A0A077ZL86_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 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
1M37.1Very low37.7Very low245 Ų245142.1 Ų142.1100%1.20777%0.772SS**  093.40-86174.9161.200108.6
2V31.9Very low38.8Very low148 Ų148140.3 Ų140.390%0.89776%0.759SS**  trans-106.8101.9171.6176.10000106.3
3A37.3Very low38.6Very low102 Ų102143.2 Ų143.284%0.84375%0.753SS**  trans-132.198.3155.700000105.3
4A33.5Very low39.7Very low77 Ų77140.9 Ų140.964%0.63674%0.739SS**  trans-64134.2-166.900000113.4G6A4-G6 PolarHBondContact O-N 3.48Å
5Y32.1Very low40.6Very low249 Ų249136.8 Ų136.898%0.97673%0.725SS**  1738.2117.7-70.2-83.3000120.8
6G36Very low41.6Very low50 Ų50132.4 Ų132.452%0.51571%0.705SS.*  trans-105.1-8.4-175.300000118.1A4A4-G6 PolarHBondContact O-N 3.48Å
7L37Very low42.6Very low134 Ų134128.9 Ų128.970%0.70269%0.685SS**SBendtrans-120.4-2.1-162.2-92.9143.6000117.1
8K41.9Very low43.6Very low192 Ų192127.8 Ų127.884%0.83568%0.676SS**THydrogen-bonded Turntrans-82.1-15.2-178.2-81.6-175176.4-179.80115.1
9T44.4Very low44.6Very low101 Ų101127 Ų12762%0.6267%0.671SS**THydrogen-bonded Turntrans-88.4-30.2-175.647.30000113.8F11T9-F11 PolarHBondContact O-N 3.07Å
10N39.8Very low45.4Very low102 Ų102125.8 Ų125.855%0.54566%0.664SS.*Hα-helixtrans-73.3-27.5-177.3-75.1-37.9000114I12N10-I12 PolarHBondContact O-N 3.1Å
11F44.2Very low46.3Very low163 Ų163125.8 Ų125.872%0.71566%0.658SS**Hα-helixtrans-76.6-22.8-172.9-110.6-88.4000114.6T9 P15T9-F11 PolarHBondContact O-N 3.07Å; F11-P15 WeakPolarHBondContact O-CD 3.4Å; F11-P15 WeakPolarHBondContact O-CG 3.48Å
12I50Low47.4Very low120 Ų120121 Ų12162%0.61563%0.631SS**Hα-helixtrans-84.5-27.4179-61171.1000111N10 P15 T16N10-I12 PolarHBondContact O-N 3.1Å; I12-P15 WeakPolarHBondContact O-CD 3.41Å; I12-T16 PolarHBondContact O-OG1 3.07Å
13W37.2Very low48.5Very low179 Ų179118 Ų11868%0.67861%0.609SS**Hα-helixtrans-71-38.5-177.7-90.877.6000113.4T16 I17W13-T16 PolarHBondContact O-N 3.17Å; W13-I17 HydrophobicContact CE3-CD1 3.9Å; W13-I17 HydrophobicContact CE3-CG1 4.36Å; W13-I17 VanDerWaalsContact O-CG1 3.31Å; W13-I17 WeakPolarHBondContact O-CG1 3.08Å; W13-I17 PolarHBondContact O-N 2.9Å
14I53.5Low49.2Very low110 Ų110121.1 Ų121.156%0.56460%0.6SS**Hα-helixtrans-66.7-47.4-174.6-59.2167.8000112.9T16 Q18I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.35Å; I14-Q18 WeakPolarHBondContact O-CG 3.31Å; I14-Q18 PolarHBondContact O-N 3.23Å
15P52.4Low50.6Low80 Ų80121.8 Ų121.852%0.51959%0.592SS.*Hα-helixtrans-63-38.7175.9-18.429.5000112.1F11 I12 Q18 L19F11-P15 WeakPolarHBondContact O-CD 3.4Å; F11-P15 WeakPolarHBondContact O-CG 3.48Å; I12-P15 WeakPolarHBondContact O-CD 3.41Å; P15-Q18 PolarHBondContact O-N 3.18Å; P15-L19 WeakPolarHBondContact O-CB 3.34Å; P15-L19 PolarHBondContact O-N 3.1Å
16T57.4Low51.8Low66 Ų66119.2 Ų119.241%0.40558%0.581SS.*Hα-helixtrans-67.1-43.1-177.3-45.20000111.1I12 W13 I14 Q18 L19 I20I12-T16 PolarHBondContact O-OG1 3.07Å; W13-T16 PolarHBondContact O-N 3.17Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.35Å; T16-Q18 PolarHBondContact O-N 3.34Å; T16-L19 PolarHBondContact O-N 3.1Å; T16-I20 HydrophobicContact CG2-CD1 4.06Å; T16-I20 WeakPolarHBondContact O-CB 3.37Å; T16-I20 WeakPolarHBondContact O-CD1 3.47Å; T16-I20 VanDerWaalsContact O-CG1 3.22Å; T16-I20 WeakPolarHBondContact O-CG1 3.45Å; T16-I20 PolarHBondContact O-N 2.73Å
17I58.8Low52.6Low73 Ų73126 Ų12637%0.37459%0.591SS.*Hα-helixtrans-63-42.5175-68.1164.2000111.4W13 I20 K21W13-I17 HydrophobicContact CE3-CD1 3.9Å; W13-I17 HydrophobicContact CE3-CG1 4.36Å; W13-I17 VanDerWaalsContact O-CG1 3.31Å; W13-I17 WeakPolarHBondContact O-CG1 3.08Å; W13-I17 PolarHBondContact O-N 2.9Å; I17-I20 PolarHBondContact O-N 3.23Å; I17-K21 HydrophobicContact CG2-CD 4.38Å; I17-K21 WeakPolarHBondContact O-CG 3.47Å; I17-K21 PolarHBondContact O-N 3.2Å
18Q60.4Low54.4Low110 Ų110122 Ų12251%0.51457%0.572SS.*Hα-helixtrans-65.2-39.1178.3-75.5-72.84.400112.2I14 P15 T16 K21 K22I14-Q18 WeakPolarHBondContact O-CG 3.31Å; I14-Q18 PolarHBondContact O-N 3.23Å; P15-Q18 PolarHBondContact O-N 3.18Å; T16-Q18 PolarHBondContact O-N 3.34Å; Q18-K21 PolarHBondContact O-N 2.85Å; Q18-K22 PolarHBondContact O-N 2.81Å
19L61.8Low55.5Low112 Ų112120.7 Ų120.759%0.58656%0.562SS**Hα-helixtrans-66.2-43.6175.6-16278.4000111.3P15 T16 K22 L23P15-L19 WeakPolarHBondContact O-CB 3.34Å; P15-L19 PolarHBondContact O-N 3.1Å; T16-L19 PolarHBondContact O-N 3.1Å; L19-K22 PolarHBondContact O-N 2.68Å; L19-L23 HydrophobicContact CD2-CD1 4.39Å; L19-L23 HydrophobicContact CG-CD1 4.07Å; L19-L23 WeakPolarHBondContact O-CB 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.26Å
20I61.9Low56.8Low103 Ų103118.8 Ų118.853%0.52856%0.557SS.*Hα-helixtrans-62-43.4176.1-68.7165.1000110.8T16 I17 L23 Y24T16-I20 HydrophobicContact CG2-CD1 4.06Å; T16-I20 WeakPolarHBondContact O-CB 3.37Å; T16-I20 WeakPolarHBondContact O-CD1 3.47Å; T16-I20 VanDerWaalsContact O-CG1 3.22Å; T16-I20 WeakPolarHBondContact O-CG1 3.45Å; T16-I20 PolarHBondContact O-N 2.73Å; I17-I20 PolarHBondContact O-N 3.23Å; I20-L23 PolarHBondContact O-N 3.35Å; I20-Y24 VanDerWaalsContact O-CB 3.26Å; I20-Y24 WeakPolarHBondContact O-CB 3.33Å; I20-Y24 PolarHBondContact O-N 3.08Å
21K63.4Low58.6Low126 Ų126116.7 Ų116.755%0.54855%0.554SS.*Hα-helixtrans-61.3-47.4175.8-77.4-176.2178.3-175.30112I17 Q18 L23 Y24 I25I17-K21 HydrophobicContact CG2-CD 4.38Å; I17-K21 WeakPolarHBondContact O-CG 3.47Å; I17-K21 PolarHBondContact O-N 3.2Å; Q18-K21 PolarHBondContact O-N 2.85Å; K21-L23 PolarHBondContact O-N 2.85Å; K21-Y24 PolarHBondContact O-N 2.96Å; K21-I25 WeakPolarHBondContact O-CB 3.04Å; K21-I25 WeakPolarHBondContact O-CD1 3.14Å; K21-I25 WeakPolarHBondContact O-CG1 3.44Å; K21-I25 PolarHBondContact O-N 2.74Å
22K61.4Low60Low145 Ų145112.8 Ų112.863%0.6354%0.539SS*.Hα-helixtrans-63.4-40.4178.3-79-173.3177.5-176.90112.5Q18 L19 R26Q18-K22 PolarHBondContact O-N 2.81Å; L19-K22 PolarHBondContact O-N 2.68Å; K22-R26 WeakPolarHBondContact O-CG 2.91Å; K22-R26 PolarHBondContact O-N 3.11Å
