66.5-29.6172.244.10000113.5S137 T142 F143S137-T139 WeakPolarHBondContact CB-OG1 3.5Å; S137-T139 PolarHBondContact O-N 3.18Å; S137-T139 VanDerWaalsContact O-N 3.1Å; S137-T139 PolarHBondContact OG-OG1 3.49Å; T139-T142 WeakPolarHBondContact CA-OG1 3.42Å; T139-F143 WeakPolarHBondContact O-CB 3.33Å; T139-F143 PolarHBondContact O-N 2.95Å
140H67.5Low64.7Low127 Ų127131.2 Ų131.259%0.58870%0.703SS**Hα-helixtrans-73.9-29.6177.4-16567.5000112.6S137 T138S137-H140 WeakPolarHBondContact O-CB 3.28Å; S137-H140 PolarHBondContact O-N 3.44Å; S137-H140 PolarHBondContact OG-N 3.41Å; T138-H140 VanDerWaalsContact C-N 3.33Å
141E68.2Low63.4Low140 Ų140135.1 Ų135.165%0.65471%0.706SS**Hα-helixtrans-80.7-31.5172.2-81.4-173.5152.400113.2T138T138-E141 PolarHBondContact O-N 3.05Å
142T73.3Confident62.6Low106 Ų106137.9 Ų137.965%0.6572%0.716SS**Hα-helixtrans-87-25.8-177.536.30000113.9T138 T139T138-T142 PolarHBondContact O-N 3.47Å; T138-T142 VanDerWaalsContact O-N 3.11Å; T138-T142 PolarHBondContact O-OG1 3.04Å; T139-T142 WeakPolarHBondContact CA-OG1 3.42Å
143F68.6Low61.7Low165 Ų165143.3 Ų143.372%0.72472%0.719SS**  trans-108.458.8176.5-70.6-91.4000111.5T139 E145T139-F143 WeakPolarHBondContact O-CB 3.33Å; T139-F143 PolarHBondContact O-N 2.95Å; F143-E145 PolarHBondContact O-N 3.45Å
144V70.1Confident61.2Low111 Ų111138.4 Ų138.467%0.67371%0.708SS**  trans-67.5117.5164.1-175.20000107.1K146V144-K146 PolarHBondContact O-N 3Å
145E72.1Confident60.3Low183 Ų183135.2 Ų135.286%0.85570%0.702SS**  trans-49.3111.4174.4-73.5-178.9168.500108.9F143 P147F143-E145 PolarHBondContact O-N 3.45Å; E145-P147 WeakPolarHBondContact O-CD 3.32Å
146K74Confident59.5Low188 Ų188136.5 Ų136.582%0.81770%0.697SS**  trans-63.4124.5171.4-87.2178.1175.6174.90106.8V144 L148V144-K146 PolarHBondContact O-N 3Å; K146-L148 PolarHBondContact O-N 3.27Å; K146-L148 VanDerWaalsContact O-N 3.1Å
147P60.3Low58.5Low110 Ų110141.7 Ų141.771%0.71471%0.712SS**  trans-57.6124.3170.623.8-30.7000107.3E145 S149E145-P147 WeakPolarHBondContact O-CD 3.32Å; P147-S149 PolarHBondContact O-N 3.48Å
148L58.9Low57.3Low180 Ų180147.9 Ų147.994%0.94273%0.734SS**  trans-6871.5171.3-71.7166.6000108.2K146 G150K146-L148 PolarHBondContact O-N 3.27Å; K146-L148 VanDerWaalsContact O-N 3.1Å; L148-G150 PolarHBondContact O-N 2.88Å
149S46.8Very low56.2Low113 Ų113149.2 Ų149.279%0.7974%0.737SS**  trans-82.495.1172.560.20000108.1P147P147-S149 PolarHBondContact O-N 3.48Å
150G45Very low54.7Low58 Ų58152.3 Ų152.360%0.59875%0.751SS**SBendtrans116.2128.5168.500000113.1L148L148-G150 PolarHBondContact O-N 2.88Å
151L41.8Very low53.9Low157 Ų157154.4 Ų154.482%0.82277%0.765SS**SBendtrans71.384.7178.9-65.8121.5000114.3
152F44.5Very low52.6Low190 Ų190153.6 Ų153.683%0.83377%0.77SS**  17281.7122.7-77.7-60.7000106.1I154F152-I154 VanDerWaalsContact C-N 3.27Å; F152-I154 HydrophobicContact CB-CG1 4.49Å; F152-I154 PolarHBondContact O-N 3.29Å
153R41.6Very low51.2Low222 Ų222153 Ų15384%0.83877%0.77SS**  trans-74.988.2166.5-170.6-177.8-164.1-179.12.6106.6E155R153-E155 HydrophobicContact CG-CG 4.28Å; R153-E155 IonicContact CZ-OE1 2.71Å; R153-E155 IonicContact NE-OE1 3.39Å; R153-E155 PolarHBondContact O-N 3.47Å
154I49Very low49.9Very low110 Ų110150.6 Ų150.656%0.56477%0.769SS**  trans-78.999.7167.7-56.9177.5000105.7F152 Y156F152-I154 VanDerWaalsContact C-N 3.27Å; F152-I154 HydrophobicContact CB-CG1 4.49Å; F152-I154 PolarHBondContact O-N 3.29Å; I154-Y156 HydrophobicContact CB-CD2 4.38Å; I154-Y156 HydrophobicContact CB-CE2 3.94Å; I154-Y156 HydrophobicContact CG2-CD2 3.85Å; I154-Y156 HydrophobicContact CG2-CE1 4.21Å; I154-Y156 HydrophobicContact CG2-CE2 3.43Å; I154-Y156 VanDerWaalsContact CG2-CE2 3.43Å; I154-Y156 HydrophobicContact CG2-CG 4.4Å; I154-Y156 PolarHBondContact O-N 2.93Å; I154-Y156 VanDerWaalsContact O-N 3.09Å
155E44.3Very low48.7Very low146 Ų146154.5 Ų154.568%0.68278%0.778SS**  trans-68.699.3167.8-69.7-169.9168.100108.3R153 R157R153-E155 HydrophobicContact CG-CG 4.28Å; R153-E155 IonicContact CZ-OE1 2.71Å; R153-E155 IonicContact NE-OE1 3.39Å; R153-E155 PolarHBondContact O-N 3.47Å; E155-R157 PolarHBondContact O-N 2.98Å
156Y45.7Very low47.4Very low194 Ų194156.3 Ų156.376%0.76178%0.777SS**  trans-77107.3162.2-70.3-82.2000107.7I154 E158I154-Y156 HydrophobicContact CB-CD2 4.38Å; I154-Y156 HydrophobicContact CB-CE2 3.94Å; I154-Y156 HydrophobicContact CG2-CD2 3.85Å; I154-Y156 HydrophobicContact CG2-CE1 4.21Å; I154-Y156 HydrophobicContact CG2-CE2 3.43Å; I154-Y156 VanDerWaalsContact CG2-CE2 3.43Å; I154-Y156 HydrophobicContact CG2-CG 4.4Å; I154-Y156 PolarHBondContact O-N 2.93Å; I154-Y156 VanDerWaalsContact O-N 3.09Å; Y156-E158 PolarHBondContact O-N 3.38Å
157R41.8Very low45.8Very low225 Ų225152 Ų15285%0.84977%0.77SS**  trans-65108.6161.3-92.2-177.7173.1170.1-2.8108E155 N159E155-R157 PolarHBondContact O-N 2.98Å; R157-N159 PolarHBondContact O-N 2.96Å
158E46.7Very low45.2Very low188 Ų188154.5 Ų154.588%0.87978%0.777SS**  trans-64.7109.2161.2-77.2-179.9150.100108Y156Y156-E158 PolarHBondContact O-N 3.38Å
159N48.1Very low44.8Very low141 Ų141149.7 Ų149.775%0.75476%0.763SS**  trans-91.8117.2163-76.2-21.8000107.8R157 L161R157-N159 PolarHBondContact O-N 2.96Å; N159-L161 PolarHBondContact O-N 3.43Å
160D41.4Very low44.9Very low145 Ų145153.2 Ų153.278%0.77577%0.767SS**  trans-41117.1168.3-71.3-50.7000113.2
161L50Low45.3Very low171 Ų171158.1 Ų158.190%0.89577%0.774SS**  trans-138.376.3154.1-77.5175.3000109.3N159 S163N159-L161 PolarHBondContact O-N 3.43Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.95Å
162T40.8Very low45.8Very low122 Ų122159.1 Ų159.175%0.74877%0.772SS**  trans-69.286163.742.30000109.7T164T162-T164 PolarHBondContact O-N 3.43Å
163S42.9Very low45.6Very low95 Ų95158.4 Ų158.466%0.66477%0.771SS**  trans-72.196.1169171.90000109.8L161 F165L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.95Å; S163-F165 PolarHBondContact O-N 3.4Å
164T42.9Very low45.9Very low114 Ų114154.5 Ų154.570%0.69977%0.767SS**  trans-76.798173.9-55.10000108.9T162 R166T162-T164 PolarHBondContact O-N 3.43Å; T164-R166 HydrophobicContact CG2-CG 4.46Å; T164-R166 PolarHBondContact O-N 3.25Å
165F44.4Very low45.9Very low193 Ų193159.7 Ų159.785%0.84678%0.781SS**  trans-85.4100.2164.9-97-87.2000109.4S163S163-F165 PolarHBondContact O-N 3.4Å
166R45.4Very low46.2Very low221 Ų221160.4 Ų160.483%0.83479%0.788SS**  trans-66.5137.1168.5-91.4179.8173.9-172-2.2110.5T164T164-R166 HydrophobicContact CG2-CG 4.46Å; T164-R166 PolarHBondContact O-N 3.25Å
167S39.8Very low46.7Very low96 Ų96156.3 Ų156.367%0.67179%0.786SS**  trans-41.7140.9160.650.70000114.8
168D47.7Very low47Very low163 Ų163152.9 Ų152.987%0.87278%0.784SS**  trans177.2137.9141.1-80.8-21.5000104.1
169A50.9Low47.1Very low79 Ų79150.8 Ų150.865%0.65378%0.779SS**  cis-169.4141.68.100000107
170H48.4Very low46.9Very low188 Ų188149.7 Ų149.787%0.8778%0.777SS**  trans37.898146.9-61.2-75000120.6
171H52.9Low47.5Very low160 Ų160149.1 Ų149.174%0.74177%0.773SS**  trans-166.5130.4135.1-145.247.9000114.3
172K52Low47.3Very low178 Ų178146.7 Ų146.777%0.77477%0.766SS**  trans73.388.5158.1-76.8174.4175.6157.70118.8
173Q41.4Very low47.8Very low176 Ų176151.4 Ų151.482%0.82277%0.771SS**  trans-64.1158.5146.8-78163.2-45.900111.1
174D47.5Very low48.3Very low139 Ų139153 Ų15374%0.74378%0.777SS**  trans101.6123.8165.3-50-26.5000115.8
175Y49.2Very low49.5Very low220 Ų220155 Ų15586%0.86378%0.779SS**  trans8971.4171-53.7-80.3000118.6
176L50.5Low50.5Low160 Ų160151.2 Ų151.284%0.83877%0.773SS**  trans-137.4130137-74179.6000109.9N178L176-N178 PolarHBondContact O-N 3.06Å
177P56.1Low51.3Low109 Ų109145.1 Ų145.171%0.70877%0.77SS**  trans-72.4127.517828.9-30.7000109.9N179P177-N179 VanDerWaalsContact C-N 3.28Å; P177-N179 PolarHBondContact O-N 2.73Å
178N47.4Very low52.9Low153 Ų153148.9 Ų148.982%0.81878%0.775SS**  trans-62.186.4170.1-68.2-23.8000110L176 T180L176-N178 PolarHBondContact O-N 3.06Å; N178-T180 PolarHBondContact O-N 3.02Å
179N50.3Low53.9Low143 Ų143147 Ų14777%0.76577%0.771SS**  trans-77.576.8160.4-82-3.8000107.8P177 I181P177-N179 VanDerWaalsContact C-N 3.28Å; P177-N179 PolarHBondContact O-N 2.73Å; N179-I181 VanDerWaalsContact C-N 3.28Å; N179-I181 PolarHBondContact O-N 3.4Å
180T43.9Very low54.9Low118 Ų118149 Ų14972%0.72478%0.775SS**  trans-62.594.6164.3-50.80000107.2N178 T182N178-T180 PolarHBondContact O-N 3.02Å; T180-T182 PolarHBondContact O-N 2.81Å
181I53.3Low55.7Low134 Ų134144.8 Ų144.869%0.68776%0.764SS**  trans-62.7103.6169.9-61.3170.4000105.7N179 Y183N179-I181 VanDerWaalsContact C-N 3.28Å; N179-I181 PolarHBondContact O-N 3.4Å; I181-Y183 PolarHBondContact O-N 3.34Å
182T46.6Very low56.1Low120 Ų120143.3 Ų143.374%0.73677%0.767SS**  trans-62.9108.4169.6-29.50000105.9T180 T184T180-T182 PolarHBondContact O-N 2.81Å; T182-T184 VanDerWaalsContact C-N 3.32Å; T182-T184 PolarHBondContact O-N 3.16Å
183Y51Low57.1Low220 Ų220142.2 Ų142.286%0.86377%0.77SS**  trans-60.499.7170.9-78.2-92.8000107.4I181 E185I181-Y183 PolarHBondContact O-N 3.34Å; Y183-E185 PolarHBondContact O-N 3.18Å; Y183-E185 VanDerWaalsContact O-N 3.15Å
184T52.9Low58.1Low130 Ų130141.3 Ų141.380%0.79877%0.77SS**  trans-63.9113.4167.3400000107.4T182T182-T184 VanDerWaalsContact C-N 3.32Å; T182-T184 PolarHBondContact O-N 3.16Å