23L53.4Low61.5Low84 Ų84112.2 Ų112.244%0.4454%0.537SS..Hα-helixtrans-62.9-58.3173.6-81.1156.8000109.4L19 I20 K21 I25 R26 W27L19-L23 HydrophobicContact CD2-CD1 4.39Å; L19-L23 HydrophobicContact CG-CD1 4.07Å; L19-L23 WeakPolarHBondContact O-CB 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.26Å; I20-L23 PolarHBondContact O-N 3.35Å; K21-L23 PolarHBondContact O-N 2.85Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.72Å; L23-R26 WeakPolarHBondContact O-CA 3.39Å; L23-R26 WeakPolarHBondContact O-CB 3.43Å; L23-R26 PolarHBondContact O-N 3.42Å; L23-W27 PolarHBondContact O-N 2.79Å
24Y53.6Low63.7Low167 Ų167109 Ų10966%0.65553%0.53SS*.Hα-helixtrans-49.8-48.1-178.5-176.1-100.7000112.3I20 K21 R26 W27 T28I20-Y24 VanDerWaalsContact O-CB 3.26Å; I20-Y24 WeakPolarHBondContact O-CB 3.33Å; I20-Y24 PolarHBondContact O-N 3.08Å; K21-Y24 PolarHBondContact O-N 2.96Å; Y24-R26 VanDerWaalsContact C-N 3.33Å; Y24-R26 PolarHBondContact O-N 3.33Å; Y24-W27 PolarHBondContact O-N 2.91Å; Y24-T28 PolarHBondContact O-N 2.95Å; Y24-T28 PolarHBondContact O-OG1 3.17Å
25I62.6Low65Low91 Ų91110.4 Ų110.447%0.46753%0.534SS..Hα-helixtrans-57.9-43.1176.3-67.5163.6000111.5K21 L23 T28 W29K21-I25 WeakPolarHBondContact O-CB 3.04Å; K21-I25 WeakPolarHBondContact O-CD1 3.14Å; K21-I25 WeakPolarHBondContact O-CG1 3.44Å; K21-I25 PolarHBondContact O-N 2.74Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.72Å; I25-T28 PolarHBondContact O-N 2.7Å; I25-W29 WeakPolarHBondContact O-CB 3.4Å; I25-W29 VanDerWaalsContact O-CD1 3.25Å; I25-W29 PolarHBondContact O-N 3.22Å
26R57.4Low66.3Low195 Ų195109.8 Ų109.874%0.73653%0.529SS*.Hα-helixtrans-67.1-40.6177.3-72.1-177.5108.5177.55112.8K22 L23 Y24 T28 W29 A30K22-R26 WeakPolarHBondContact O-CG 2.91Å; K22-R26 PolarHBondContact O-N 3.11Å; L23-R26 WeakPolarHBondContact O-CA 3.39Å; L23-R26 WeakPolarHBondContact O-CB 3.43Å; L23-R26 PolarHBondContact O-N 3.42Å; Y24-R26 VanDerWaalsContact C-N 3.33Å; Y24-R26 PolarHBondContact O-N 3.33Å; R26-T28 VanDerWaalsContact C-N 3.33Å; R26-W29 PolarHBondContact O-N 3.03Å; R26-A30 VanDerWaalsContact O-CB 3.29Å; R26-A30 WeakPolarHBondContact O-CB 3.41Å; R26-A30 PolarHBondContact O-N 3.38Å
27W51.5Low67.4Low192 Ų192109 Ų10973%0.72753%0.528SS*.Hα-helixtrans-63.7-40.8175.5-72.889.4000110.7L23 Y24 A31L23-W27 PolarHBondContact O-N 2.79Å; Y24-W27 PolarHBondContact O-N 2.91Å; W27-A31 WeakPolarHBondContact O-CB 3.48Å; W27-A31 PolarHBondContact O-N 2.84Å
28T74.7Confident68.6Low52 Ų52109.3 Ų109.332%0.31953%0.531SS..Hα-helixtrans-67.1-44.6176.2-48.70000111.9Y24 I25 R26 A31 I32Y24-T28 PolarHBondContact O-N 2.95Å; Y24-T28 PolarHBondContact O-OG1 3.17Å; I25-T28 PolarHBondContact O-N 2.7Å; R26-T28 VanDerWaalsContact C-N 3.33Å; T28-A31 PolarHBondContact O-N 3.47Å; T28-I32 HydrophobicContact CG2-CD1 3.92Å; T28-I32 HydrophobicContact CG2-CG1 4.48Å; T28-I32 VanDerWaalsContact O-CG1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.27Å; T28-I32 PolarHBondContact O-N 2.76Å
29W64.7Low69.7Low163 Ų163110.2 Ų110.262%0.61753%0.531SS*.Hα-helixtrans-63.3-45.9177.2-92.495.8000112.4I25 R26 A31 I32 L33I25-W29 WeakPolarHBondContact O-CB 3.4Å; I25-W29 VanDerWaalsContact O-CD1 3.25Å; I25-W29 PolarHBondContact O-N 3.22Å; R26-W29 PolarHBondContact O-N 3.03Å; W29-A31 VanDerWaalsContact C-N 3.31Å; W29-A31 PolarHBondContact O-N 3.37Å; W29-I32 PolarHBondContact O-N 2.93Å; W29-L33 WeakPolarHBondContact O-CG 3.49Å; W29-L33 PolarHBondContact O-N 3.27Å
30A72.5Confident70.8Confident61 Ų61110 Ų11050%0.50453%0.529SS..Hα-helixtrans-62.1-40.6176.500000111.5R26 L33 Q34R26-A30 VanDerWaalsContact O-CB 3.29Å; R26-A30 WeakPolarHBondContact O-CB 3.41Å; R26-A30 PolarHBondContact O-N 3.38Å; A30-L33 PolarHBondContact O-N 3.13Å; A30-Q34 WeakPolarHBondContact O-CB 3.5Å; A30-Q34 PolarHBondContact O-N 3.31Å
31A77.8Confident72Confident59 Ų59111.3 Ų111.349%0.48853%0.533SS..Hα-helixtrans-64.5-42.4176.100000112.6W27 T28 W29 Q34 Q35W27-A31 WeakPolarHBondContact O-CB 3.48Å; W27-A31 PolarHBondContact O-N 2.84Å; T28-A31 PolarHBondContact O-N 3.47Å; W29-A31 VanDerWaalsContact C-N 3.31Å; W29-A31 PolarHBondContact O-N 3.37Å; A31-Q34 PolarHBondContact O-N 3.43Å; A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 3.01Å
32I74.1Confident73.2Confident80 Ų80109.9 Ų109.941%0.4153%0.528SS..Hα-helixtrans-63.3-43.9176.4-69.3164.6000110.6T28 W29 Q35 T36T28-I32 HydrophobicContact CG2-CD1 3.92Å; T28-I32 HydrophobicContact CG2-CG1 4.48Å; T28-I32 VanDerWaalsContact O-CG1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.27Å; T28-I32 PolarHBondContact O-N 2.76Å; W29-I32 PolarHBondContact O-N 2.93Å; I32-Q35 PolarHBondContact O-N 2.9Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 2.82Å; I32-T36 PolarHBondContact O-OG1 3.23Å
33L81.2Confident74.3Confident108 Ų108105.3 Ų105.357%0.56551%0.511SS*.Hα-helixtrans-64.7-41.8178.3-71.1173.6000111.7W29 A30 T36 A37W29-L33 WeakPolarHBondContact O-CG 3.49Å; W29-L33 PolarHBondContact O-N 3.27Å; A30-L33 PolarHBondContact O-N 3.13Å; L33-T36 PolarHBondContact O-N 2.63Å; L33-A37 WeakPolarHBondContact O-CB 3.31Å; L33-A37 PolarHBondContact O-N 3.02Å
34Q82.4Confident75.7Confident112 Ų112106.3 Ų106.352%0.52352%0.516SS..Hα-helixtrans-63.9-46.3176-170.862.749.200111.4A30 A31 T36 A37 D38A30-Q34 WeakPolarHBondContact O-CB 3.5Å; A30-Q34 PolarHBondContact O-N 3.31Å; A31-Q34 PolarHBondContact O-N 3.43Å; Q34-T36 VanDerWaalsContact C-N 3.25Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-A37 PolarHBondContact O-N 3.12Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; Q34-D38 PolarHBondContact NE2-OD1 2.91Å; Q34-D38 PolarHBondContact O-N 3.39Å
35Q81.5Confident77.3Confident140 Ų140102.2 Ų102.265%0.65451%0.509SS*.Hα-helixtrans-60.1-37.9176.6-174.1-179.44.800111.9A31 I32 Y39A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 3.01Å; I32-Q35 PolarHBondContact O-N 2.9Å; Q35-Y39 WeakPolarHBondContact O-CB 3.22Å; Q35-Y39 PolarHBondContact O-N 3.29Å
36T79.1Confident78.5Confident67 Ų67103.5 Ų103.541%0.41151%0.508SS..Hα-helixtrans-68.2-41.7176.8-53.10000111I32 L33 Q34 Y39 L40I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 2.82Å; I32-T36 PolarHBondContact O-OG1 3.23Å; L33-T36 PolarHBondContact O-N 2.63Å; Q34-T36 VanDerWaalsContact C-N 3.25Å; Q34-T36 PolarHBondContact O-N 3.4Å; T36-Y39 PolarHBondContact O-N 3.45Å; T36-L40 HydrophobicContact CG2-CD1 4.33Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 2.95Å
37A81.2Confident79.8Confident48 Ų4898.1 Ų98.140%0.39749%0.494SS..Hα-helixtrans-62.9-45175.600000111.9L33 Q34 Y39 L40 Q41L33-A37 WeakPolarHBondContact O-CB 3.31Å; L33-A37 PolarHBondContact O-N 3.02Å; Q34-A37 PolarHBondContact O-N 3.12Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 3.19Å; A37-L40 PolarHBondContact O-N 3.22Å; A37-Q41 PolarHBondContact O-N 3.21Å
38D84.4Confident81.5Confident80 Ų8092.1 Ų92.143%0.42848%0.478SS..Hα-helixtrans-62.8-40.7177.6-61.4-16.7000111.2Q34 Q41 E42Q34-D38 PolarHBondContact NE2-OD1 2.91Å; Q34-D38 PolarHBondContact O-N 3.39Å; D38-Q41 PolarHBondContact O-N 3.1Å; D38-E42 PolarHBondContact O-N 3.48Å
39Y83.2Confident82.1Confident130 Ų13094 Ų9451%0.5149%0.486SS..Hα-helixtrans-65.2-42176.4-179-105.8000112.9Q35 T36 A37 Q41 E42 I43Q35-Y39 WeakPolarHBondContact O-CB 3.22Å; Q35-Y39 PolarHBondContact O-N 3.29Å; T36-Y39 PolarHBondContact O-N 3.45Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 3.19Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Y39-E42 PolarHBondContact O-N 2.74Å; Y39-I43 HydrophobicContact CD1-CD1 3.82Å; Y39-I43 HydrophobicContact CE1-CD1 3.25Å; Y39-I43 HydrophobicContact CE1-CG1 4.24Å; Y39-I43 HydrophobicContact CE2-CD1 4.38Å; Y39-I43 WeakPolarHBondContact O-CG1 3.27Å; Y39-I43 PolarHBondContact O-N 3.32Å
40L84.5Confident83.1Confident107 Ų10790.8 Ų90.856%0.5648%0.481SS*.Hα-helixtrans-63.8-40.3175.8-73.3171.9000111.4T36 A37 E42 I43 D44T36-L40 HydrophobicContact CG2-CD1 4.33Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 2.95Å; A37-L40 PolarHBondContact O-N 3.22Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-I43 PolarHBondContact O-N 3.32Å; L40-D44 PolarHBondContact O-N 3.4Å
41Q87.5Confident83.8Confident131 Ų13192.5 Ų92.561%0.61249%0.485SS*.Hα-helixtrans-64.1-39.2175-172176.93.600112A37 D38 Y39 D44 T45A37-Q41 PolarHBondContact O-N 3.21Å; D38-Q41 PolarHBondContact O-N 3.1Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Q41-D44 PolarHBondContact O-N 3.12Å; Q41-T45 WeakPolarHBondContact O-CG2 3.32Å; Q41-T45 PolarHBondContact O-N 2.86Å; Q41-T45 PolarHBondContact O-OG1 3.49Å
42E87.9Confident84.3Confident95 Ų9595.7 Ų95.744%0.44449%0.488SS..Hα-helixtrans-63.8-42175.1-158.8-162.5150.500112D38 Y39 L40 T45 R46D38-E42 PolarHBondContact O-N 3.48Å; Y39-E42 PolarHBondContact O-N 2.74Å; L40-E42 VanDerWaalsContact C-N 3.35Å; E42-T45 PolarHBondContact O-OG1 2.97Å; E42-R46 WeakPolarHBondContact O-CG 3.48Å; E42-R46 PolarHBondContact O-N 3.32Å; E42-R46 IonicContact OE1-CZ 3.95Å; E42-R46 VanDerWaalsContact OE1-CZ 3.32Å; E42-R46 IonicContact OE1-NE 3.32Å; E42-R46 PolarHBondContact OE1-NE 2.93Å; E42-R46 VanDerWaalsContact OE1-NE 3.13Å; E42-R46 IonicContact OE1-NH2 3.32Å; E42-R46 PolarHBondContact OE1-NH2 3.47Å; E42-R46 IonicContact OE2-NH2 3.15Å; E42-R46 PolarHBondContact OE2-NH2 3.17Å
43I85.6Confident85Confident50 Ų5097.1 Ų97.126%0.25649%0.493SS..Hα-helixtrans-61.5-45.7175.5-72.8175.2000111Y39 L40 T45 R46 N47Y39-I43 HydrophobicContact CD1-CD1 3.82Å; Y39-I43 HydrophobicContact CE1-CD1 3.25Å; Y39-I43 HydrophobicContact CE1-CG1 4.24Å; Y39-I43 HydrophobicContact CE2-CD1 4.38Å; Y39-I43 WeakPolarHBondContact O-CG1 3.27Å; Y39-I43 PolarHBondContact O-N 3.32Å; L40-I43 PolarHBondContact O-N 3.32Å; I43-T45 PolarHBondContact O-N 2.89Å; I43-R46 PolarHBondContact O-N 2.89Å; I43-N47 VanDerWaalsContact O-CG 3.3Å; I43-N47 PolarHBondContact O-N 3.22Å
44D82.7Confident85.2Confident104 Ų10497.4 Ų97.456%0.55649%0.494SS*.Hα-helixtrans-63.7-43.3-177.6-165.136.4000111.5L40 Q41 R46 N47 V48L40-D44 PolarHBondContact O-N 3.4Å; Q41-D44 PolarHBondContact O-N 3.12Å; D44-R46 PolarHBondContact O-N 3.08Å; D44-N47 PolarHBondContact O-N 3.37Å; D44-V48 WeakPolarHBondContact O-CG2 3.34Å; D44-V48 PolarHBondContact O-N 3.16Å
45T86.6Confident85.3Confident82 Ų8294.7 Ų94.750%0.50349%0.487SS..Hα-helixtrans-63.5-38.2174.757.30000113.1Q41 E42 I43 V48 N49Q41-T45 WeakPolarHBondContact O-CG2 3.32Å; Q41-T45 PolarHBondContact O-N 2.86Å; Q41-T45 PolarHBondContact O-OG1 3.49Å; E42-T45 PolarHBondContact O-OG1 2.97Å; I43-T45 PolarHBondContact O-N 2.89Å; T45-V48 PolarHBondContact O-N 2.99Å; T45-N49 PolarHBondContact O-N 3.29Å; T45-N49 VanDerWaalsContact O-N 3.13Å
46R87.8Confident85.6Confident118 Ų11895 Ų9545%0.44549%0.487SS..Hα-helixtrans-63.7-42.9173-75-167.6-122.7136.5-4.4111.7E42 I43 D44 N49 L50E42-R46 WeakPolarHBondContact O-CG 3.48Å; E42-R46 PolarHBondContact O-N 3.32Å; E42-R46 IonicContact OE1-CZ 3.95Å; E42-R46 VanDerWaalsContact OE1-CZ 3.32Å; E42-R46 IonicContact OE1-NE 3.32Å; E42-R46 PolarHBondContact OE1-NE 2.93Å; E42-R46 VanDerWaalsContact OE1-NE 3.13Å; E42-R46 IonicContact OE1-NH2 3.32Å; E42-R46 PolarHBondContact OE1-NH2 3.47Å; E42-R46 IonicContact OE2-NH2 3.15Å; E42-R46 PolarHBondContact OE2-NH2 3.17Å; I43-R46 PolarHBondContact O-N 2.89Å; D44-R46 PolarHBondContact O-N 3.08Å; R46-N49 PolarHBondContact O-N 3.35Å; R46-L50 PolarHBondContact O-N 3.44Å
47N83.8Confident85.6Confident81 Ų8197.2 Ų97.243%0.43350%0.495SS..Hα-helixtrans-62-44.4177.7-73.3-18.2000111.6I43 D44 N49 L50 V51I43-N47 VanDerWaalsContact O-CG 3.3Å; I43-N47 PolarHBondContact O-N 3.22Å; D44-N47 PolarHBondContact O-N 3.37Å; N47-N49 VanDerWaalsContact C-N 3.28Å; N47-N49 PolarHBondContact O-N 3.21Å; N47-L50 PolarHBondContact O-N 3.11Å; N47-V51 VanDerWaalsContact O-CG2 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.28Å; N47-V51 PolarHBondContact O-N 3.46Å