185E68.9Low58.9Low156 Ų156144.6 Ų144.673%0.72977%0.771SS**PPolyproline II helixtrans-48.1126.8170.4-166.5-172.8174.900108.5Y183 A187Y183-E185 PolarHBondContact O-N 3.18Å; Y183-E185 VanDerWaalsContact O-N 3.15Å; E185-A187 PolarHBondContact O-N 3.18Å; E185-A187 VanDerWaalsContact O-N 3.17Å
186P63.9Low59.7Low112 Ų112140.7 Ų140.773%0.72777%0.77SS**PPolyproline II helixtrans-58.2125.6178.723.6-32.3000108.8K188P186-K188 PolarHBondContact O-N 3.17Å
187A62.7Low60.4Low94 Ų94140.6 Ų140.678%0.77777%0.765SS**PPolyproline II helixtrans-51.6126.3178.300000109.6E185E185-A187 PolarHBondContact O-N 3.18Å; E185-A187 VanDerWaalsContact O-N 3.17Å
188K73Confident61Low175 Ų175138 Ų13876%0.76176%0.759SS**PPolyproline II helixtrans-51.1125.1175.5-68.7176.5-178173.90108.1P186 V190P186-K188 PolarHBondContact O-N 3.17Å; K188-V190 PolarHBondContact O-N 3.13Å; K188-V190 VanDerWaalsContact O-N 3.16Å
189P69.5Low62.2Low122 Ų122140 Ų14079%0.79276%0.763SS**PPolyproline II helixtrans-57.6125.7-18022.6-31.8000108.6
190V72.2Confident63.1Low121 Ų121143 Ų14373%0.73376%0.763SS**PPolyproline II helixtrans-54.1128.3171.8175.70000107.1K188 T192K188-V190 PolarHBondContact O-N 3.13Å; K188-V190 VanDerWaalsContact O-N 3.16Å; V190-T192 PolarHBondContact O-N 3.15Å
191P64.5Low64.5Low101 Ų101143.8 Ų143.866%0.65676%0.764SS**PPolyproline II helixtrans-55.7120.1178.919.8-29.9000109.1N193P191-N193 PolarHBondContact O-N 3Å
192T62.1Low65.7Low129 Ų129146.3 Ų146.379%0.79177%0.77SS**  trans-66.597.8179.332.40000109.2V190 L194V190-T192 PolarHBondContact O-N 3.15Å; T192-L194 PolarHBondContact O-N 3.28Å; T192-L194 VanDerWaalsContact O-N 3.12Å
193N71.6Confident67.2Low155 Ų155146.2 Ų146.283%0.82976%0.764SS**  trans-70.64.4172-68-32.4000113.3P191 R195P191-N193 PolarHBondContact O-N 3Å; N193-R195 PolarHBondContact O-N 3.46Å; N193-R195 VanDerWaalsContact O-N 3.13Å
194L62.8Low68.7Low157 Ų157139.2 Ų139.282%0.82274%0.744SS**  trans-82.383.3170.9-81.4159.4000109.1T192 V196T192-L194 PolarHBondContact O-N 3.28Å; T192-L194 VanDerWaalsContact O-N 3.12Å; L194-V196 PolarHBondContact O-N 2.9Å
195R64.1Low70Confident207 Ų207138.5 Ų138.578%0.78174%0.74SS**  trans-71.2117.4156.6-86.3-177.4167.1172.7-2.4107.7N193 E197N193-R195 PolarHBondContact O-N 3.46Å; N193-R195 VanDerWaalsContact O-N 3.13Å; R195-E197 HydrophobicContact CB-CG 3.9Å; R195-E197 PolarHBondContact O-N 3.18Å
196V67.3Low70.6Confident139 Ų139136 Ų13684%0.84273%0.732SS**  trans-73.284.7162-178.50000105.9L194L194-V196 PolarHBondContact O-N 2.9Å
197E63.8Low71.3Confident157 Ų157137.7 Ų137.773%0.73473%0.728SS**  trans-75.3125.7173.8-68-166.1165.400109.7R195R195-E197 HydrophobicContact CB-CG 3.9Å; R195-E197 PolarHBondContact O-N 3.18Å
198G68.7Low72.1Confident55 Ų55136.5 Ų136.557%0.56771%0.714SS**SBendtrans104.8117.4173.200000113.4R200G198-R200 PolarHBondContact O-N 3.36Å
199E73.4Confident72.6Confident194 Ų194132.7 Ų132.791%0.90771%0.705SS**  trans-61.1100.8158-73.3179.4157.500107.5
200R70Confident73.2Confident206 Ų206135 Ų13578%0.77770%0.699SS**  trans-86.9106.6167.3-86.1-173.3179.91311.1107.9G198 F202G198-R200 PolarHBondContact O-N 3.36Å; R200-F202 HydrophobicContact CB-CE2 4.4Å; R200-F202 HydrophobicContact CB-CZ 4.37Å; R200-F202 WeakPolarHBondContact O-CD2 3.45Å; R200-F202 WeakPolarHBondContact O-CE2 3.41Å; R200-F202 PolarHBondContact O-N 3.42Å
201D72.2Confident73.5Confident136 Ų136133.5 Ų133.573%0.72769%0.69SS**  trans-63108.6164.9-74.4-27.8000108.9L203D201-L203 HydrophobicContact CB-CD1 4.4Å; D201-L203 PolarHBondContact O-N 3.01Å
202F77.6Confident74.3Confident186 Ų186135.5 Ų135.582%0.81670%0.7SS**  trans-7640.7173.8-65.2-82.3000111.7R200 T204R200-F202 HydrophobicContact CB-CE2 4.4Å; R200-F202 HydrophobicContact CB-CZ 4.37Å; R200-F202 WeakPolarHBondContact O-CD2 3.45Å; R200-F202 WeakPolarHBondContact O-CE2 3.41Å; R200-F202 PolarHBondContact O-N 3.42Å; F202-T204 PolarHBondContact O-N 2.91Å; F202-T204 VanDerWaalsContact O-N 3.12Å
203L80.1Confident75Confident118 Ų118137.7 Ų137.762%0.61870%0.699SS**  trans-75.4100.2172.8-81.7165.7000108.7D201 K207D201-L203 HydrophobicContact CB-CD1 4.4Å; D201-L203 PolarHBondContact O-N 3.01Å; L203-K207 HydrophobicContact CD2-CB 4.3Å
204T81.1Confident74.8Confident73 Ų73135.5 Ų135.545%0.44869%0.693SS.*  trans-58.9144.9169.359.60000109.9F202 N206 K207 S208F202-T204 PolarHBondContact O-N 2.91Å; F202-T204 VanDerWaalsContact O-N 3.12Å; T204-N206 PolarHBondContact O-N 2.8Å; T204-K207 PolarHBondContact O-N 3.41Å; T204-K207 WeakPolarHBondContact OG1-CB 3.38Å; T204-K207 WeakPolarHBondContact OG1-CG 3.46Å; T204-K207 PolarHBondContact OG1-N 2.89Å; T204-S208 PolarHBondContact O-N 3.35Å
205T81.2Confident75.1Confident116 Ų116135.9 Ų135.971%0.71269%0.694SS**Hα-helixtrans-51.1-31.717410000112.5S208 V209T205-S208 WeakPolarHBondContact CA-OG 3.41Å; T205-S208 PolarHBondContact O-OG 3.41Å; T205-V209 VanDerWaalsContact O-CB 3.27Å; T205-V209 WeakPolarHBondContact O-CB 3.43Å; T205-V209 WeakPolarHBondContact O-CG2 3.34Å; T205-V209 PolarHBondContact O-N 3.03Å; T205-V209 VanDerWaalsContact O-N 3.07Å
206N80.1Confident74.8Confident104 Ų104131.6 Ų131.656%0.55669%0.691SS**Hα-helixtrans-65.6-51.4175.5-167.6-52.8000111.6T204 S208 V209 Y210T204-N206 PolarHBondContact O-N 2.8Å; N206-S208 VanDerWaalsContact C-N 3.29Å; N206-S208 PolarHBondContact O-N 3.49Å; N206-V209 PolarHBondContact O-N 2.84Å; N206-Y210 WeakPolarHBondContact O-CD2 3.43Å; N206-Y210 PolarHBondContact O-N 3.26Å; N206-Y210 WeakPolarHBondContact OD1-CD2 3.5Å
207K78.6Confident74Confident147 Ų147130 Ų13064%0.63969%0.686SS**Hα-helixtrans-62-32.3176.6-75.5-174.7176.8-176.90113.6L203 T204L203-K207 HydrophobicContact CD2-CB 4.3Å; T204-K207 PolarHBondContact O-N 3.41Å; T204-K207 WeakPolarHBondContact OG1-CB 3.38Å; T204-K207 WeakPolarHBondContact OG1-CG 3.46Å; T204-K207 PolarHBondContact OG1-N 2.89Å
208S80.9Confident73.5Confident69 Ų69127.3 Ų127.348%0.48368%0.684SS.*Hα-helixtrans-76.7-30177.368.30000113T204 T205 N206T204-S208 PolarHBondContact O-N 3.35Å; T205-S208 WeakPolarHBondContact CA-OG 3.41Å; T205-S208 PolarHBondContact O-OG 3.41Å; N206-S208 VanDerWaalsContact C-N 3.29Å; N206-S208 PolarHBondContact O-N 3.49Å
209V83Confident72.6Confident94 Ų94130.5 Ų130.557%0.5770%0.695SS**Hα-helixtrans-90.4-38.6-176.5174.10000112T205 N206 T211T205-V209 VanDerWaalsContact O-CB 3.27Å; T205-V209 WeakPolarHBondContact O-CB 3.43Å; T205-V209 WeakPolarHBondContact O-CG2 3.34Å; T205-V209 PolarHBondContact O-N 3.03Å; T205-V209 VanDerWaalsContact O-N 3.07Å; N206-V209 PolarHBondContact O-N 2.84Å; V209-T211 PolarHBondContact O-N 3.43Å
210Y81.4Confident71.5Confident171 Ų171127.3 Ų127.367%0.67169%0.688SS**  trans-101.354.2-176.5-62.1-78.7000111.8N206N206-Y210 WeakPolarHBondContact O-CD2 3.43Å; N206-Y210 PolarHBondContact O-N 3.26Å; N206-Y210 WeakPolarHBondContact OD1-CD2 3.5Å
211T79.3Confident70.6Confident90 Ų90127.8 Ų127.855%0.55269%0.69SS**  trans-74.7133.316757.50000109.3V209 K213V209-T211 PolarHBondContact O-N 3.43Å; T211-K213 PolarHBondContact O-N 3.5Å
212V80.8Confident69.4Low142 Ų142132.4 Ų132.486%0.86170%0.697SS**  trans-55106.5174.51800000108.3
213K76.5Confident68.2Low175 Ų175128.6 Ų128.676%0.76169%0.685SS**  trans-66.9128.4174.7-69.1-174.9179.8-179.80107T211 I215T211-K213 PolarHBondContact O-N 3.5Å; K213-I215 PolarHBondContact O-N 2.95Å; K213-I215 VanDerWaalsContact O-N 3.13Å
214P67.8Low66.9Low110 Ų110130.4 Ų130.471%0.71469%0.687SS**  trans-56.2126.2173.723.1-30.5000107.2T216P214-T216 PolarHBondContact O-N 3.27Å
215I69.5Low65.6Low164 Ų164133.2 Ų133.284%0.84170%0.698SS**  trans-6494175.7-58.9170.9000105.4K213 S217K213-I215 PolarHBondContact O-N 2.95Å; K213-I215 VanDerWaalsContact O-N 3.13Å; I215-S217 VanDerWaalsContact C-N 3.33Å; I215-S217 PolarHBondContact O-N 3.41Å
216T57.8Low64.1Low117 Ų117132.7 Ų132.772%0.71870%0.697SS**  trans-64103.7166.345.60000105P214 C218P214-T216 PolarHBondContact O-N 3.27Å; T216-C218 PolarHBondContact O-N 3.05Å
217S51.4Low62.9Low105 Ų105135.7 Ų135.773%0.73471%0.711SS**  trans-51.7103.7172.855.10000107.6I215I215-S217 VanDerWaalsContact C-N 3.33Å; I215-S217 PolarHBondContact O-N 3.41Å
218C52Low61.7Low102 Ų102135.5 Ų135.569%0.68972%0.715SS**  trans-53.4131.2164.1-73.40000106.2T216 V220T216-C218 PolarHBondContact O-N 3.05Å; C218-V220 VanDerWaalsContact C-N 3.33Å; C218-V220 PolarHBondContact O-N 3.34Å
219P49.2Very low60.5Low122 Ų122140.5 Ų140.579%0.79273%0.731SS**  trans-59.3106.2171.524.2-30.7000106.4R221P219-R221 PolarHBondContact O-N 3.02Å
220V51.9Low59.2Low126 Ų126145.3 Ų145.376%0.76474%0.744SS**  trans-55108.1172.2175.50000105.1C218 R222C218-V220 VanDerWaalsContact C-N 3.33Å; C218-V220 PolarHBondContact O-N 3.34Å; V220-R222 VanDerWaalsContact C-N 3.29Å; V220-R222 PolarHBondContact O-N 3.13Å
221R51Low58Low217 Ų217142.4 Ų142.482%0.81975%0.747SS**  trans-57.8104.4166.1-83.3-177.3175.2150.4-2105P219 L223P219-R221 PolarHBondContact O-N 3.02Å; R221-L223 PolarHBondContact O-N 2.95Å
222R45.8Very low57.2Low233 Ų233149.6 Ų149.688%0.87976%0.764SS**  trans-61.692168.9-73.8-177.1172.4178.6-1.8106.1V220 K224V220-R222 VanDerWaalsContact C-N 3.29Å; V220-R222 PolarHBondContact O-N 3.13Å; R222-K224 PolarHBondContact O-N 2.96Å