48V87.4Confident85.7Confident67 Ų67103.2 Ų103.241%0.40651%0.508SS..Hα-helixtrans-59.7-38.4175.1172.10000111.7D44 T45 K52D44-V48 WeakPolarHBondContact O-CG2 3.34Å; D44-V48 PolarHBondContact O-N 3.16Å; T45-V48 PolarHBondContact O-N 2.99Å; V48-K52 HydrophobicContact CG1-CD 4.42Å; V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.38Å
49N87.4Confident85.7Confident92 Ų92106.2 Ų106.249%0.49252%0.517SS..Hα-helixtrans-67.8-44.7176.5-165-15.7000111.9T45 R46 N47 V51 K52 Q53T45-N49 PolarHBondContact O-N 3.29Å; T45-N49 VanDerWaalsContact O-N 3.13Å; R46-N49 PolarHBondContact O-N 3.35Å; N47-N49 VanDerWaalsContact C-N 3.28Å; N47-N49 PolarHBondContact O-N 3.21Å; N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 PolarHBondContact O-N 2.94Å; N49-K52 CarbonylContact O-C 3.59Å; N49-K52 WeakPolarHBondContact O-CA 3.16Å; N49-K52 WeakPolarHBondContact O-CB 3.38Å; N49-K52 PolarHBondContact O-N 2.95Å; N49-K52 VanDerWaalsContact O-N 3.11Å; N49-Q53 PolarHBondContact O-N 2.97Å
50L86.8Confident85.4Confident95 Ų95105.3 Ų105.350%0.49752%0.52SS..Hα-helixtrans-59.6-44175.3-73.1172.4000111.8R46 N47 K52 Q53 L54R46-L50 PolarHBondContact O-N 3.44Å; N47-L50 PolarHBondContact O-N 3.11Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.1Å; L50-Q53 PolarHBondContact O-N 3.13Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 2.8Å
51V87.1Confident84.9Confident97 Ų97106.5 Ų106.559%0.58853%0.526SS*.Hα-helixtrans-60.4-41.7174.5172.40000110.9N47 N49 L54 S55N47-V51 VanDerWaalsContact O-CG2 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.28Å; N47-V51 PolarHBondContact O-N 3.46Å; N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 PolarHBondContact O-N 2.94Å; V51-L54 PolarHBondContact O-N 3.13Å; V51-S55 WeakPolarHBondContact O-CB 3.45Å; V51-S55 PolarHBondContact O-N 2.93Å
52K88.8Confident84.3Confident126 Ų126106.3 Ų106.355%0.54853%0.526SS..Hα-helixtrans-62.1-44174.2-77.5175.2-178176.10111.8V48 N49 L50 S55 K56V48-K52 HydrophobicContact CG1-CD 4.42Å; V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.38Å; N49-K52 CarbonylContact O-C 3.59Å; N49-K52 WeakPolarHBondContact O-CA 3.16Å; N49-K52 WeakPolarHBondContact O-CB 3.38Å; N49-K52 PolarHBondContact O-N 2.95Å; N49-K52 VanDerWaalsContact O-N 3.11Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.1Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-S55 PolarHBondContact O-OG 3.35Å; K52-K56 PolarHBondContact O-N 3.48Å
53Q88.9Confident83.4Confident110 Ų110107.9 Ų107.951%0.51454%0.542SS..Hα-helixtrans-64.9-43.5177.2-71.2-164.7-21.300112.4N49 L50 S55 K56 L57N49-Q53 PolarHBondContact O-N 2.97Å; L50-Q53 PolarHBondContact O-N 3.13Å; Q53-S55 VanDerWaalsContact C-N 3.29Å; Q53-S55 PolarHBondContact O-N 3.02Å; Q53-K56 WeakPolarHBondContact O-CB 3.2Å; Q53-K56 PolarHBondContact O-N 3.18Å; Q53-K56 VanDerWaalsContact O-N 3.14Å; Q53-L57 PolarHBondContact O-N 3.44Å
54L85.4Confident81.7Confident114 Ų114113.7 Ų113.760%0.59757%0.565SS**Hα-helixtrans-60.4-39.7173.9-72.7173.6000111.6L50 V51 K56 L57 R58L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 2.8Å; V51-L54 PolarHBondContact O-N 3.13Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 3.35Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 2.99Å
55S84.3Confident79.7Confident55 Ų55111 Ų11139%0.38556%0.562SS.*Hα-helixtrans-66.2-35.5175.476.90000112.9V51 K52 Q53 K59V51-S55 WeakPolarHBondContact O-CB 3.45Å; V51-S55 PolarHBondContact O-N 2.93Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-S55 PolarHBondContact O-OG 3.35Å; Q53-S55 VanDerWaalsContact C-N 3.29Å; Q53-S55 PolarHBondContact O-N 3.02Å; S55-K59 WeakPolarHBondContact O-CG 3.26Å; S55-K59 PolarHBondContact O-N 3.48Å
56K87.3Confident77.8Confident146 Ų146112.8 Ų112.864%0.63558%0.575SS**Hα-helixtrans-67.5-44.8173.5-74.5178.7179.6-178.70111.7K52 Q53 L54 R58 K59 L60K52-K56 PolarHBondContact O-N 3.48Å; Q53-K56 WeakPolarHBondContact O-CB 3.2Å; Q53-K56 PolarHBondContact O-N 3.18Å; Q53-K56 VanDerWaalsContact O-N 3.14Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.89Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-K59 PolarHBondContact O-N 3.23Å; K56-L60 PolarHBondContact O-N 3.35Å
57L78.8Confident75.3Confident114 Ų114116.9 Ų116.960%0.59760%0.596SS**Hα-helixtrans-62.2-42.4176.2-77.7167.7000111.4Q53 L54 K59 L60 L61Q53-L57 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 3.35Å; L57-K59 PolarHBondContact O-N 3.33Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 2.93Å
58R84Confident73Confident173 Ų173120.6 Ų120.665%0.65361%0.611SS**Hα-helixtrans-59.4-46174.3-175.7177.9178.1164.76.9111.8L54 K56 L60 L61 E62L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 2.99Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 2.67Å; R58-L61 PolarHBondContact O-N 3.39Å; R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 2.92Å; R58-E62 VanDerWaalsContact NE-OE1 3.15Å; R58-E62 WeakPolarHBondContact O-CG 3.45Å; R58-E62 PolarHBondContact O-N 3.15Å
59K83.1Confident70.3Confident143 Ų143125.6 Ų125.662%0.62263%0.63SS**Hα-helixtrans-62.2-39.7174.9-74.7-178.5179.2-173.10112.6S55 K56 L57 L61 E62 V63S55-K59 WeakPolarHBondContact O-CG 3.26Å; S55-K59 PolarHBondContact O-N 3.48Å; K56-K59 PolarHBondContact O-N 3.23Å; L57-K59 PolarHBondContact O-N 3.33Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-E62 PolarHBondContact O-N 2.88Å; K59-V63 VanDerWaalsContact O-CG2 3.27Å; K59-V63 WeakPolarHBondContact O-CG2 3.21Å; K59-V63 PolarHBondContact O-N 3.31Å
60L77.7Confident67.5Low111 Ų111128.9 Ų128.958%0.58164%0.641SS**Hα-helixtrans-63.4-39.7175.3-86.9157.4000112.1K56 L57 R58 V63 K64K56-L60 PolarHBondContact O-N 3.35Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.43Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 2.67Å; L60-V63 PolarHBondContact O-N 3.43Å; L60-K64 PolarHBondContact O-N 2.89Å