223L53.4Low56Low106 Ų106149 Ų14956%0.55576%0.76SS**  trans-54120.9157.5-68.5169.3000105R221 I225 I391R221-L223 PolarHBondContact O-N 2.95Å; L223-I225 PolarHBondContact O-N 3.12Å; L223-I391 HydrophobicContact CB-CG2 3.92Å; L223-I391 HydrophobicContact CD2-CB 3.64Å; L223-I391 HydrophobicContact CD2-CD1 3.62Å; L223-I391 HydrophobicContact CD2-CG1 4.21Å; L223-I391 HydrophobicContact CD2-CG2 3.71Å; L223-I391 HydrophobicContact CG-CG2 4.41Å
224K52.2Low55Low155 Ų155145.9 Ų145.967%0.67476%0.76SS**  trans-70.287.5173-57.1166.2171.1176.70106.6R222 I391R222-K224 PolarHBondContact O-N 2.96Å; K224-I391 VanDerWaalsContact CB-OXT 3.31Å; K224-I391 WeakPolarHBondContact CB-OXT 3.36Å; K224-I391 PolarHBondContact N-O 3.27Å
225I54.5Low55Low133 Ų133148.9 Ų148.968%0.68277%0.765SS**  trans-64.8124.8166.4-59171000105.1L223 I227L223-I225 PolarHBondContact O-N 3.12Å; I225-I227 PolarHBondContact O-N 3.42Å
226P48.3Very low55.1Low105 Ų105146.6 Ų146.668%0.68276%0.76SS**  trans-53.6132.617820-30.2000108.6I228P226-I228 PolarHBondContact O-N 3.34Å
227I55.1Low55.8Low166 Ų166150.4 Ų150.485%0.85177%0.768SS**  trans-61.689.8-177.9-60.5164.5000107.3I225 Q229I225-I227 PolarHBondContact O-N 3.42Å; I227-Q229 PolarHBondContact O-N 2.97Å
228I53.4Low57Low143 Ų143151 Ų15173%0.73377%0.771SS**  trans-66.6116163.3-62.3172.8000104.1P226 K230P226-I228 PolarHBondContact O-N 3.34Å; I228-K230 PolarHBondContact O-N 3.46Å
229Q56.9Low58.2Low175 Ų175148.1 Ų148.182%0.81876%0.76SS**  trans-47.9116177.9-66.1-179.8-200107.7I227 P231I227-Q229 PolarHBondContact O-N 2.97Å; Q229-P231 WeakPolarHBondContact O-CD 3.37Å
230K56.1Low59.7Low194 Ų194148.4 Ų148.484%0.84375%0.75SS**PPolyproline II helixtrans-50.8119.6176.1-76.5178.6175.7178.40106.5I228 R232I228-K230 PolarHBondContact O-N 3.46Å; K230-R232 PolarHBondContact O-N 2.93Å; K230-R232 VanDerWaalsContact O-N 3.11Å
231P55.8Low61.3Low110 Ų110146.7 Ų146.771%0.71474%0.74SS**PPolyproline II helixtrans-54.2127.8169.322.5-30000105.8Q229 V233Q229-P231 WeakPolarHBondContact O-CD 3.37Å; P231-V233 PolarHBondContact O-N 3.08Å
232R61.6Low62.9Low241 Ų241143.7 Ų143.791%0.90974%0.735SS**PPolyproline II helixtrans-47.3116.2173-70.5179.1-177.6163.90.7105.1K230 S234K230-R232 PolarHBondContact O-N 2.93Å; K230-R232 VanDerWaalsContact O-N 3.11Å; R232-S234 PolarHBondContact O-N 3.49Å
233V55.2Low64.6Low131 Ų131139.7 Ų139.779%0.79473%0.725SS**  trans-60.895.5178176.90000104.7P231 E235P231-V233 PolarHBondContact O-N 3.08Å; V233-E235 PolarHBondContact O-N 3.12Å
234S56.8Low65.8Low108 Ų108142.3 Ų142.376%0.75573%0.727SS**  trans-57.5132.3163.556.20000105.4R232R232-S234 PolarHBondContact O-N 3.49Å
235E67.4Low67.3Low173 Ų173138 Ų13881%0.80872%0.72SS**SBendtrans-3.6131.9-178-66174.2169.100117.4V233 F237V233-E235 PolarHBondContact O-N 3.12Å; E235-F237 PolarHBondContact O-N 3.04Å; E235-F237 VanDerWaalsContact O-N 3.13Å
236P72Confident68.7Low116 Ų116135.8 Ų135.875%0.75371%0.71SS**  trans-50.7125.5179.422.5-32.3000110.1S238P236-S238 PolarHBondContact O-N 2.95Å
237F72Confident70.1Confident198 Ų198136 Ų13687%0.86870%0.7SS**  trans-56.1104.8-178.4176.8-105.5000110.2E235 G239E235-F237 PolarHBondContact O-N 3.04Å; E235-F237 VanDerWaalsContact O-N 3.13Å; F237-G239 VanDerWaalsContact C-N 3.26Å; F237-G239 VanDerWaalsContact CE1-CA 3.48Å; F237-G239 PolarHBondContact O-N 3.07Å; F237-G239 VanDerWaalsContact O-N 3.1Å
238S76.4Confident71.2Confident116 Ų116129.7 Ų129.781%0.81167%0.67SS**  trans-82.370.5173.2166.70000109.2P236 E240P236-S238 PolarHBondContact O-N 2.95Å; S238-E240 PolarHBondContact O-N 3.07Å
239G76.5Confident72Confident43 Ų43128 Ų12844%0.44367%0.668SS.*  trans-95.376.8176.300000111.7F237F237-G239 VanDerWaalsContact C-N 3.26Å; F237-G239 VanDerWaalsContact CE1-CA 3.48Å; F237-G239 PolarHBondContact O-N 3.07Å; F237-G239 VanDerWaalsContact O-N 3.1Å
240E80.8Confident72.7Confident128 Ų128127 Ų12760%0.59866%0.663SS**  trans-77.1124.8164.2-125.9172.2-171.600108.9S238 R244S238-E240 PolarHBondContact O-N 3.07Å; E240-R244 HydrophobicContact CG-CB 4.22Å
241T86.2Confident73.1Confident90 Ų90126.9 Ų126.955%0.55266%0.658SS**  trans-67.4145.2-179.959.40000109.4F243 R244 A245T241-F243 PolarHBondContact O-N 3.03Å; T241-F243 VanDerWaalsContact O-N 3.1Å; T241-R244 WeakPolarHBondContact O-CA 3.32Å; T241-R244 WeakPolarHBondContact O-CB 3.3Å; T241-R244 PolarHBondContact O-N 3.33Å; T241-A245 PolarHBondContact O-N 2.87Å
242Q85.2Confident73.4Confident154 Ų154123.7 Ų123.772%0.7264%0.641SS**Hα-helixtrans-54.1-34.8180-171.3154.35.400112.3R244 A245 D246Q242-R244 VanDerWaalsContact C-N 3.31Å; Q242-R244 PolarHBondContact O-N 3.42Å; Q242-A245 PolarHBondContact O-N 2.85Å; Q242-D246 WeakPolarHBondContact O-CB 3.41Å; Q242-D246 PolarHBondContact O-N 3.21Å
243F80.4Confident73Confident148 Ų148121.6 Ų121.665%0.64963%0.633SS**Hα-helixtrans-60.1-37.6172.7-159.1-91.5000113.2T241 F247T241-F243 PolarHBondContact O-N 3.03Å; T241-F243 VanDerWaalsContact O-N 3.1Å; F243-F247 AromaticContact CD1-CD2 3.86Å; F243-F247 HydrophobicContact CD1-CD2 3.86Å; F243-F247 AromaticContact CD2-CD2 3.9Å; F243-F247 HydrophobicContact CD2-CD2 3.9Å; F243-F247 AromaticContact CD2-CE2 3.8Å; F243-F247 HydrophobicContact CD2-CE2 3.8Å; F243-F247 AromaticContact CE1-CD2 3.76Å; F243-F247 HydrophobicContact CE1-CD2 3.76Å; F243-F247 HydrophobicContact CE1-CE2 4.33Å; F243-F247 HydrophobicContact CE1-CG 4.45Å; F243-F247 AromaticContact CE2-CD2 3.81Å; F243-F247 HydrophobicContact CE2-CD2 3.81Å; F243-F247 AromaticContact CE2-CE2 3.54Å; F243-F247 HydrophobicContact CE2-CE2 3.54Å; F243-F247 AromaticContact CG-CD2 3.94Å; F243-F247 HydrophobicContact CG-CD2 3.94Å; F243-F247 HydrophobicContact CG-CE2 4.3Å; F243-F247 AromaticContact CZ-CD2 3.73Å; F243-F247 HydrophobicContact CZ-CD2 3.73Å; F243-F247 AromaticContact CZ-CE2 3.84Å; F243-F247 HydrophobicContact CZ-CE2 3.84Å; F243-F247 WeakPolarHBondContact O-CB 3.47Å; F243-F247 VanDerWaalsContact O-CD2 3.23Å; F243-F247 WeakPolarHBondContact O-CD2 3.33Å; F243-F247 PolarHBondContact O-N 3.06Å
244R79.6Confident72.8Confident161 Ų161120 Ų12061%0.60862%0.62SS**Hα-helixtrans-74.4-30.5178.5-141.4178.3177.4-161.2-3.7112.2E240 T241 Q242E240-R244 HydrophobicContact CG-CB 4.22Å; T241-R244 WeakPolarHBondContact O-CA 3.32Å; T241-R244 WeakPolarHBondContact O-CB 3.3Å; T241-R244 PolarHBondContact O-N 3.33Å; Q242-R244 VanDerWaalsContact C-N 3.31Å; Q242-R244 PolarHBondContact O-N 3.42Å
245A82.2Confident72.5Confident64 Ų64120.1 Ų120.153%0.52962%0.621SS.*Hα-helixtrans-73.1-38.6172.500000112.2T241 Q242T241-A245 PolarHBondContact O-N 2.87Å; Q242-A245 PolarHBondContact O-N 2.85Å
246D84Confident71.7Confident87 Ų87116.6 Ų116.647%0.46561%0.611SS.*Hα-helixtrans-75.6-29.3-180-68.1-21.8000112.5Q242 P248Q242-D246 WeakPolarHBondContact O-CB 3.41Å; Q242-D246 PolarHBondContact O-N 3.21Å; D246-P248 VanDerWaalsContact C-CD 3.45Å; D246-P248 WeakPolarHBondContact O-CD 3.42Å
247F78.3Confident70.9Confident110 Ų110114.7 Ų114.748%0.48260%0.595SS.*SBendtrans-123.568.4-178.3-56.6-75.2000112F243F243-F247 AromaticContact CD1-CD2 3.86Å; F243-F247 HydrophobicContact CD1-CD2 3.86Å; F243-F247 AromaticContact CD2-CD2 3.9Å; F243-F247 HydrophobicContact CD2-CD2 3.9Å; F243-F247 AromaticContact CD2-CE2 3.8Å; F243-F247 HydrophobicContact CD2-CE2 3.8Å; F243-F247 AromaticContact CE1-CD2 3.76Å; F243-F247 HydrophobicContact CE1-CD2 3.76Å; F243-F247 HydrophobicContact CE1-CE2 4.33Å; F243-F247 HydrophobicContact CE1-CG 4.45Å; F243-F247 AromaticContact CE2-CD2 3.81Å; F243-F247 HydrophobicContact CE2-CD2 3.81Å; F243-F247 AromaticContact CE2-CE2 3.54Å; F243-F247 HydrophobicContact CE2-CE2 3.54Å; F243-F247 AromaticContact CG-CD2 3.94Å; F243-F247 HydrophobicContact CG-CD2 3.94Å; F243-F247 HydrophobicContact CG-CE2 4.3Å; F243-F247 AromaticContact CZ-CD2 3.73Å; F243-F247 HydrophobicContact CZ-CD2 3.73Å; F243-F247 AromaticContact CZ-CE2 3.84Å; F243-F247 HydrophobicContact CZ-CE2 3.84Å; F243-F247 WeakPolarHBondContact O-CB 3.47Å; F243-F247 VanDerWaalsContact O-CD2 3.23Å; F243-F247 WeakPolarHBondContact O-CD2 3.33Å; F243-F247 PolarHBondContact O-N 3.06Å
248P78.2Confident70.2Confident33 Ų33110.9 Ų110.921%0.21459%0.59CS.*  trans-59146.7177.422.2-30000110.3D246 E250 R251 A252D246-P248 VanDerWaalsContact C-CD 3.45Å; D246-P248 WeakPolarHBondContact O-CD 3.42Å; P248-E250 PolarHBondContact O-N 2.89Å; P248-R251 HydrophobicContact CG-CB 3.93Å; P248-R251 WeakPolarHBondContact O-CA 3.39Å; P248-R251 PolarHBondContact O-N 3.05Å; P248-A252 PolarHBondContact O-N 2.98Å
249P71.1Confident69.5Low107 Ų107113.2 Ų113.270%0.69559%0.59SS**Hα-helixtrans-57.6-25.8-177.319.8-30000113R251P249-R251 PolarHBondContact O-N 3.45Å
250E69.9Low68.3Low154 Ų154114.4 Ų114.472%0.7259%0.59SS**Hα-helixtrans-68.8-17.1173-63.5149.3-17000113.9P248 N254P248-E250 PolarHBondContact O-N 2.89Å; E250-N254 PolarHBondContact O-ND2 3.27Å
251R66.4Low67.1Low192 Ų192114.2 Ų114.273%0.72560%0.603SS**Hα-helixtrans-113.5-23.6179.4-158.6-178.1-77.3172.3-5112.2P248 P249 W253P248-R251 HydrophobicContact CG-CB 3.93Å; P248-R251 WeakPolarHBondContact O-CA 3.39Å; P248-R251 PolarHBondContact O-N 3.05Å; P249-R251 PolarHBondContact O-N 3.45Å; R251-W253 PolarHBondContact O-N 3.09Å
252A60.2Low65.8Low43 Ų43116.4 Ų116.436%0.35562%0.616SS.*Hα-helixtrans-73.2-20.8-171.500000114.6P248P248-A252 PolarHBondContact O-N 2.98Å
253W53.6Low64.4Low197 Ų197113.8 Ų113.875%0.74661%0.611SS**SBendtrans-142.52.9-174.4-76.777.5000115.8R251 S255 V256R251-W253 PolarHBondContact O-N 3.09Å; W253-S255 PolarHBondContact O-N 3.11Å; W253-S255 VanDerWaalsContact O-N 3.12Å; W253-V256 PolarHBondContact O-N 3.09Å
254N51Low63.8Low99 Ų99111.9 Ų111.953%0.52961%0.613SS.*THydrogen-bonded Turntrans-73.72.1176.9-75.5-12.1000114.1E250 V256E250-N254 PolarHBondContact O-ND2 3.27Å; N254-V256 PolarHBondContact O-N 3.13Å
255S50.5Low63.2Low110 Ų110112.7 Ų112.777%0.76962%0.623SS**THydrogen-bonded Turntrans-77.1-4.3166.761.80000113.5W253W253-S255 PolarHBondContact O-N 3.11Å; W253-S255 VanDerWaalsContact O-N 3.12Å
256V51.7Low62.8Low98 Ų98115.1 Ų115.159%0.59463%0.634SS**SBendtrans-125.35.8-173.9-155.90000113.1W253 N254 P258W253-V256 PolarHBondContact O-N 3.09Å; N254-V256 PolarHBondContact O-N 3.13Å; V256-P258 WeakPolarHBondContact O-CD 3.33Å
257D54.2Low62.6Low77 Ų77117.1 Ų117.141%0.41265%0.653SS.*  trans-83.3104171-157.7-18.5000109.4M259 C260D257-M259 PolarHBondContact O-N 3.01Å; D257-C260 PolarHBondContact O-N 3.15Å
258P58Low62.6Low118 Ų118120.5 Ų120.577%0.76667%0.67SS**THydrogen-bonded Turntrans-66-4.8-174.529.4-36.5000113.4V256V256-P258 WeakPolarHBondContact O-CD 3.33Å
259M60.9Low62.7Low164 Ų164124.1 Ų124.181%0.80869%0.694SS**THydrogen-bonded Turntrans-99.4-11.5-178.4-71.1-81110.500114D257 S261D257-M259 PolarHBondContact O-N 3.01Å; M259-S261 PolarHBondContact O-N 3.26Å
260C52Low63.3Low68 Ų68124.9 Ų124.946%0.45970%0.699SS.*  trans-77.6110.7179.2-85.50000111.6D257 V262D257-C260 PolarHBondContact O-N 3.15Å; C260-V262 PolarHBondContact O-N 2.86Å
261S56Low63.7Low125 Ų125127.1 Ų127.187%0.87471%0.706SS**THydrogen-bonded Turntrans-48.96.1-176.3-179.30000118.8M259M259-S261 PolarHBondContact O-N 3.26Å
262V58.9Low64.2Low135 Ų135122.4 Ų122.482%0.81871%0.708SS**THydrogen-bonded Turntrans-111.6-0.1-172.7-162.60000112.7C260 P264C260-V262 PolarHBondContact O-N 2.86Å; V262-P264 WeakPolarHBondContact O-CD 3.31Å
263V56.1Low64.9Low100 Ų100129.4 Ų129.461%0.60673%0.734SS**SBendtrans-71.8119.9174.5-173.70000109.2H265V263-H265 PolarHBondContact O-N 2.89Å
264P66Low65.9Low108 Ų108126.6 Ų126.670%0.70173%0.731SS**PPolyproline II helixtrans-59.2129.1175.622.5-30.1000109V262V262-P264 WeakPolarHBondContact O-CD 3.31Å
265H68.2Low66.8Low177 Ų177128.5 Ų128.582%0.81974%0.737SS**PPolyproline II helixtrans-55.4133.9-177.2-7267.2000109.3V263 C267V263-H265 PolarHBondContact O-N 2.89Å; H265-C267 PolarHBondContact O-N 3.16Å
266P73Confident67.7Low116 Ų116130 Ų13075%0.75374%0.736SS**PPolyproline II helixtrans-55.8130.2178.521.2-30.6000109.1Q268P266-Q268 PolarHBondContact O-N 2.96Å
267C79.6Confident68.5Low128 Ų128134.6 Ų134.687%0.86574%0.743SS**  trans-58.2114.5-178.4-161.60000108.8H265 P269H265-C267 PolarHBondContact O-N 3.16Å; C267-P269 WeakPolarHBondContact O-CD 3.49Å
268Q79.2Confident68.9Low182 Ų182136.5 Ų136.585%0.8575%0.753SS**PPolyproline II helixtrans-70.7120.5177.4-85.5-178.1-13.100108.7P266P266-Q268 PolarHBondContact O-N 2.96Å
269P80.8Confident69.2Low108 Ų108136.1 Ų136.170%0.70175%0.749SS**PPolyproline II helixtrans-63.2149.4176.226.7-33000109.8C267 K271C267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-K271 PolarHBondContact O-N 2.77Å
270P82.7Confident69.5Low124 Ų124134.9 Ų134.981%0.80575%0.745SS**PPolyproline II helixtrans-55.5141.4175.921.6-30.5000110.2A272P270-A272 PolarHBondContact O-N 2.83Å
271K79.3Confident70.4Confident201 Ų201138.7 Ų138.787%0.87476%0.761SS**PPolyproline II helixtrans-52.6126.7179.9-70-177.4178.3179.60109.5P269 Q273P269-K271 PolarHBondContact O-N 2.77Å; K271-Q273 PolarHBondContact O-N 3.19Å; K271-Q273 VanDerWaalsContact O-N 3.1Å
272A76.5Confident71.2Confident92 Ų92138.3 Ų138.376%0.7675%0.748SS**PPolyproline II helixtrans-54.9118.3179.700000109.9P270 I274P270-A272 PolarHBondContact O-N 2.83Å; A272-I274 PolarHBondContact O-N 3.31Å
273Q74.1Confident72.1Confident191 Ų191136.1 Ų136.189%0.89374%0.738SS**  trans-77.4-4.8177.4-73178.8-21.900112.8K271 Q275K271-Q273 PolarHBondContact O-N 3.19Å; K271-Q273 VanDerWaalsContact O-N 3.1Å; Q273-Q275 PolarHBondContact O-N 3.05Å
274I74.7Confident73.2Confident137 Ų137139.5 Ų139.570%0.70375%0.746SS**  trans-76.998.2178.9-54.1175.2000107.7A272 L276A272-I274 PolarHBondContact O-N 3.31Å; I274-L276 HydrophobicContact CG2-CG 4.47Å; I274-L276 PolarHBondContact O-N 3.39Å; I274-L276 VanDerWaalsContact O-N 3.11Å
275Q69.4Low74Confident139 Ų139140.3 Ų140.365%0.6574%0.739SS**  trans-70.199.8162.3-68.3-177.811.700107.2Q273 R277Q273-Q275 PolarHBondContact O-N 3.05Å; Q275-R277 HydrophobicContact CB-CG 4.24Å; Q275-R277 PolarHBondContact O-N 2.74Å; Q275-R277 VanDerWaalsContact OE1-NH2 3.08Å
276L70.6Confident74.8Confident143 Ų143135.7 Ų135.775%0.74972%0.724SS**  trans-64.585.2163-73.4164.2000107.1I274 D278I274-L276 HydrophobicContact CG2-CG 4.47Å; I274-L276 PolarHBondContact O-N 3.39Å; I274-L276 VanDerWaalsContact O-N 3.11Å; L276-D278 VanDerWaalsContact C-N 3.3Å; L276-D278 PolarHBondContact O-N 3.13Å; L276-D278 VanDerWaalsContact O-N 3.13Å
277R67.5Low75.6Confident194 Ų194137.5 Ų137.573%0.73272%0.722SS**  trans-78.492.1168-67-163.1-177.3-167.32.1106.1Q275 T279Q275-R277 HydrophobicContact CB-CG 4.24Å; Q275-R277 PolarHBondContact O-N 2.74Å; Q275-R277 VanDerWaalsContact OE1-NH2 3.08Å; R277-T279 PolarHBondContact O-N 2.99Å
278D62.7Low76Confident116 Ų116138 Ų13862%0.6271%0.712SS**  trans-69.571.9173.8-65.4-19.6000109.6L276 N280L276-D278 VanDerWaalsContact C-N 3.3Å; L276-D278 PolarHBondContact O-N 3.13Å; L276-D278 VanDerWaalsContact O-N 3.13Å; D278-N280 PolarHBondContact O-N 2.8Å
279T65.8Low76.5Confident111 Ų111137.7 Ų137.768%0.68170%0.703SS**  trans-75.581.4159.649.20000107.3R277 D281R277-T279 PolarHBondContact O-N 2.99Å; T279-D281 PolarHBondContact O-N 3.03Å
280N65.7Low76.8Confident137 Ų137137.3 Ų137.373%0.73370%0.695SS**THydrogen-bonded Turntrans-69.320.6-179.2-81.8-27000114.3D278 I282D278-N280 PolarHBondContact O-N 2.8Å; N280-I282 VanDerWaalsContact C-N 3.32Å; N280-I282 PolarHBondContact O-N 2.89Å
281D70.5Confident77.2Confident148 Ų148138 Ų13879%0.79169%0.688SS**THydrogen-bonded Turntrans-89.25.5-174.8-69.8-21000113.7T279 S283T279-D281 PolarHBondContact O-N 3.03Å; D281-S283 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.84Å
282I74.1Confident77.4Confident118 Ų118135.4 Ų135.461%0.60568%0.677SS**  trans-79.487.7170-53.2177.7000107.9N280 F284N280-I282 VanDerWaalsContact C-N 3.32Å; N280-I282 PolarHBondContact O-N 2.89Å; I282-F284 HydrophobicContact CB-CE2 4.22Å; I282-F284 HydrophobicContact CB-CZ 4.32Å; I282-F284 HydrophobicContact CG2-CD1 4.27Å; I282-F284 HydrophobicContact CG2-CD2 4.29Å; I282-F284 HydrophobicContact CG2-CE1 3.9Å; I282-F284 HydrophobicContact CG2-CE2 3.93Å; I282-F284 HydrophobicContact CG2-CG 4.46Å; I282-F284 HydrophobicContact CG2-CZ 3.72Å; I282-F284 VanDerWaalsContact O-CD2 3.27Å; I282-F284 WeakPolarHBondContact O-CD2 3.03Å; I282-F284 PolarHBondContact O-N 3.17Å; I282-F284 VanDerWaalsContact O-N 3.16Å
283S76.7Confident77.7Confident88 Ų88139 Ų13962%0.61568%0.678SS**  trans-67.5108.1165.351.20000109D281 H285D281-S283 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.84Å; S283-H285 PolarHBondContact O-N 2.96Å; S283-H285 VanDerWaalsContact O-N 3.12Å
284F79.1Confident78.2Confident172 Ų172133.5 Ų133.575%0.75467%0.672SS**  trans-76.398.2174.6-66.2-85.3000109.4I282I282-F284 HydrophobicContact CB-CE2 4.22Å; I282-F284 HydrophobicContact CB-CZ 4.32Å; I282-F284 HydrophobicContact CG2-CD1 4.27Å; I282-F284 HydrophobicContact CG2-CD2 4.29Å; I282-F284 HydrophobicContact CG2-CE1 3.9Å; I282-F284 HydrophobicContact CG2-CE2 3.93Å; I282-F284 HydrophobicContact CG2-CG 4.46Å; I282-F284 HydrophobicContact CG2-CZ 3.72Å; I282-F284 VanDerWaalsContact O-CD2 3.27Å; I282-F284 WeakPolarHBondContact O-CD2 3.03Å; I282-F284 PolarHBondContact O-N 3.17Å; I282-F284 VanDerWaalsContact O-N 3.16Å
285H82.9Confident78.6Confident124 Ų124133.4 Ų133.457%0.57467%0.668SS**  trans-89.4131.7163.6-71.8-79.8000109S283S283-H285 PolarHBondContact O-N 2.96Å; S283-H285 VanDerWaalsContact O-N 3.12Å
286T85.9Confident79.5Confident81 Ų81130.5 Ų130.550%0.49766%0.657SS.*  trans-109.5144.117360.20000108.5Q288 R289 D290T286-Q288 PolarHBondContact O-N 3.15Å; T286-R289 WeakPolarHBondContact O-CB 3.5Å; T286-R289 PolarHBondContact O-N 3.34Å; T286-R289 PolarHBondContact OG1-N 3.49Å; T286-D290 PolarHBondContact O-N 2.8Å
287E90.4Very high80.3Confident154 Ų154127.1 Ų127.172%0.7265%0.65SS**Hα-helixtrans-52.6-33.7177-63.7-178.3174.200112R289 D290 Q291E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 2.93Å; E287-D290 PolarHBondContact O-N 2.85Å; E287-Q291 WeakPolarHBondContact O-CB 3.46Å; E287-Q291 VanDerWaalsContact O-CG 3.3Å; E287-Q291 WeakPolarHBondContact O-CG 3.37Å; E287-Q291 PolarHBondContact O-N 3.41Å
288Q88.4Confident81.5Confident138 Ų138126.9 Ų126.965%0.64565%0.654SS**Hα-helixtrans-63.2-36.3176.5-168.7178.6-5.500112.7T286 D290 F292T286-Q288 PolarHBondContact O-N 3.15Å; Q288-D290 VanDerWaalsContact C-N 3.31Å; Q288-F292 HydrophobicContact CG-CD2 3.72Å; Q288-F292 HydrophobicContact CG-CE2 4.22Å; Q288-F292 WeakPolarHBondContact O-CB 3.47Å; Q288-F292 WeakPolarHBondContact O-CD2 3.46Å; Q288-F292 PolarHBondContact O-N 3.4Å