61L73.3Confident65Low132 Ų132130.2 Ų130.269%0.69165%0.654SS**Hα-helixtrans-69.2-38.6176.7-161.680.7000111.9L57 R58 K59 V63 K64 G65L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 2.93Å; R58-L61 PolarHBondContact O-N 3.39Å; K59-L61 VanDerWaalsContact C-N 3.33Å; L61-V63 VanDerWaalsContact C-N 3.34Å; L61-K64 CarbonylContact O-C 3.16Å; L61-K64 PolarHBondContact O-N 3.34Å; L61-K64 VanDerWaalsContact O-O 3.12Å; L61-G65 PolarHBondContact O-N 2.81Å
62E75Confident62.2Low127 Ų127132.9 Ų132.959%0.59367%0.665SS**Hα-helixtrans-67-33.3175.5-74.4174.3-170.100112.1R58 K59R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 2.92Å; R58-E62 VanDerWaalsContact NE-OE1 3.15Å; R58-E62 WeakPolarHBondContact O-CG 3.45Å; R58-E62 PolarHBondContact O-N 3.15Å; K59-E62 PolarHBondContact O-N 2.88Å
63V69.4Low59.7Low129 Ų129131.4 Ų131.478%0.78268%0.676SS**Hα-helixtrans-80.4-32.4177.2177.20000112.4K59 L60 L61K59-V63 VanDerWaalsContact O-CG2 3.27Å; K59-V63 WeakPolarHBondContact O-CG2 3.21Å; K59-V63 PolarHBondContact O-N 3.31Å; L60-V63 PolarHBondContact O-N 3.43Å; L61-V63 VanDerWaalsContact C-N 3.34Å
64K50.6Low57.4Low172 Ų172131.3 Ų131.375%0.74869%0.685SS**SBendtrans-102.567.4169.6-79.7-174.2173.2-1780109.8L60 L61L60-K64 PolarHBondContact O-N 2.89Å; L61-K64 CarbonylContact O-C 3.16Å; L61-K64 PolarHBondContact O-N 3.34Å; L61-K64 VanDerWaalsContact O-O 3.12Å
65G39.3Very low54.6Low48 Ų48134.1 Ų134.150%0.49570%0.695SS.*  trans-50.8139.1164.800000110.4L61 K67L61-G65 PolarHBondContact O-N 2.81Å; G65-K67 PolarHBondContact O-N 2.86Å; G65-K67 VanDerWaalsContact O-N 3.17Å
66P47.5Very low52.3Low118 Ų118138 Ų13877%0.76672%0.716SS**  trans-62.6119.2-174.424.2-31.8000109.7E68P66-E68 VanDerWaalsContact C-N 3.31Å; P66-E68 PolarHBondContact O-N 2.97Å
67K35.7Very low49.7Very low204 Ų204136.9 Ų136.989%0.88772%0.717SS**  trans-64.9101.2158.1-82.1-172.8173.6-176.80106.4G65 Q69G65-K67 PolarHBondContact O-N 2.86Å; G65-K67 VanDerWaalsContact O-N 3.17Å; K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-Q69 PolarHBondContact O-N 3.27Å
68E35.7Very low47.3Very low160 Ų160140 Ų14075%0.74873%0.728SS**  trans-54.395.4164.8-71.2175.5162.500108.6P66P66-E68 VanDerWaalsContact C-N 3.31Å; P66-E68 PolarHBondContact O-N 2.97Å
69Q31.2Very low44.9Very low172 Ų172139.8 Ų139.880%0.80474%0.738SS**  trans-101.480.8164.1-152.6168.730.200106K67 T71K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-Q69 PolarHBondContact O-N 3.27Å; Q69-T71 PolarHBondContact O-N 3.34Å
70H28.7Very low42.4Very low160 Ų160136 Ų13674%0.74174%0.74SS**  trans-58.6103170.2-78.6-81.1000108.5
71T32.8Very low40.1Very low123 Ų123137.4 Ų137.476%0.75575%0.753SS**  trans-110.8119165-320000106.2Q69Q69-T71 PolarHBondContact O-N 3.34Å
72D27.9Very low37.8Very low154 Ų154139.6 Ų139.682%0.82476%0.759SS**  trans-58.8148.5-177.9-66.1-58.5000113.5
73A36.7Very low35.6Very low94 Ų94139.6 Ų139.678%0.77777%0.768SS**  trans93.6148.7156.800000119.6
74P40.1Very low33.8Very low109 Ų109140.8 Ų140.871%0.70877%0.765SS**  -128147.6-50.134.9-21000112.9V76P74-V76 PolarHBondContact O-N 2.8Å; P74-V76 VanDerWaalsContact O-N 3.12Å
75E26.5Very low32.7Very low172 Ų172140.1 Ų140.180%0.80477%0.769SS**  trans0.488.7148-151.9171.3-148.200117N77E75-N77 PolarHBondContact O-N 3.47Å
76V37.4Very low32.5Very low138 Ų138144.9 Ų144.984%0.83678%0.782SS**  trans-92.695.2162.1-172.20000107.7P74P74-V76 PolarHBondContact O-N 2.8Å; P74-V76 VanDerWaalsContact O-N 3.12Å
77N32Very low31.6Very low121 Ų121146 Ų14665%0.64778%0.781SS**  trans-51.8141.3169.3-86.3-54.1000111.9E75 I79E75-N77 PolarHBondContact O-N 3.47Å; N77-I79 PolarHBondContact O-N 3.16Å
78H29Very low31.2Very low181 Ų181144 Ų14484%0.83878%0.779SS**  trans-54.9121.4173.8-63.54.6000111.9
79I34.1Very low31.4Very low168 Ų168141 Ų14186%0.86277%0.773SS**  trans-151.9124.7143-79.4116.7000107.4N77N77-I79 PolarHBondContact O-N 3.16Å
80G28.8Very low31.4Very low64 Ų64139.7 Ų139.766%0.6677%0.772SS**  trans60103.7144.600000117.7Q82G80-Q82 VanDerWaalsContact C-N 3.26Å; G80-Q82 PolarHBondContact O-N 2.92Å
81V29.4Very low31.5Very low139 Ų139139.4 Ų139.484%0.84278%0.776SS**  trans-58.689.9158.8-177.80000108.4V83V81-V83 HydrophobicContact CG1-CG2 3.73Å; V81-V83 PolarHBondContact O-N 3.24Å
82Q26Very low31.7Very low178 Ų178138.6 Ų138.683%0.83277%0.773SS**  trans-87.898.2165.7-144170.346.300106.7G80 E84G80-Q82 VanDerWaalsContact C-N 3.26Å; G80-Q82 PolarHBondContact O-N 2.92Å; Q82-E84 VanDerWaalsContact C-N 3.27Å; Q82-E84 PolarHBondContact O-N 3.32Å
83V29.2Very low32Very low128 Ų128138.3 Ų138.378%0.77678%0.776SS**  trans-71.387.5170.2-174.90000106.9V81V81-V83 HydrophobicContact CG1-CG2 3.73Å; V81-V83 PolarHBondContact O-N 3.24Å
84E30.5Very low31.7Very low154 Ų154138.6 Ų138.672%0.7277%0.772SS**  trans-11598.3161.6-154.6170.4-165.200109Q82 L86Q82-E84 VanDerWaalsContact C-N 3.27Å; Q82-E84 PolarHBondContact O-N 3.32Å; E84-L86 PolarHBondContact O-N 3.08Å
85L28.5Very low31.2Very low158 Ų158143.1 Ų143.183%0.82778%0.781SS**  trans-60.4100.9167.4179.480.3000108.9
86L34.9Very low31.2Very low148 Ų148139.1 Ų139.178%0.77579%0.786SS**  trans-146133.7158.9-100.4163.1000111.1E84E84-L86 PolarHBondContact O-N 3.08Å
87L29.6Very low30.6Very low142 Ų142136 Ų13674%0.74378%0.782SS**  trans-61.7152.3-166-72.966.2000115.2
88L26.9Very low30.7Very low161 Ų161136.6 Ų136.684%0.84379%0.792SS**  trans18.2159.3141.2-87.671000120.4
89P40.2Very low31Very low97 Ų97133.2 Ų133.263%0.6379%0.787SS**  cis-140.5174-26.640-21.5000114.9
90N29.3Very low31Very low144 Ų144134.8 Ų134.877%0.7779%0.787SS**  trans50.8103.8145-62.6-29.4000122.2
91N30.8Very low31.2Very low154 Ų154140.9 Ų140.982%0.82480%0.795SS**  160151.3111.5-105.5-61.3000113.2
92P37.2Very low31.1Very low106 Ų106145.8 Ų145.869%0.68880%0.799SS**  trans-93.6122.1-164.935.6-29.9000112.6S94P92-S94 PolarHBondContact O-N 2.84Å