289R88.1Confident82.8Confident176 Ų176125.8 Ų125.866%0.66465%0.652SS**Hα-helixtrans-70.3-31.2177.5-167.4173.4-177.8167.90.2111.7T286 E287T286-R289 WeakPolarHBondContact O-CB 3.5Å; T286-R289 PolarHBondContact O-N 3.34Å; T286-R289 PolarHBondContact OG1-N 3.49Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 2.93Å
290D88.2Confident83.9Confident100 Ų100124.6 Ų124.654%0.53564%0.641SS.*Hα-helixtrans-78.6-37.6177.3-64.2-20.5000111.8T286 E287 Q288T286-D290 PolarHBondContact O-N 2.8Å; E287-D290 PolarHBondContact O-N 2.85Å; Q288-D290 VanDerWaalsContact C-N 3.31Å
291Q90Very high85Confident138 Ų138122.7 Ų122.765%0.64564%0.636SS**Hα-helixtrans-77.4-37-179.8-71.3176.21100113.4E287E287-Q291 WeakPolarHBondContact O-CB 3.46Å; E287-Q291 VanDerWaalsContact O-CG 3.3Å; E287-Q291 WeakPolarHBondContact O-CG 3.37Å; E287-Q291 PolarHBondContact O-N 3.41Å
292F84.8Confident85.7Confident147 Ų147124.5 Ų124.565%0.64564%0.637SS**  trans-109.670.9-175.9-62.4-85.5000110.8Q288Q288-F292 HydrophobicContact CG-CD2 3.72Å; Q288-F292 HydrophobicContact CG-CE2 4.22Å; Q288-F292 WeakPolarHBondContact O-CB 3.47Å; Q288-F292 WeakPolarHBondContact O-CD2 3.46Å; Q288-F292 PolarHBondContact O-N 3.4Å
293Q82.9Confident86.3Confident168 Ų168124.4 Ų124.479%0.78564%0.644SS**  trans-59.5140.4167.8-59.9-1622.400109.4
294G83.5Confident86.7Confident75 Ų75129.7 Ų129.777%0.77366%0.656SS**  trans-51.2143.9-174.200000112.9D296G294-D296 PolarHBondContact O-N 3.43Å
295H83.6Confident87Confident134 Ų134125.5 Ų125.562%0.6265%0.648SS**  trans-70.9109.8179.1-175.166.7000110.8A297 N300H295-A297 PolarHBondContact O-N 3.07Å; H295-N300 WeakPolarHBondContact CE1-CB 3.49Å; H295-N300 PolarHBondContact NE2-O 3.47Å; H295-N300 VanDerWaalsContact NE2-O 3.1Å
296D88Confident87.1Confident79 Ų79129.7 Ų129.742%0.42267%0.665SS.*  trans-75.6110.7173.6175.419.1000110.4G294 K298 T299 N300G294-D296 PolarHBondContact O-N 3.43Å; D296-K298 PolarHBondContact O-N 3.21Å; D296-K298 VanDerWaalsContact O-N 3.16Å; D296-K298 WeakPolarHBondContact OD1-CB 3.39Å; D296-K298 PolarHBondContact OD1-N 3.28Å; D296-T299 WeakPolarHBondContact CB-OG1 3.37Å; D296-T299 PolarHBondContact O-N 3.16Å; D296-T299 PolarHBondContact O-OG1 2.87Å; D296-T299 WeakPolarHBondContact OD2-CG2 3.36Å; D296-T299 PolarHBondContact OD2-OG1 2.84Å; D296-N300 PolarHBondContact O-N 2.97Å
297A88.6Confident87Confident71 Ų71134.2 Ų134.259%0.58768%0.678SS**THydrogen-bonded Turntrans-64.2-17.6-178.100000113.5H295 P301H295-A297 PolarHBondContact O-N 3.07Å; A297-P301 WeakPolarHBondContact O-CA 3.44Å
298K92Very high86.4Confident190 Ų190135.5 Ų135.583%0.82668%0.683SS**THydrogen-bonded Turntrans-78-39.6175.3-67.3-176.3179.2179.40112.1D296D296-K298 PolarHBondContact O-N 3.21Å; D296-K298 VanDerWaalsContact O-N 3.16Å; D296-K298 WeakPolarHBondContact OD1-CB 3.39Å; D296-K298 PolarHBondContact OD1-N 3.28Å
299T90.8Very high86Confident92 Ų92137.6 Ų137.656%0.56469%0.693SS**THydrogen-bonded Turntrans-81.5-30.3178.750.40000112.1D296D296-T299 WeakPolarHBondContact CB-OG1 3.37Å; D296-T299 PolarHBondContact O-N 3.16Å; D296-T299 PolarHBondContact O-OG1 2.87Å; D296-T299 WeakPolarHBondContact OD2-CG2 3.36Å; D296-T299 PolarHBondContact OD2-OG1 2.84Å
300N88.3Confident85.6Confident87 Ų87137.5 Ų137.547%0.46571%0.705SS.*SBendtrans-131.977.8-179-62.5-85.2000110.7H295 D296H295-N300 WeakPolarHBondContact CE1-CB 3.49Å; H295-N300 PolarHBondContact NE2-O 3.47Å; H295-N300 VanDerWaalsContact NE2-O 3.1Å; D296-N300 PolarHBondContact O-N 2.97Å
301P88.2Confident85.3Confident96 Ų96137.8 Ų137.862%0.62372%0.715SS**PPolyproline II helixtrans-63.9141.9178.326.4-33.7000110.7A297A297-P301 WeakPolarHBondContact O-CA 3.44Å
302K86.3Confident85.1Confident186 Ų186135.5 Ų135.581%0.80972%0.72SS**PPolyproline II helixtrans-56.4132.5175.2-71.6-178.6-179.3176.70109.6K304K302-K304 PolarHBondContact O-N 3.22Å
303P85.7Confident85.3Confident116 Ų116137.6 Ų137.675%0.75373%0.725SS**PPolyproline II helixtrans-57.1137.8176.721.7-30.9000110S305P303-S305 PolarHBondContact O-N 2.79Å
304K84.8Confident85.7Confident200 Ų200135.5 Ų135.587%0.8772%0.723SS**PPolyproline II helixtrans-56135.8174.1-70.8-177179.4-1780108.5K302 F306K302-K304 PolarHBondContact O-N 3.22Å; K304-F306 PolarHBondContact O-N 2.86Å
305S85.4Confident85.9Confident84 Ų84139.9 Ų139.959%0.58772%0.721SS**PPolyproline II helixtrans-62.7135.2-177.6960000109.8P303 K307P303-S305 PolarHBondContact O-N 2.79Å; S305-K307 PolarHBondContact O-N 3.03Å; S305-K307 WeakPolarHBondContact OG-CB 3.46Å; S305-K307 PolarHBondContact OG-N 3Å
306F84.5Confident86.1Confident212 Ų212137.2 Ų137.293%0.9372%0.716SS**  trans-67.20.7171.8-65.5-84.6000113.5K304 H308K304-F306 PolarHBondContact O-N 2.86Å; F306-H308 PolarHBondContact O-N 3.24Å; F306-H308 VanDerWaalsContact O-N 3.13Å
307K84Confident86.2Confident176 Ų176138.3 Ų138.377%0.76574%0.736SS**SBendtrans-65.7118.4174-61.3-173.4177-176.60107.3S305 E309S305-K307 PolarHBondContact O-N 3.03Å; S305-K307 WeakPolarHBondContact OG-CB 3.46Å; S305-K307 PolarHBondContact OG-N 3Å; K307-E309 PolarHBondContact O-N 3Å; K307-E309 VanDerWaalsContact O-N 3.15Å
308H77.8Confident86.2Confident180 Ų180142.1 Ų142.183%0.83375%0.745SS**PPolyproline II helixtrans-46.5122.7171.2-130.9-67.5000107.9F306 L310F306-H308 PolarHBondContact O-N 3.24Å; F306-H308 VanDerWaalsContact O-N 3.13Å; H308-L310 PolarHBondContact O-N 3.03Å
309E81.3Confident86Confident183 Ų183142.2 Ų142.286%0.85575%0.745SS**PPolyproline II helixtrans-51.4119.4173.4-73.5-177.6172.200107.1K307 S311K307-E309 PolarHBondContact O-N 3Å; K307-E309 VanDerWaalsContact O-N 3.15Å; E309-S311 PolarHBondContact O-N 2.74Å
310L79.4Confident85.8Confident173 Ų173144.7 Ų144.791%0.90675%0.754SS**  trans-59.3110.5-178-71.7164.1000106.7H308 A312H308-L310 PolarHBondContact O-N 3.03Å; L310-A312 PolarHBondContact O-N 3.22Å
311S82.2Confident85.7Confident107 Ų107146.9 Ų146.975%0.74877%0.766SS**  trans-51.7142.8171.354.50000108.8E309 Y313E309-S311 PolarHBondContact O-N 2.74Å; S311-Y313 PolarHBondContact O-N 2.93Å; S311-Y313 VanDerWaalsContact O-N 3.08Å
312A86Confident85.6Confident90 Ų90146.4 Ų146.474%0.74476%0.764SS**  trans-46.6121.4179.200000110.4L310 T314L310-A312 PolarHBondContact O-N 3.22Å; A312-T314 PolarHBondContact O-N 2.93Å; A312-T314 PolarHBondContact O-OG1 2.83Å
313Y89Confident85.7Confident191 Ų191141.6 Ų141.675%0.74975%0.747SS**  trans-57.5114.2-176.5172-99.7000109.8S311 K315S311-Y313 PolarHBondContact O-N 2.93Å; S311-Y313 VanDerWaalsContact O-N 3.08Å; Y313-K315 HydrophobicContact CE1-CB 4.07Å
314T90.3Very high85.9Confident123 Ų123139 Ų13976%0.75573%0.731SS**  trans-94.9110.8173.9-56.90000107.9A312A312-T314 PolarHBondContact O-N 2.93Å; A312-T314 PolarHBondContact O-OG1 2.83Å
315K88.2Confident86.2Confident167 Ų167134.4 Ų134.473%0.72672%0.72SS**  trans-57126.9177.5-176.9-179.6179.2179.10108.9Y313 A317Y313-K315 HydrophobicContact CE1-CB 4.07Å; K315-A317 PolarHBondContact O-N 3.34Å
316P87.9Confident86.4Confident79 Ų79134.6 Ų134.651%0.51372%0.718SS.*  trans-59.9130177.522.9-31.5000109.6I318P316-I318 PolarHBondContact O-N 2.9Å
317A90.5Very high86.8Confident102 Ų102130.4 Ų130.484%0.84370%0.699SS**  trans-71.6-9.8174.900000112.7K315 K319K315-A317 PolarHBondContact O-N 3.34Å; A317-K319 PolarHBondContact O-N 2.94Å
318I88.3Confident87.2Confident151 Ų151126.6 Ų126.677%0.77469%0.686SS**  trans-68.4111.8-179-55.4172.4000108.3P316P316-I318 PolarHBondContact O-N 2.9Å
319K86.7Confident87.9Confident191 Ų191123.4 Ų123.483%0.8368%0.676SS**  trans-69.5134.1168.4-66.2-179.1-178.61770107.7A317 D321A317-K319 PolarHBondContact O-N 2.94Å; K319-D321 PolarHBondContact O-N 3.27Å
320L86.9Confident88.4Confident144 Ų144122 Ų12275%0.75467%0.667SS**  trans-61.4122.5175.4-165.9140.8000108.5C322L320-C322 WeakPolarHBondContact CD2-SG 3.11Å; L320-C322 PolarHBondContact O-N 3.1Å; L320-C322 VanDerWaalsContact O-N 3.11Å
321D85.5Confident88.8Confident133 Ų133120.2 Ų120.271%0.71165%0.654SS**  trans-75.9100.5178.4-150.8-11.8000108.1K319 N323K319-D321 PolarHBondContact O-N 3.27Å; D321-N323 PolarHBondContact O-N 3.1Å; D321-N323 PolarHBondContact OD1-ND2 2.98Å
322C86.8Confident89.1Confident86 Ų86121 Ų12158%0.58166%0.656SS**  trans-89.318.5-175-63.40000112.9L320 S324L320-C322 WeakPolarHBondContact CD2-SG 3.11Å; L320-C322 PolarHBondContact O-N 3.1Å; L320-C322 VanDerWaalsContact O-N 3.11Å; C322-S324 PolarHBondContact O-N 3.02Å
323N88.2Confident89.1Confident86 Ų86125 Ų12546%0.4665%0.653SS.*  trans-86.694.3-178.7-66-38.8000109.6D321 L328D321-N323 PolarHBondContact O-N 3.1Å; D321-N323 PolarHBondContact OD1-ND2 2.98Å; N323-L328 HydrophobicContact CB-CD1 4.41Å; N323-L328 HydrophobicContact CB-CD2 4.16Å; N323-L328 HydrophobicContact CB-CG 4.27Å
324S89.8Confident89.1Confident61 Ų61119.7 Ų119.743%0.42764%0.641SS.*  trans-70.9152.716865.10000110.3C322 T326 K327 L328C322-S324 PolarHBondContact O-N 3.02Å; S324-T326 PolarHBondContact O-N 3.37Å; S324-K327 WeakPolarHBondContact O-CB 3.27Å; S324-K327 PolarHBondContact O-N 3.2Å; S324-K327 WeakPolarHBondContact OG-CB 3.38Å; S324-K327 PolarHBondContact OG-N 3.28Å; S324-L328 PolarHBondContact O-N 2.97Å; S324-L328 VanDerWaalsContact O-N 3.08Å
325V90.7Very high88.9Confident103 Ų103120.5 Ų120.562%0.62464%0.639SS**Hα-helixtrans-50.4-44.6173.9176.60000110.5K327 L328 D329V325-K327 VanDerWaalsContact C-N 3.33Å; V325-K327 PolarHBondContact O-N 3.16Å; V325-L328 PolarHBondContact O-N 2.86Å; V325-L328 VanDerWaalsContact O-N 3.11Å; V325-D329 WeakPolarHBondContact CG1-OD2 3.41Å; V325-D329 WeakPolarHBondContact O-CB 3.45Å; V325-D329 PolarHBondContact O-N 3.04Å
326T91.5Very high88.8Confident88 Ų88119.6 Ų119.654%0.5464%0.638SS.*Hα-helixtrans-59.4-38.9175.6-42.90000113.3S324 L328 D329 F330S324-T326 PolarHBondContact O-N 3.37Å; T326-L328 VanDerWaalsContact C-N 3.3Å; T326-D329 PolarHBondContact O-N 3.27Å; T326-F330 HydrophobicContact CG2-CD2 3.59Å; T326-F330 HydrophobicContact CG2-CE2 3.99Å; T326-F330 WeakPolarHBondContact O-CB 3.18Å; T326-F330 VanDerWaalsContact O-CD2 3.3Å; T326-F330 WeakPolarHBondContact O-CD2 3.43Å; T326-F330 PolarHBondContact O-N 2.86Å
327K92.4Very high88.7Confident124 Ų124120.4 Ų120.454%0.53964%0.635SS.*Hα-helixtrans-71.6-29.4179-168.5179.6178.9-170.10111.9S324 V325S324-K327 WeakPolarHBondContact O-CB 3.27Å; S324-K327 PolarHBondContact O-N 3.2Å; S324-K327 WeakPolarHBondContact OG-CB 3.38Å; S324-K327 PolarHBondContact OG-N 3.28Å; V325-K327 VanDerWaalsContact C-N 3.33Å; V325-K327 PolarHBondContact O-N 3.16Å
328L92.4Very high88.3Confident96 Ų96118.7 Ų118.750%0.50361%0.614SS.*Hα-helixtrans-75.5-41.5174-64.6174.6000111.4N323 S324 V325 T326N323-L328 HydrophobicContact CB-CD1 4.41Å; N323-L328 HydrophobicContact CB-CD2 4.16Å; N323-L328 HydrophobicContact CB-CG 4.27Å; S324-L328 PolarHBondContact O-N 2.97Å; S324-L328 VanDerWaalsContact O-N 3.08Å; V325-L328 PolarHBondContact O-N 2.86Å; V325-L328 VanDerWaalsContact O-N 3.11Å; T326-L328 VanDerWaalsContact C-N 3.3Å
329D92.8Very high88Confident113 Ų113116.7 Ų116.760%0.60460%0.604SS**Hα-helixtrans-73.4-36.3-177.5-67.8-14.8000112.9V325 T326V325-D329 WeakPolarHBondContact CG1-OD2 3.41Å; V325-D329 WeakPolarHBondContact O-CB 3.45Å; V325-D329 PolarHBondContact O-N 3.04Å; T326-D329 PolarHBondContact O-N 3.27Å
330F90.2Very high87.7Confident153 Ų153112.9 Ų112.967%0.67159%0.592SS**  trans-110.165.9-175.4-61.6-81000111.6T326T326-F330 HydrophobicContact CG2-CD2 3.59Å; T326-F330 HydrophobicContact CG2-CE2 3.99Å; T326-F330 WeakPolarHBondContact O-CB 3.18Å; T326-F330 VanDerWaalsContact O-CD2 3.3Å; T326-F330 WeakPolarHBondContact O-CD2 3.43Å; T326-F330 PolarHBondContact O-N 2.86Å
331Q88.7Confident87Confident137 Ų137110 Ų11064%0.6458%0.581SS**PPolyproline II helixtrans-71.6140.8168.6-62.9-151.3-2.100110.6Y333Q331-Y333 PolarHBondContact O-N 2.98Å
332P87.8Confident85.9Confident122 Ų122109.2 Ų109.279%0.79258%0.577SS**PPolyproline II helixtrans-60.3129.7175.824.8-32.3000109.7T334P332-T334 PolarHBondContact O-N 3.1Å
333Y86.4Confident84.7Confident175 Ų175109 Ų10969%0.68658%0.581SS**PPolyproline II helixtrans-59.3134.4175.7-63.7-75.7000110.1Q331 Q337Q331-Y333 PolarHBondContact O-N 2.98Å; Y333-Q337 HydrophobicContact CD1-CB 4.35Å
334T88.1Confident83.3Confident80 Ų80113.8 Ų113.849%0.49160%0.597SS.*PPolyproline II helixtrans-67151.9169.3200000109.6P332 E336 Q337 V338P332-T334 PolarHBondContact O-N 3.1Å; T334-E336 PolarHBondContact O-N 3.11Å; T334-E336 VanDerWaalsContact O-N 3.13Å; T334-Q337 VanDerWaalsContact N-OE1 3.1Å; T334-Q337 WeakPolarHBondContact O-CA 3.38Å; T334-Q337 WeakPolarHBondContact O-CB 2.98Å; T334-Q337 PolarHBondContact O-N 2.73Å; T334-Q337 VanDerWaalsContact OG1-CG 3.29Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.31Å; T334-Q337 PolarHBondContact OG1-OE1 3.01Å; T334-V338 PolarHBondContact O-N 2.83Å
335I86.4Confident81.6Confident140 Ų140113.4 Ų113.472%0.71860%0.595SS**Hα-helixtrans-53.4-38.4-179.6-61.5171.4000110.7V338 L339I335-V338 PolarHBondContact O-N 2.66Å; I335-L339 HydrophobicContact CG2-CD1 4.03Å; I335-L339 HydrophobicContact CG2-CG 4.45Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.47Å; I335-L339 PolarHBondContact O-N 2.64Å
336E86.9Confident79.7Confident147 Ų147114.5 Ų114.569%0.68760%0.602SS**Hα-helixtrans-63.8-39175.6-61.1-179.6-174.600113.2T334 L339 N340T334-E336 PolarHBondContact O-N 3.11Å; T334-E336 VanDerWaalsContact O-N 3.13Å; E336-L339 PolarHBondContact O-N 3.43Å; E336-N340 VanDerWaalsContact O-CB 3.3Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 VanDerWaalsContact O-CG 3.25Å; E336-N340 PolarHBondContact O-N 3Å; E336-N340 PolarHBondContact O-ND2 3.06Å
337Q86.2Confident77.8Confident96 Ų96119.3 Ų119.345%0.44962%0.616SS.*Hα-helixtrans-66.1-42.7175.2-70.6172.8-16.200111Y333 T334 L339 N340 V341Y333-Q337 HydrophobicContact CD1-CB 4.35Å; T334-Q337 VanDerWaalsContact N-OE1 3.1Å; T334-Q337 WeakPolarHBondContact O-CA 3.38Å; T334-Q337 WeakPolarHBondContact O-CB 2.98Å; T334-Q337 PolarHBondContact O-N 2.73Å; T334-Q337 VanDerWaalsContact OG1-CG 3.29Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.31Å; T334-Q337 PolarHBondContact OG1-OE1 3.01Å; Q337-L339 VanDerWaalsContact C-N 3.35Å; Q337-L339 PolarHBondContact O-N 3.44Å; Q337-N340 PolarHBondContact O-N 3.19Å; Q337-V341 VanDerWaalsContact O-CG2 3.23Å; Q337-V341 WeakPolarHBondContact O-CG2 3.33Å; Q337-V341 PolarHBondContact O-N 2.92Å
338V82.5Confident75.6Confident67 Ų67116.8 Ų116.841%0.40663%0.625SS.*Hα-helixtrans-62.3-43.3177.2-179.90000111.1T334 I335 N342T334-V338 PolarHBondContact O-N 2.83Å; I335-V338 PolarHBondContact O-N 2.66Å; V338-N342 PolarHBondContact O-N 3.2Å; V338-N342 VanDerWaalsContact O-N 3.08Å
339L81.8Confident73.4Confident108 Ų108122.5 Ų122.557%0.56564%0.64SS**Hα-helixtrans-67.8-39.6178.2-68.5173.4000112.2I335 E336 Q337 N342 A343I335-L339 HydrophobicContact CG2-CD1 4.03Å; I335-L339 HydrophobicContact CG2-CG 4.45Å; I335-L339 VanDerWaalsContact O-CG 3.31Å; I335-L339 WeakPolarHBondContact O-CG 3.47Å; I335-L339 PolarHBondContact O-N 2.64Å; E336-L339 PolarHBondContact O-N 3.43Å; Q337-L339 VanDerWaalsContact C-N 3.35Å; Q337-L339 PolarHBondContact O-N 3.44Å; L339-N342 PolarHBondContact O-N 2.92Å; L339-A343 WeakPolarHBondContact O-CB 3.09Å; L339-A343 PolarHBondContact O-N 3.15Å
340N79Confident71.1Confident111 Ų111126.4 Ų126.459%0.59465%0.651SS**Hα-helixtrans-70.2-33.7178.1-76.8-24.8000113.1E336 Q337 A343 K344E336-N340 VanDerWaalsContact O-CB 3.3Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 VanDerWaalsContact O-CG 3.25Å; E336-N340 PolarHBondContact O-N 3Å; E336-N340 PolarHBondContact O-ND2 3.06Å; Q337-N340 PolarHBondContact O-N 3.19Å; N340-A343 PolarHBondContact O-N 2.95Å; N340-K344 PolarHBondContact O-N 3.13Å
341V73.2Confident68.9Low83 Ų83124.2 Ų124.250%0.50365%0.65SS.*Hα-helixtrans-68.6-41.4173175.50000109.8Q337 A343 K344 S345Q337-V341 VanDerWaalsContact O-CG2 3.23Å; Q337-V341 WeakPolarHBondContact O-CG2 3.33Å; Q337-V341 PolarHBondContact O-N 2.92Å; V341-A343 VanDerWaalsContact C-N 3.29Å; V341-A343 PolarHBondContact O-N 2.98Å; V341-K344 PolarHBondContact O-N 3.24Å; V341-S345 WeakPolarHBondContact O-CA 3.35Å; V341-S345 WeakPolarHBondContact O-CB 3.48Å; V341-S345 PolarHBondContact O-N 2.96Å
342N63.2Low66.8Low118 Ų118124.3 Ų124.363%0.63165%0.653SS**Hα-helixtrans-68.1-26.6175.8-78-20.5000113.5V338 L339 K344V338-N342 PolarHBondContact O-N 3.2Å; V338-N342 VanDerWaalsContact O-N 3.08Å; L339-N342 PolarHBondContact O-N 2.92Å; N342-K344 VanDerWaalsContact C-N 3.32Å; N342-K344 PolarHBondContact O-N 3.1Å
343A60.7Low64.8Low80 Ų80126.9 Ų126.966%0.66165%0.654SS**Hα-helixtrans-73.2-21176.100000113.8L339 N340 V341L339-A343 WeakPolarHBondContact O-CB 3.09Å; L339-A343 PolarHBondContact O-N 3.15Å; N340-A343 PolarHBondContact O-N 2.95Å; V341-A343 VanDerWaalsContact C-N 3.29Å; V341-A343 PolarHBondContact O-N 2.98Å
344K59.1Low63Low187 Ų187121.9 Ų121.981%0.81364%0.639SS**Hα-helixtrans-122-6.9-178.7-64.7-174.5-178.8-179.60114.5N340 V341 N342 T346N340-K344 PolarHBondContact O-N 3.13Å; V341-K344 PolarHBondContact O-N 3.24Å; N342-K344 VanDerWaalsContact C-N 3.32Å; N342-K344 PolarHBondContact O-N 3.1Å; K344-T346 PolarHBondContact O-N 2.74Å
345S52.9Low61Low54 Ų54125.4 Ų125.438%0.37866%0.655SS.*  trans-82.763.8174.3-165.30000110.1V341 F347V341-S345 WeakPolarHBondContact O-CA 3.35Å; V341-S345 WeakPolarHBondContact O-CB 3.48Å; V341-S345 PolarHBondContact O-N 2.96Å; S345-F347 PolarHBondContact O-N 3.1Å; S345-F347 WeakPolarHBondContact OG-CB 3.37Å
346T51.4Low59.2Low125 Ų125124.8 Ų124.877%0.76765%0.653SS**  trans-67.565.4140.945.90000107.4K344 G348K344-T346 PolarHBondContact O-N 2.74Å; T346-G348 PolarHBondContact O-N 3.43Å
347F50.8Low57.1Low189 Ų189123.5 Ų123.583%0.82966%0.66SS**  trans-72.697.3171.9-133.5-95.3000107.2S345 R349S345-F347 PolarHBondContact O-N 3.1Å; S345-F347 WeakPolarHBondContact OG-CB 3.37Å; F347-R349 VanDerWaalsContact C-N 3.27Å; F347-R349 PolarHBondContact O-N 3.21Å
348G47.5Very low54.9Low71 Ų71121 Ų12173%0.73266%0.66SS**SBendtrans69.73.6148.300000118.4T346 K350T346-G348 PolarHBondContact O-N 3.43Å; G348-K350 VanDerWaalsContact C-N 3.29Å; G348-K350 PolarHBondContact O-N 2.92Å
349R44.6Very low53Low217 Ų217121.9 Ų121.982%0.81967%0.674SS**  trans-74.899143.1-89.2-169.9-174-175.13.2105.8F347 T351F347-R349 VanDerWaalsContact C-N 3.27Å; F347-R349 PolarHBondContact O-N 3.21Å; R349-T351 PolarHBondContact O-N 3.11Å
350K44.9Very low51.4Low195 Ų195125.5 Ų125.585%0.84869%0.688SS**  trans-52.982.4147.7-76.7179.3175.8178.50106.8G348 M352G348-K350 VanDerWaalsContact C-N 3.29Å; G348-K350 PolarHBondContact O-N 2.92Å; K350-M352 PolarHBondContact O-N 3.26Å