93V34.6Very low31.3Very low148 Ų148145.5 Ų145.590%0.89780%0.797SS**  trans-97.287.1161.8-178.20000108.2
94S30.4Very low31.4Very low100 Ų100148.3 Ų148.370%0.69980%0.799SS**  trans-70.5123.7158.9-172.90000108.5P92P92-S94 PolarHBondContact O-N 2.84Å
95K30.7Very low31.3Very low204 Ų204146.3 Ų146.389%0.88780%0.797SS**  trans156.2121.7143.5-86.2162.5-174.6-1780112.2
96G25Very low31.7Very low88 Ų88147 Ų14791%0.90780%0.802SS**  trans178.979.2163.800000114.2
97G24.8Very low31.6Very low73 Ų73148.9 Ų148.975%0.75380%0.804SS**  trans-175.6146.116600000113.9
98P35.4Very low31.8Very low134 Ų134147.2 Ų147.287%0.8780%0.804SS**  trans-105.7178.1-132.940.4-34.5000116.5
99P34.9Very low32.2Very low110 Ų110144.3 Ų144.371%0.71480%0.797SS**  trans-107.9162.1-154.140-32000114.5
100K33.8Very low32Very low200 Ų200144.4 Ų144.487%0.8780%0.8SS**  trans-179.1141137.2-102.7155.5-175.9174.80115.5
101K33.1Very low32Very low192 Ų192144.5 Ų144.584%0.83580%0.8SS**  trans84.690.8154.7-74.9-178.5173.9179.20119.9
102R27.2Very low32.1Very low242 Ų242143 Ų14391%0.91379%0.792SS**  30.2126.1125.3-61.5170.780.3176.84.1117
103Q30Very low31.7Very low172 Ų172143.4 Ų143.480%0.80479%0.788SS**  -171.1132109.1-164.8152-32.100114.1
104K32.6Very low31.5Very low187 Ų187146.5 Ų146.581%0.81378%0.784SS**  trans50.498.5157.8-78.7-180172.4-178.50121.3
105V27.7Very low31.3Very low112 Ų112147.4 Ų147.468%0.67979%0.789SS**  trans-26.4128.2132.7179.20000113.9K107V105-K107 HydrophobicContact CG1-CG 3.84Å
106N37.5Very low31.3Very low172 Ų172144.2 Ų144.292%0.9279%0.791SS**  trans-123129.1137.1-91.7-20.3000108.3
107K30.9Very low31.7Very low188 Ų188145 Ų14582%0.81778%0.782SS**  trans-87.8139.8179.1-73.8168.7168.7178.60109.8V105V105-K107 HydrophobicContact CG1-CG 3.84Å
108S35.8Very low31.9Very low107 Ų107146.7 Ų146.775%0.74878%0.783SS**  trans176.5100.3135460000107
109S34.5Very low31.7Very low101 Ų101149.7 Ų149.771%0.70679%0.785SS**  63.299.310163.90000112
110S35.6Very low31.4Very low99 Ų99150.2 Ų150.269%0.69279%0.791SS**  76.2115.6102.284.50000111.2
111L30.2Very low31.4Very low145 Ų145146.1 Ų146.176%0.75979%0.788SS**  53.2110.8107.5-84.6157.6000109.8
112D31.5Very low31.3Very low123 Ų123144.9 Ų144.966%0.65879%0.789SS**  -176.7164.656.2-106.3-47.8000111.5
113D29.7Very low31.4Very low114 Ų114140.7 Ų140.761%0.6178%0.781SS**  trans78.7103.5142.4-79-35.2000121.7
114R29.2Very low31.3Very low214 Ų214141 Ų14181%0.80878%0.783SS**  67.5119.1113.2-73.9177.6-169.7-150.4-5119.4
115C26.9Very low31.3Very low119 Ų119138.5 Ų138.580%0.80478%0.782SS**  trans57.282130-62.40000117
116C32Very low31.3Very low137 Ų137141.1 Ų141.193%0.92679%0.787SS**  trans-114.5108.9142.3-78.70000108.9
117S31.4Very low31Very low103 Ų103137.4 Ų137.472%0.7278%0.775SS**  trans-61.6147.7162.6-60.80000110.6
118S30.5Very low31Very low110 Ų110133.3 Ų133.377%0.76978%0.776SS**  trans57.196.3141.852.20000117.8
119E30.6Very low31Very low197 Ų197137.3 Ų137.392%0.92178%0.78SS**  trans-140127.9133.4-118.3176.6148.400110.5S121E119-S121 PolarHBondContact O-N 3.06Å
120S29.4Very low31Very low120 Ų120138 Ų13884%0.83979%0.785SS**  trans-68.3118.7177.749.10000110.7
121S32.5Very low30.9Very low114 Ų114142 Ų14280%0.79779%0.793SS**  trans-141.6101.9157.3-174.50000108.6E119 M123E119-S121 PolarHBondContact O-N 3.06Å; S121-M123 PolarHBondContact O-N 3.3Å
122I30.9Very low31.2Very low167 Ų167139.1 Ų139.186%0.85679%0.79SS**  trans-65.5110.1162.4-78166.1000106.1
123M29.9Very low31.6Very low154 Ų154137.5 Ų137.576%0.75979%0.794SS**  trans-171.6103.3142-103.2178.568.500110.3S121S121-M123 PolarHBondContact O-N 3.3Å
124E28.8Very low32Very low179 Ų179137.7 Ų137.784%0.83680%0.798SS**  trans47.388.9144-64.5-175.6144.500119.3
125V31.8Very low32.3Very low133 Ų133135.8 Ų135.881%0.80680%0.799SS**  trans-137.6116.6146.4175.70000110.1
126E28.4Very low33Very low168 Ų168135.6 Ų135.679%0.78579%0.794SS**  trans32.8116.5147.5-79.3-178.6133.500121.9
127S29.9Very low33.6Very low94 Ų94135.2 Ų135.266%0.65778%0.783SS**  trans38.483.7132.755.60000118.6K129S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 PolarHBondContact O-N 2.8Å; S127-K129 VanDerWaalsContact O-N 3.08Å
128A31.1Very low34.3Very low102 Ų102138 Ų13884%0.84379%0.789SS**  trans-71.891.3147.100000108.4S130A128-S130 PolarHBondContact O-N 3.43Å
129K36.5Very low35Very low190 Ų190140.2 Ų140.283%0.82679%0.785SS**  trans-61106.6159.5-77.3172179.7169.80106.2S127 E131S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 PolarHBondContact O-N 2.8Å; S127-K129 VanDerWaalsContact O-N 3.08Å; K129-E131 PolarHBondContact O-N 3.16Å
130S34Very low36.1Very low116 Ų116135.5 Ų135.581%0.81177%0.766SS**  trans-60.290163.134.10000107.8A128 A132A128-S130 PolarHBondContact O-N 3.43Å; S130-A132 PolarHBondContact O-N 3.45Å
131E34.8Very low37.3Very low183 Ų183131 Ų13186%0.85574%0.739SS**  trans-67.687.5166.2-164.8168.8-160.300106K129 A133K129-E131 PolarHBondContact O-N 3.16Å; E131-A133 PolarHBondContact O-N 2.92Å
132A35.9Very low39.3Very low85 Ų85129.5 Ų129.570%0.70273%0.725SS**  trans-60.194.7163.400000105.5S130 V134S130-A132 PolarHBondContact O-N 3.45Å; A132-V134 PolarHBondContact O-N 2.92Å
133A38.7Very low41.5Very low89 Ų89125.5 Ų125.574%0.73671%0.708SS**  trans-55.992.6166.300000106.1E131 Q135E131-A133 PolarHBondContact O-N 2.92Å; A133-Q135 PolarHBondContact O-N 3.19Å
134V39.7Very low43.8Very low117 Ų117123 Ų12371%0.70969%0.694SS**  trans-61.2100.7163.4175.80000103A132 T136A132-V134 PolarHBondContact O-N 2.92Å; V134-T136 HydrophobicContact CG1-CG2 4.35Å; V134-T136 PolarHBondContact O-N 3.23Å
135Q34.1Very low46.1Very low175 Ų175117.8 Ų117.882%0.81868%0.675SS**  trans-58.288.2167.4-145.9165.3-5.900104.5A133 D137A133-Q135 PolarHBondContact O-N 3.19Å; Q135-D137 PolarHBondContact O-N 2.86Å