351T43.6Very low50.1Low106 Ų106128.8 Ų128.865%0.6570%0.7SS**  trans-68.289.8148.540.60000103.8R349 H353R349-T351 PolarHBondContact O-N 3.11Å; T351-H353 VanDerWaalsContact C-N 3.34Å; T351-H353 PolarHBondContact O-N 3.21Å
352M45.1Very low49.2Very low140 Ų140128.5 Ų128.569%0.6970%0.702SS**  trans-52.7111.3158-64.6-151.372.200105.2K350 N354K350-M352 PolarHBondContact O-N 3.26Å; M352-N354 PolarHBondContact O-N 2.89Å
353H47.3Very low49.2Very low176 Ų176125.3 Ų125.382%0.81570%0.697SS**  trans-63.584.9151.8-103.8-71.9000105.2T351 D355T351-H353 VanDerWaalsContact C-N 3.34Å; T351-H353 PolarHBondContact O-N 3.21Å; H353-D355 PolarHBondContact O-N 2.96Å; H353-D355 VanDerWaalsContact O-N 3.11Å
354N46.7Very low49.9Very low70 Ų70127.4 Ų127.437%0.37469%0.691SS.*  trans-69.786.4156.7-76.5-22.4000105.6M352 D356 G358M352-N354 PolarHBondContact O-N 2.89Å; N354-D356 WeakPolarHBondContact CB-O 3.36Å; N354-D356 PolarHBondContact O-N 3.49Å; N354-G358 WeakPolarHBondContact ND2-CA 3.49Å; N354-G358 PolarHBondContact ND2-O 2.86Å
355D47.7Very low50.9Low153 Ų153120 Ų12082%0.81866%0.66SS**SBendtrans-80.759.7134.9-70.5-27.9000106.8H353H353-D355 PolarHBondContact O-N 2.96Å; H353-D355 VanDerWaalsContact O-N 3.11Å
356D47.6Very low52.6Low127 Ų127122.5 Ų122.568%0.67967%0.665SS**SBendtrans-174.180.4166.5-125.7-6.3000107.5N354 G358N354-D356 WeakPolarHBondContact CB-O 3.36Å; N354-D356 PolarHBondContact O-N 3.49Å; D356-G358 VanDerWaalsContact C-N 3.29Å; D356-G358 PolarHBondContact O-N 3.42Å
357S43.4Very low54.3Low120 Ų120121.8 Ų121.884%0.83966%0.662SS**  trans36.135.8149.743.40000120.6A359S357-A359 PolarHBondContact O-N 3.43Å
358G39.6Very low56.1Low43 Ų43120.1 Ų120.144%0.44366%0.656SS.*  trans-96.190.3175.400000110.8N354 D356 Q360N354-G358 WeakPolarHBondContact ND2-CA 3.49Å; N354-G358 PolarHBondContact ND2-O 2.86Å; D356-G358 VanDerWaalsContact C-N 3.29Å; D356-G358 PolarHBondContact O-N 3.42Å; G358-Q360 PolarHBondContact O-N 3.13Å
359A43.5Very low58.1Low86 Ų86118.7 Ų118.771%0.71163%0.631SS**  trans-40.8122.9176.600000111.7S357 Q361S357-A359 PolarHBondContact O-N 3.43Å; A359-Q361 VanDerWaalsContact C-N 3.33Å; A359-Q361 PolarHBondContact O-N 2.72Å
360Q47.4Very low60.3Low185 Ų185110.6 Ų110.686%0.86460%0.604SS**  trans-50.5106.7156.6-71.8-178.1-13.100106.2G358 S362G358-Q360 PolarHBondContact O-N 3.13Å; Q360-S362 PolarHBondContact O-N 3.24Å
361Q50.7Low62.5Low180 Ų180108.2 Ų108.284%0.84159%0.593SS**  trans-68.577.8168.3-70.3-172-0.500106.2A359 G363A359-Q361 VanDerWaalsContact C-N 3.33Å; A359-Q361 PolarHBondContact O-N 2.72Å; Q361-G363 PolarHBondContact O-N 3.09Å
362S54.5Low64.9Low76 Ų76107.7 Ų107.753%0.53159%0.586SS.*  trans-40.1127.2152.353.60000105.9Q360 K364Q360-S362 PolarHBondContact O-N 3.24Å; S362-K364 VanDerWaalsContact O-CG 3.27Å; S362-K364 WeakPolarHBondContact O-CG 3.35Å; S362-K364 PolarHBondContact O-N 3.04Å
363G63.4Low67.2Low52 Ų52101.1 Ų101.154%0.53655%0.554SS.*  trans-6463.4-163.500000115.1Q361Q361-G363 PolarHBondContact O-N 3.09Å
364K76.1Confident69.5Low123 Ų12396.3 Ų96.354%0.53553%0.528SS..PPolyproline II helixtrans-73.4124.7171-49.3-153.2168.4-1560106.9D21 S362 K366D21-K364 WeakPolarHBondContact OD1-CE 3.47Å; D21-K364 IonicContact OD1-NZ 2.69Å; D21-K364 PolarHBondContact OD1-NZ 3.43Å; D21-K364 WeakPolarHBondContact OD2-CD 3.4Å; D21-K364 WeakPolarHBondContact OD2-CE 3.38Å; D21-K364 WeakPolarHBondContact OD2-CG 3.39Å; D21-K364 IonicContact OD2-NZ 3.28Å; D21-K364 PolarHBondContact OD2-NZ 2.77Å; S362-K364 VanDerWaalsContact O-CG 3.27Å; S362-K364 WeakPolarHBondContact O-CG 3.35Å; S362-K364 PolarHBondContact O-N 3.04Å; K364-K366 PolarHBondContact O-N 3.22Å
365L80.4Confident71.8Confident32 Ų3296.7 Ų96.717%0.16853%0.531CS..PPolyproline II helixtrans-61133.4171.2-74.6157.2000108.5I43 L46 E369 L370 L373I43-L365 HydrophobicContact CD1-CD1 4.22Å; I43-L365 HydrophobicContact CG1-CD1 4.3Å; L46-L365 HydrophobicContact CD1-CD2 4.22Å; L365-E369 WeakPolarHBondContact CA-OE2 3.44Å; L365-E369 HydrophobicContact CB-CB 4.32Å; L365-E369 HydrophobicContact CD2-CB 3.94Å; L365-L370 HydrophobicContact CB-CD2 3.85Å; L365-L370 HydrophobicContact CB-CG 3.84Å; L365-L370 HydrophobicContact CD1-CD2 3.92Å; L365-L373 HydrophobicContact CD1-CD2 4.34Å
366K87.5Confident74.1Confident107 Ų10793.2 Ų93.247%0.46551%0.507SS..PPolyproline II helixtrans-60.6151.2173.6-68.2175.2-177.9171.20109K364 E368 E369 L370K364-K366 PolarHBondContact O-N 3.22Å; K366-E368 PolarHBondContact O-N 3.36Å; K366-E368 VanDerWaalsContact O-N 3.07Å; K366-E369 HydrophobicContact CB-CG 4.13Å; K366-E369 PolarHBondContact N-OE2 3.06Å; K366-E369 WeakPolarHBondContact O-CA 3.43Å; K366-E369 WeakPolarHBondContact O-CB 3.3Å; K366-E369 PolarHBondContact O-N 3.44Å; K366-L370 PolarHBondContact O-N 3.1Å
367P87.6Confident76.3Confident109 Ų10987.2 Ų87.271%0.70847%0.474SS*.Hα-helixtrans-56-29.9178.820.1-31.9000113.2K371P367-K371 PolarHBondContact O-N 3.21Å; P367-K371 VanDerWaalsContact O-N 3.08Å
368E88.7Confident78.8Confident154 Ų15484.6 Ų84.672%0.7245%0.448SS*.Hα-helixtrans-68.2-39.8173.3-61.9-173.3166.100113K366 K371 L372K366-E368 PolarHBondContact O-N 3.36Å; K366-E368 VanDerWaalsContact O-N 3.07Å; E368-K371 PolarHBondContact O-N 3.21Å; E368-L372 PolarHBondContact O-N 2.88Å
369E89.8Confident81.4Confident41 Ų4187.8 Ų87.819%0.19246%0.455CS..Hα-helixtrans-69.3-37.2177.4-64.8171.2163.700110.9L46 L365 K366 K371 L372 L373L46-E369 HydrophobicContact CD1-CB 4.05Å; L46-E369 HydrophobicContact CD1-CG 4.36Å; L365-E369 WeakPolarHBondContact CA-OE2 3.44Å; L365-E369 HydrophobicContact CB-CB 4.32Å; L365-E369 HydrophobicContact CD2-CB 3.94Å; K366-E369 HydrophobicContact CB-CG 4.13Å; K366-E369 PolarHBondContact N-OE2 3.06Å; K366-E369 WeakPolarHBondContact O-CA 3.43Å; K366-E369 WeakPolarHBondContact O-CB 3.3Å; K366-E369 PolarHBondContact O-N 3.44Å; E369-K371 VanDerWaalsContact C-N 3.35Å; E369-L372 WeakPolarHBondContact O-CB 3.41Å; E369-L372 PolarHBondContact O-N 3.3Å; E369-L373 WeakPolarHBondContact O-CB 3.41Å; E369-L373 PolarHBondContact O-N 3.05Å
370L90.2Very high83.8Confident48 Ų4885.8 Ų85.825%0.25143%0.432SS..Hα-helixtrans-62.3-41.4171.9-72.4172.9000111.6L28 L365 K366 L372 L373 R374L28-L370 HydrophobicContact CD2-CD2 4.06Å; L365-L370 HydrophobicContact CB-CD2 3.85Å; L365-L370 HydrophobicContact CB-CG 3.84Å; L365-L370 HydrophobicContact CD1-CD2 3.92Å; K366-L370 PolarHBondContact O-N 3.1Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3.16Å; L370-L373 PolarHBondContact O-N 3.02Å; L370-R374 VanDerWaalsContact O-CB 3.28Å; L370-R374 WeakPolarHBondContact O-CB 3.45Å; L370-R374 PolarHBondContact O-N 3.34Å
371K92.7Very high86Confident144 Ų14481.8 Ų81.863%0.62641%0.411SS*.Hα-helixtrans-63.2-41.1175.6-170.1177.6-179.1-1800111.8P367 E368 E369 R374 N375P367-K371 PolarHBondContact O-N 3.21Å; P367-K371 VanDerWaalsContact O-N 3.08Å; E368-K371 PolarHBondContact O-N 3.21Å; E369-K371 VanDerWaalsContact C-N 3.35Å; K371-R374 PolarHBondContact O-N 3.34Å; K371-N375 PolarHBondContact O-N 3.12Å
372L93.3Very high88Confident95 Ų9576.4 Ų76.450%0.49739%0.394SS..Hα-helixtrans-63.8-46.5175-78.7164.6000112F42 E368 E369 L370 R374 N375 Y376F42-L372 HydrophobicContact CE1-CB 4.32Å; F42-L372 HydrophobicContact CZ-CB 4.07Å; E368-L372 PolarHBondContact O-N 2.88Å; E369-L372 WeakPolarHBondContact O-CB 3.41Å; E369-L372 PolarHBondContact O-N 3.3Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3.16Å; L372-R374 VanDerWaalsContact C-N 3.33Å; L372-R374 PolarHBondContact O-N 3.17Å; L372-N375 PolarHBondContact O-N 3Å; L372-Y376 WeakPolarHBondContact O-CB 3.41Å; L372-Y376 PolarHBondContact O-N 3.45Å
373L93.7Very high89.7Confident2 Ų275.7 Ų75.71%0.0139%0.393CS..Hα-helixtrans-60.1-44.8176.2177.763.9000110.9L28 T39 F42 L365 E369 L370 N375 Y376 L377L28-L373 HydrophobicContact CD1-CG 4.49Å; T39-L373 HydrophobicContact CG2-CD1 4.17Å; T39-L373 HydrophobicContact CG2-CD2 4.28Å; F42-L373 HydrophobicContact CB-CD1 4.2Å; F42-L373 HydrophobicContact CD1-CB 4.12Å; F42-L373 HydrophobicContact CD1-CD1 3.58Å; F42-L373 HydrophobicContact CD1-CG 4.44Å; F42-L373 HydrophobicContact CE1-CB 3.94Å; F42-L373 HydrophobicContact CE1-CD1 4.22Å; F42-L373 HydrophobicContact CG-CD1 4.09Å; L365-L373 HydrophobicContact CD1-CD2 4.34Å; E369-L373 WeakPolarHBondContact O-CB 3.41Å; E369-L373 PolarHBondContact O-N 3.05Å; L370-L373 PolarHBondContact O-N 3.02Å; L373-N375 PolarHBondContact O-N 3.1Å; L373-Y376 PolarHBondContact O-N 3Å; L373-L377 HydrophobicContact CD1-CD1 3.99Å; L373-L377 HydrophobicContact CD1-CG 4.07Å; L373-L377 HydrophobicContact CG-CD1 4.03Å; L373-L377 HydrophobicContact CG-CG 4.43Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.22Å
374R94.2Very high90.9Very high75 Ų7581.5 Ų81.528%0.28340%0.398SS..Hα-helixtrans-59.5-46.5178.2-167.2-177.4-138.2-147.1-2.5112.1D25 E27 L28 L370 K371 L372 L377 K378D25-R374 IonicContact OD1-CZ 3.67Å; D25-R374 IonicContact OD1-NE 3.9Å; D25-R374 IonicContact OD1-NH2 4Å; D25-R374 PolarHBondContact OD1-NH2 3.37Å; D25-R374 IonicContact OD2-CZ 3.02Å; D25-R374 IonicContact OD2-NE 2.88Å; D25-R374 PolarHBondContact OD2-NE 2.87Å; D25-R374 IonicContact OD2-NH2 2.81Å; D25-R374 PolarHBondContact OD2-NH2 2.95Å; E27-R374 IonicContact OE2-CZ 3.66Å; E27-R374 IonicContact OE2-NH2 2.79Å; E27-R374 PolarHBondContact OE2-NH2 3.18Å; L28-R374 HydrophobicContact CD1-CB 4.04Å; L28-R374 HydrophobicContact CD1-CG 4.25Å; L370-R374 VanDerWaalsContact O-CB 3.28Å; L370-R374 WeakPolarHBondContact O-CB 3.45Å; L370-R374 PolarHBondContact O-N 3.34Å; K371-R374 PolarHBondContact O-N 3.34Å; L372-R374 VanDerWaalsContact C-N 3.33Å; L372-R374 PolarHBondContact O-N 3.17Å; R374-L377 PolarHBondContact O-N 3.36Å; R374-K378 WeakPolarHBondContact O-CB 3.27Å; R374-K378 WeakPolarHBondContact O-CG 3.23Å; R374-K378 PolarHBondContact O-N 2.79Å
375N95.1Very high91.1Very high79 Ų7981.1 Ų81.142%0.42240%0.402SS..Hα-helixtrans-62.8-46.3177-71.8-9.6000111.2K371 L372 L373 L377 K378 D379K371-N375 PolarHBondContact O-N 3.12Å; L372-N375 PolarHBondContact O-N 3Å; L373-N375 PolarHBondContact O-N 3.1Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.47Å; N375-K378 PolarHBondContact O-N 3.12Å; N375-D379 VanDerWaalsContact O-CG 3.27Å; N375-D379 PolarHBondContact O-N 3.4Å
376Y96Very high91.1Very high80 Ų8086.7 Ų86.731%0.31443%0.427SS..Hα-helixtrans-57.2-44.5177.5173.6-110.1000112.6E38 F42 L372 L373 D379 L380E38-Y376 HydrophobicContact CB-CE1 4.1Å; F42-Y376 HydrophobicContact CB-CD1 4.12Å; F42-Y376 HydrophobicContact CB-CE1 3.99Å; F42-Y376 AromaticContact CD2-CD1 3.61Å; F42-Y376 HydrophobicContact CD2-CD1 3.61Å; F42-Y376 HydrophobicContact CD2-CD2 4.13Å; F42-Y376 AromaticContact CD2-CE1 3.93Å; F42-Y376 HydrophobicContact CD2-CE1 3.93Å; F42-Y376 HydrophobicContact CD2-CE2 4.43Å; F42-Y376 AromaticContact CD2-CG 3.71Å; F42-Y376 HydrophobicContact CD2-CG 3.71Å; F42-Y376 HydrophobicContact CE2-CD1 4.19Å; F42-Y376 HydrophobicContact CE2-CD2 4.22Å; F42-Y376 AromaticContact CE2-CG 3.84Å; F42-Y376 HydrophobicContact CE2-CG 3.84Å; F42-Y376 AromaticContact CG-CD1 3.92Å; F42-Y376 HydrophobicContact CG-CD1 3.92Å; F42-Y376 HydrophobicContact CG-CE1 4.22Å; F42-Y376 HydrophobicContact CG-CG 4.4Å; L372-Y376 WeakPolarHBondContact O-CB 3.41Å; L372-Y376 PolarHBondContact O-N 3.45Å; L373-Y376 PolarHBondContact O-N 3Å; Y376-D379 PolarHBondContact O-N 2.94Å; Y376-L380 HydrophobicContact CD1-CD1 4.09Å; Y376-L380 HydrophobicContact CE1-CD1 3.51Å; Y376-L380 HydrophobicContact CE1-CG 4.47Å; Y376-L380 HydrophobicContact CE2-CD1 4.15Å; Y376-L380 HydrophobicContact CE2-CG 4.33Å; Y376-L380 WeakPolarHBondContact O-CG 3.45Å; Y376-L380 PolarHBondContact O-N 2.96Å
377L95.2Very high90Very high0 Ų089.6 Ų89.60%044%0.442CS..Hα-helixtrans-71.8-33.4178.6-63.6178.4000112.6L28 L31 I32 F35 L373 R374 N375 L380 K381L28-L377 HydrophobicContact CD1-CD1 4.06Å; L31-L377 HydrophobicContact CB-CB 3.91Å; L31-L377 HydrophobicContact CB-CD1 3.88Å; L31-L377 HydrophobicContact CD1-CB 4.11Å; L31-L377 HydrophobicContact CD2-CB 4.15Å; L31-L377 HydrophobicContact CG-CB 4.29Å; I32-L377 HydrophobicContact CG1-CD1 3.86Å; F35-L377 HydrophobicContact CB-CD2 3.96Å; F35-L377 HydrophobicContact CD2-CD2 4.41Å; L373-L377 HydrophobicContact CD1-CD1 3.99Å; L373-L377 HydrophobicContact CD1-CG 4.07Å; L373-L377 HydrophobicContact CG-CD1 4.03Å; L373-L377 HydrophobicContact CG-CG 4.43Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.22Å; R374-L377 PolarHBondContact O-N 3.36Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.47Å; L377-L380 HydrophobicContact CD2-CD1 4.17Å; L377-L380 PolarHBondContact O-N 3Å; L377-K381 WeakPolarHBondContact O-CB 3.42Å; L377-K381 PolarHBondContact O-N 3.37Å
378K95Very high88.6Confident66 Ų6691 Ų9129%0.28744%0.443SS..Hα-helixtrans-64.9-40.3172.1-76.4-175-175.4-157.10111.8E27 L31 R374 N375 K381 S382E27-K378 VanDerWaalsContact CD-CE 3.43Å; E27-K378 WeakPolarHBondContact OE1-CE 3.4Å; E27-K378 IonicContact OE1-NZ 2.78Å; E27-K378 PolarHBondContact OE1-NZ 3.36Å; E27-K378 WeakPolarHBondContact OE2-CE 3.38Å; E27-K378 IonicContact OE2-NZ 3.97Å; E27-K378 PolarHBondContact OE2-NZ 3.08Å; L31-K378 HydrophobicContact CD1-CG 3.85Å; R374-K378 WeakPolarHBondContact O-CB 3.27Å; R374-K378 WeakPolarHBondContact O-CG 3.23Å; R374-K378 PolarHBondContact O-N 2.79Å; N375-K378 PolarHBondContact O-N 3.12Å; K378-K381 PolarHBondContact O-N 3.26Å; K378-S382 WeakPolarHBondContact O-CB 3.42Å; K378-S382 PolarHBondContact O-N 2.78Å; K378-S382 PolarHBondContact O-OG 3.05Å
379D94.5Very high87.2Confident109 Ų10988.8 Ų88.858%0.58344%0.442SS*.Hα-helixtrans-64.4-43175.6-68.2-17.6000110.7N375 Y376 S382 A383N375-D379 VanDerWaalsContact O-CG 3.27Å; N375-D379 PolarHBondContact O-N 3.4Å; Y376-D379 PolarHBondContact O-N 2.94Å; D379-S382 PolarHBondContact O-N 2.73Å; D379-A383 WeakPolarHBondContact O-CB 3.06Å; D379-A383 PolarHBondContact O-N 3.13Å
380L93.4Very high85.6Confident44 Ų4495.9 Ų95.923%0.2347%0.473CS..Hα-helixtrans-62-42.9174.1-77.9175.1000112.7F35 E38 Y376 L377 S382 A383 R384F35-L380 HydrophobicContact CE1-CB 4.36Å; F35-L380 HydrophobicContact CE2-CB 4.31Å; F35-L380 HydrophobicContact CZ-CB 4.2Å; E38-L380 HydrophobicContact CB-CD1 3.76Å; E38-L380 HydrophobicContact CG-CD1 3.91Å; Y376-L380 HydrophobicContact CD1-CD1 4.09Å; Y376-L380 HydrophobicContact CE1-CD1 3.51Å; Y376-L380 HydrophobicContact CE1-CG 4.47Å; Y376-L380 HydrophobicContact CE2-CD1 4.15Å; Y376-L380 HydrophobicContact CE2-CG 4.33Å; Y376-L380 WeakPolarHBondContact O-CG 3.45Å; Y376-L380 PolarHBondContact O-N 2.96Å; L377-L380 HydrophobicContact CD2-CD1 4.17Å; L377-L380 PolarHBondContact O-N 3Å; L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 3.22Å; L380-A383 PolarHBondContact O-N 2.82Å; L380-R384 WeakPolarHBondContact O-CB 3.38Å; L380-R384 PolarHBondContact O-N 2.97Å
381K93.7Very high84.1Confident101 Ų10199.5 Ų99.544%0.43949%0.491SS..Hα-helixtrans-62.8-41.2175.3-172174.9178.41790111.4L31 F35 L377 K378 R384 N385L31-K381 HydrophobicContact CD2-CB 4.04Å; L31-K381 HydrophobicContact CD2-CD 3.71Å; L31-K381 HydrophobicContact CD2-CG 4.47Å; F35-K381 HydrophobicContact CE2-CB 4.1Å; F35-K381 HydrophobicContact CZ-CB 4.48Å; L377-K381 WeakPolarHBondContact O-CB 3.42Å; L377-K381 PolarHBondContact O-N 3.37Å; K378-K381 PolarHBondContact O-N 3.26Å; K381-R384 PolarHBondContact O-N 3.11Å; K381-N385 WeakPolarHBondContact O-CB 3.41Å; K381-N385 PolarHBondContact O-N 2.75Å; K381-N385 PolarHBondContact O-ND2 3.4Å
382S92.8Very high83.6Confident67 Ų6797.3 Ų97.347%0.46948%0.484SS..Hα-helixtrans-67-43178.4-57.40000111.5K378 D379 L380 R384 N385 Q386K378-S382 WeakPolarHBondContact O-CB 3.42Å; K378-S382 PolarHBondContact O-N 2.78Å; K378-S382 PolarHBondContact O-OG 3.05Å; D379-S382 PolarHBondContact O-N 2.73Å; L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 3.22Å; S382-R384 VanDerWaalsContact C-N 3.29Å; S382-R384 PolarHBondContact O-N 3.03Å; S382-N385 PolarHBondContact O-N 3.06Å; S382-Q386 PolarHBondContact O-N 2.81Å
383A90.2Very high83.1Confident62 Ų6297.4 Ų97.451%0.51248%0.483SS..Hα-helixtrans-64-33.4174.900000112.6D379 L380D379-A383 WeakPolarHBondContact O-CB 3.06Å; D379-A383 PolarHBondContact O-N 3.13Å; L380-A383 PolarHBondContact O-N 2.82Å
384R88Confident82.5Confident174 Ų174102.7 Ų102.766%0.65751%0.51SS*.Hα-helixtrans-73.4-32176.4-168.1174.7-177.2172.80.2113F35 L380 K381 S382F35-R384 HydrophobicContact CZ-CB 4.5Å; L380-R384 WeakPolarHBondContact O-CB 3.38Å; L380-R384 PolarHBondContact O-N 2.97Å; K381-R384 PolarHBondContact O-N 3.11Å; S382-R384 VanDerWaalsContact C-N 3.29Å; S382-R384 PolarHBondContact O-N 3.03Å
385N81.7Confident81.8Confident114 Ų114104.3 Ų104.361%0.6152%0.523SS*.Hα-helixtrans-86-15.1179.3-71.6-14.6000113.7K381 S382 E387K381-N385 WeakPolarHBondContact O-CB 3.41Å; K381-N385 PolarHBondContact O-N 2.75Å; K381-N385 PolarHBondContact O-ND2 3.4Å; S382-N385 PolarHBondContact O-N 3.06Å; N385-E387 PolarHBondContact O-N 3.21Å
386Q79Confident81Confident149 Ų149105.9 Ų105.970%0.69653%0.529SS*.SBendtrans-68.291.8163.6-74.7-1783.100107.3S382 L388S382-Q386 PolarHBondContact O-N 2.81Å; Q386-L388 VanDerWaalsContact C-N 3.35Å; Q386-L388 PolarHBondContact O-N 3.1Å
387E64.5Low80Confident168 Ų168107.6 Ų107.679%0.78554%0.544SS*.  trans-50.2107.4163.6-76.9-16515200106.6N385 P389N385-E387 PolarHBondContact O-N 3.21Å; E387-P389 VanDerWaalsContact O-N 3.11Å
388L59Low78.9Confident138 Ų138115.3 Ų115.372%0.72358%0.582SS**  trans-47.2125170.9-77.4163.9000106.3Q386 K390Q386-L388 VanDerWaalsContact C-N 3.35Å; Q386-L388 PolarHBondContact O-N 3.1Å; L388-K390 PolarHBondContact O-N 3.47Å
389P58.9Low77.7Confident108 Ų108119.1 Ų119.170%0.70161%0.605SS**  trans-51.4120.7177.618.3-29.1000107.3E387 I391E387-P389 VanDerWaalsContact O-N 3.11Å; P389-I391 VanDerWaalsContact C-N 3.32Å; P389-I391 PolarHBondContact O-N 3.23Å
390K57.1Low76.3Confident191 Ų191119.9 Ų119.983%0.8361%0.607SS**  trans-61.499.5176.9-75.6175.1-178.4164.70106.6L388L388-K390 PolarHBondContact O-N 3.47Å
391I57.3Low74.7Confident123 Ų123126.8 Ų126.863%0.63164%0.641SS**  trans-71.40169.6-63.8168.9000108.1L223 K224 P389L223-I391 HydrophobicContact CB-CG2 3.92Å; L223-I391 HydrophobicContact CD2-CB 3.64Å; L223-I391 HydrophobicContact CD2-CD1 3.62Å; L223-I391 HydrophobicContact CD2-CG1 4.21Å; L223-I391 HydrophobicContact CD2-CG2 3.71Å; L223-I391 HydrophobicContact CG-CG2 4.41Å; K224-I391 VanDerWaalsContact CB-OXT 3.31Å; K224-I391 WeakPolarHBondContact CB-OXT 3.36Å; K224-I391 PolarHBondContact N-O 3.27Å; P389-I391 VanDerWaalsContact C-N 3.32Å; P389-I391 PolarHBondContact O-N 3.23Å

Retrieved 391 of 391 residues in 356.1 ms (Link to these results)