136T42.7Very low48.6Very low114 Ų114115.3 Ų115.370%0.69966%0.657SS**  trans-66.690162.748.80000102.9V134 L138V134-T136 HydrophobicContact CG1-CG2 4.35Å; V134-T136 PolarHBondContact O-N 3.23Å; T136-L138 PolarHBondContact O-N 3.34Å
137D44.9Very low51.2Low130 Ų130113.8 Ų113.870%0.69565%0.652SS**  trans-42.6116.3157.6-99.4-23.1000104.6Q135 F139Q135-D137 PolarHBondContact O-N 2.86Å; D137-F139 PolarHBondContact O-N 3.41Å
138L45Very low53.9Low161 Ų161115.1 Ų115.184%0.84365%0.651SS**  trans-60.687.3178.1-16782.4000104.6T136 D140T136-L138 PolarHBondContact O-N 3.34Å; L138-D140 PolarHBondContact O-N 3.19Å
139F46.2Very low56.6Low157 Ų157115.5 Ų115.569%0.68963%0.634SS**  trans-6298.9173.5-112-88000103.9D137 G141D137-F139 PolarHBondContact O-N 3.41Å; F139-G141 PolarHBondContact O-N 2.87Å
140D52.9Low59.1Low98 Ų98115.3 Ų115.352%0.52463%0.628SS.*  trans-73.766.5171.7-159.50.3000107L138 T142 T143L138-D140 PolarHBondContact O-N 3.19Å; D140-T142 PolarHBondContact O-N 3.49Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.11Å; D140-T142 PolarHBondContact OD1-OG1 3.41Å; D140-T143 PolarHBondContact O-N 3.42Å; D140-T143 PolarHBondContact O-OG1 2.97Å; D140-T143 VanDerWaalsContact O-OG1 3.1Å
141G55.5Low61.8Low26 Ų26116.8 Ų116.827%0.26862%0.615SS.*Hα-helixtrans-64.3-2.3-176.200000112.6F139 T143 V145F139-G141 PolarHBondContact O-N 2.87Å; G141-T143 VanDerWaalsContact C-N 3.33Å; G141-V145 VanDerWaalsContact O-CB 3.25Å; G141-V145 WeakPolarHBondContact O-CB 3.42Å; G141-V145 WeakPolarHBondContact O-CG2 3.49Å; G141-V145 PolarHBondContact O-N 2.89Å
142T73.1Confident64.5Low81 Ų81113.6 Ų113.650%0.49760%0.603SS.*Hα-helixtrans-58.2-45.4170.161.20000110.8D140 V145 D146D140-T142 PolarHBondContact O-N 3.49Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.11Å; D140-T142 PolarHBondContact OD1-OG1 3.41Å; T142-V145 PolarHBondContact O-N 2.99Å; T142-D146 WeakPolarHBondContact O-CB 3.4Å; T142-D146 PolarHBondContact O-N 2.8Å
143T77.6Confident67Low84 Ų84116.8 Ų116.852%0.51560%0.602SS.*Hα-helixtrans-69.4-42.9-177.959.80000112.8D140 G141 D146 M147D140-T143 PolarHBondContact O-N 3.42Å; D140-T143 PolarHBondContact O-OG1 2.97Å; D140-T143 VanDerWaalsContact O-OG1 3.1Å; G141-T143 VanDerWaalsContact C-N 3.33Å; T143-D146 PolarHBondContact O-N 2.94Å; T143-M147 WeakPolarHBondContact O-CG 3.34Å; T143-M147 PolarHBondContact O-N 3.3Å
144E77.2Confident69.3Low100 Ų100117.6 Ų117.647%0.46759%0.59SS.*Hα-helixtrans-65.2-42.9176.5-67.8-173170.500111.5D146 M147 L148E144-D146 VanDerWaalsContact C-N 3.33Å; E144-D146 PolarHBondContact O-N 2.91Å; E144-M147 PolarHBondContact O-N 3.4Å; E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 VanDerWaalsContact O-CG 3.28Å; E144-L148 WeakPolarHBondContact O-CG 3.43Å; E144-L148 PolarHBondContact O-N 2.81Å
145V79Confident71.7Confident70 Ų70116.9 Ų116.942%0.42458%0.582SS.*Hα-helixtrans-62.7-41.2176.2168.60000111G141 T142 L148 K149G141-V145 VanDerWaalsContact O-CB 3.25Å; G141-V145 WeakPolarHBondContact O-CB 3.42Å; G141-V145 WeakPolarHBondContact O-CG2 3.49Å; G141-V145 PolarHBondContact O-N 2.89Å; T142-V145 PolarHBondContact O-N 2.99Å; V145-L148 PolarHBondContact O-N 3.24Å; V145-K149 HydrophobicContact CG1-CD 4.27Å; V145-K149 WeakPolarHBondContact O-CB 3.23Å; V145-K149 VanDerWaalsContact O-CG 3.32Å; V145-K149 WeakPolarHBondContact O-CG 3.2Å; V145-K149 PolarHBondContact O-N 3.29Å
146D82.4Confident74.5Confident82 Ų82114.4 Ų114.444%0.43957%0.571SS.*Hα-helixtrans-69.6-36.3178.2-75.4-15.1000112.6T142 T143 E144 K149 R150T142-D146 WeakPolarHBondContact O-CB 3.4Å; T142-D146 PolarHBondContact O-N 2.8Å; T143-D146 PolarHBondContact O-N 2.94Å; E144-D146 VanDerWaalsContact C-N 3.33Å; E144-D146 PolarHBondContact O-N 2.91Å; D146-K149 PolarHBondContact O-N 2.87Å; D146-K149 IonicContact OD1-NZ 2.73Å; D146-R150 WeakPolarHBondContact O-CG 3.34Å; D146-R150 PolarHBondContact O-N 3.38Å
147M84.3Confident76.8Confident135 Ų135113.7 Ų113.767%0.66556%0.562SS**Hα-helixtrans-63.2-44.6170.3-75-148.6-60.600111.8T143 E144 K149 R150 R151T143-M147 WeakPolarHBondContact O-CG 3.34Å; T143-M147 PolarHBondContact O-N 3.3Å; E144-M147 PolarHBondContact O-N 3.4Å; M147-K149 PolarHBondContact O-N 3.11Å; M147-R150 PolarHBondContact O-N 2.9Å; M147-R151 WeakPolarHBondContact O-CB 3.48Å; M147-R151 PolarHBondContact O-N 3.47Å
148L86.8Confident78.9Confident123 Ų123110.1 Ų110.164%0.64455%0.55SS**Hα-helixtrans-63.7-40.1177.7-73.8170.8000111.8E144 V145 R151 L152E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 VanDerWaalsContact O-CG 3.28Å; E144-L148 WeakPolarHBondContact O-CG 3.43Å; E144-L148 PolarHBondContact O-N 2.81Å; V145-L148 PolarHBondContact O-N 3.24Å; L148-R151 PolarHBondContact O-N 2.84Å; L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 PolarHBondContact O-N 3.38Å
149K88Confident81.1Confident110 Ų110107.3 Ų107.348%0.47854%0.536SS..Hα-helixtrans-60.6-48.4173.3-76.6173.1-174.1164.40111.6V145 D146 M147 R151 L152 F153V145-K149 HydrophobicContact CG1-CD 4.27Å; V145-K149 WeakPolarHBondContact O-CB 3.23Å; V145-K149 VanDerWaalsContact O-CG 3.32Å; V145-K149 WeakPolarHBondContact O-CG 3.2Å; V145-K149 PolarHBondContact O-N 3.29Å; D146-K149 PolarHBondContact O-N 2.87Å; D146-K149 IonicContact OD1-NZ 2.73Å; M147-K149 PolarHBondContact O-N 3.11Å; K149-R151 VanDerWaalsContact C-N 3.28Å; K149-R151 PolarHBondContact O-N 2.93Å; K149-L152 WeakPolarHBondContact O-CB 3.36Å; K149-L152 PolarHBondContact O-N 2.88Å; K149-F153 WeakPolarHBondContact O-CD2 3.33Å; K149-F153 PolarHBondContact O-N 2.92Å
150R88.3Confident83.2Confident186 Ų186104.4 Ų104.470%0.70253%0.527SS*.Hα-helixtrans-57.5-44.1175.6-76.2-177.3-172.4179.24.3111.3D146 M147 L152 F153 E154D146-R150 WeakPolarHBondContact O-CG 3.34Å; D146-R150 PolarHBondContact O-N 3.38Å; M147-R150 PolarHBondContact O-N 2.9Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.15Å; R150-F153 PolarHBondContact O-N 3.32Å; R150-E154 PolarHBondContact O-N 3.4Å
151R90.2Very high85Confident147 Ų147104.3 Ų104.356%0.55552%0.523SS*.Hα-helixtrans-66.2-36.2179.7-166.258.2173.2-176.40.1112.8M147 L148 K149 E154 L155M147-R151 WeakPolarHBondContact O-CB 3.48Å; M147-R151 PolarHBondContact O-N 3.47Å; L148-R151 PolarHBondContact O-N 2.84Å; K149-R151 VanDerWaalsContact C-N 3.28Å; K149-R151 PolarHBondContact O-N 2.93Å; R151-E154 WeakPolarHBondContact CD-OE2 3.32Å; R151-E154 IonicContact CZ-OE2 2.69Å; R151-E154 IonicContact NE-OE2 3.68Å; R151-E154 IonicContact NH1-OE2 3.13Å; R151-E154 PolarHBondContact NH1-OE2 2.95Å; R151-E154 PolarHBondContact O-N 3.47Å; R151-L155 HydrophobicContact CG-CD1 4.47Å; R151-L155 WeakPolarHBondContact O-CB 3.41Å; R151-L155 WeakPolarHBondContact O-CG 3.38Å; R151-L155 PolarHBondContact O-N 2.88Å
152L91.1Very high86.7Confident115 Ų115109.1 Ų109.160%0.60254%0.539SS*.Hα-helixtrans-62.8-43173.6-172.571.1000111.2L148 K149 R150 L155 Q156L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 PolarHBondContact O-N 3.38Å; K149-L152 WeakPolarHBondContact O-CB 3.36Å; K149-L152 PolarHBondContact O-N 2.88Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 3.31Å; L152-Q156 WeakPolarHBondContact O-CB 3.38Å; L152-Q156 PolarHBondContact O-N 2.92Å
153F88.6Confident87.4Confident153 Ų153114.3 Ų114.367%0.67155%0.549SS*.Hα-helixtrans-63-42.7175.1-78.6-66000112.7K149 R150 Q156 L157K149-F153 WeakPolarHBondContact O-CD2 3.33Å; K149-F153 PolarHBondContact O-N 2.92Å; R150-F153 PolarHBondContact O-N 3.32Å; F153-Q156 PolarHBondContact O-N 3.41Å; F153-L157 PolarHBondContact O-N 2.97Å
154E88.7Confident87.9Confident105 Ų105116 Ų11649%0.49155%0.552SS.*Hα-helixtrans-61.3-43.4175.5-72.9175.2-178.800112.2R150 R151 L157 A158R150-E154 PolarHBondContact O-N 3.4Å; R151-E154 WeakPolarHBondContact CD-OE2 3.32Å; R151-E154 IonicContact CZ-OE2 2.69Å; R151-E154 IonicContact NE-OE2 3.68Å; R151-E154 IonicContact NH1-OE2 3.13Å; R151-E154 PolarHBondContact NH1-OE2 2.95Å; R151-E154 PolarHBondContact O-N 3.47Å; E154-L157 PolarHBondContact O-N 3.33Å; E154-A158 PolarHBondContact O-N 2.9Å
155L89.8Confident88.1Confident102 Ų102116 Ų11653%0.53455%0.554SS.*Hα-helixtrans-64.7-42177.1-77.4169.3000111.8R151 L152 L157 A158 L159R151-L155 HydrophobicContact CG-CD1 4.47Å; R151-L155 WeakPolarHBondContact O-CB 3.41Å; R151-L155 WeakPolarHBondContact O-CG 3.38Å; R151-L155 PolarHBondContact O-N 2.88Å; L152-L155 PolarHBondContact O-N 3.31Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 2.9Å; L155-A158 PolarHBondContact O-N 3.46Å; L155-L159 WeakPolarHBondContact O-CB 3.34Å; L155-L159 PolarHBondContact O-N 2.95Å
156Q91.5Very high88.3Confident124 Ų124115.4 Ų115.458%0.57955%0.553SS**Hα-helixtrans-61.3-42.9177.4-168.168.726.400111.4L152 F153 L159 D160L152-Q156 WeakPolarHBondContact O-CB 3.38Å; L152-Q156 PolarHBondContact O-N 2.92Å; F153-Q156 PolarHBondContact O-N 3.41Å; Q156-L159 PolarHBondContact O-N 2.89Å; Q156-D160 PolarHBondContact O-N 2.9Å; Q156-D160 VanDerWaalsContact O-N 3.1Å
157L91.9Very high88.3Confident99 Ų99118.4 Ų118.452%0.51856%0.559SS.*Hα-helixtrans-65-41.7177-177.164.8000112F153 E154 L155 L159 D160 H161F153-L157 PolarHBondContact O-N 2.97Å; E154-L157 PolarHBondContact O-N 3.33Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 2.9Å; L157-L159 VanDerWaalsContact C-N 3.35Å; L157-L159 PolarHBondContact O-N 2.87Å; L157-D160 PolarHBondContact O-N 3.02Å; L157-H161 PolarHBondContact O-N 3.5Å; L157-H161 VanDerWaalsContact O-N 3.08Å
158A88.4Confident87.9Confident55 Ų55116.8 Ų116.846%0.45555%0.551SS.*Hα-helixtrans-63.4-40.5177.300000112.3E154 L155 D160 H161 E162E154-A158 PolarHBondContact O-N 2.9Å; L155-A158 PolarHBondContact O-N 3.46Å; A158-D160 VanDerWaalsContact C-N 3.34Å; A158-H161 PolarHBondContact O-N 3.34Å; A158-E162 PolarHBondContact O-N 2.64Å
159L91Very high87.6Confident101 Ų101119.9 Ų119.953%0.52955%0.554SS.*Hα-helixtrans-66.1-37.8178-160.8155.1000111.3L155 Q156 L157 E162 R163L155-L159 WeakPolarHBondContact O-CB 3.34Å; L155-L159 PolarHBondContact O-N 2.95Å; Q156-L159 PolarHBondContact O-N 2.89Å; L157-L159 VanDerWaalsContact C-N 3.35Å; L157-L159 PolarHBondContact O-N 2.87Å; L159-E162 PolarHBondContact O-N 3.34Å; L159-R163 PolarHBondContact O-N 3.36Å
160D90.9Very high87.1Confident96 Ų96120.8 Ų120.851%0.51356%0.56SS.*Hα-helixtrans-66.1-41.8175.4-160.947.8000112.1Q156 L157 A158 E162 R163 Q164Q156-D160 PolarHBondContact O-N 2.9Å; Q156-D160 VanDerWaalsContact O-N 3.1Å; L157-D160 PolarHBondContact O-N 3.02Å; A158-D160 VanDerWaalsContact C-N 3.34Å; D160-E162 PolarHBondContact O-N 2.96Å; D160-R163 WeakPolarHBondContact O-CB 3.47Å; D160-R163 PolarHBondContact O-N 3.41Å; D160-Q164 PolarHBondContact O-N 3.47Å
161H91.2Very high86.3Confident96 Ų96115.2 Ų115.244%0.44454%0.542SS..Hα-helixtrans-61.7-40.7172.5-68.3160.1000112.7L157 A158 R163 Q164 L165L157-H161 PolarHBondContact O-N 3.5Å; L157-H161 VanDerWaalsContact O-N 3.08Å; A158-H161 PolarHBondContact O-N 3.34Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 3.32Å; H161-Q164 PolarHBondContact O-N 3.46Å; H161-L165 WeakPolarHBondContact O-CB 3.33Å; H161-L165 WeakPolarHBondContact O-CG 3.41Å; H161-L165 PolarHBondContact O-N 3Å
162E91Very high85.1Confident128 Ų128113.4 Ų113.460%0.59854%0.54SS*.Hα-helixtrans-63.1-39.6175.9-177.1176.5-16400111.7A158 L159 D160 L165 S166A158-E162 PolarHBondContact O-N 2.64Å; L159-E162 PolarHBondContact O-N 3.34Å; D160-E162 PolarHBondContact O-N 2.96Å; E162-L165 PolarHBondContact O-N 3.37Å; E162-S166 VanDerWaalsContact O-CB 3.32Å; E162-S166 WeakPolarHBondContact O-CB 3.32Å; E162-S166 PolarHBondContact O-N 3.19Å; E162-S166 PolarHBondContact O-OG 2.93Å
163R87.9Confident83.7Confident189 Ų189115.2 Ų115.271%0.71354%0.54SS*.Hα-helixtrans-62.1-45.3175.4-166.1179.4-146.7-134.91.2111.5L159 D160 H161 S166 Y167L159-R163 PolarHBondContact O-N 3.36Å; D160-R163 WeakPolarHBondContact O-CB 3.47Å; D160-R163 PolarHBondContact O-N 3.41Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 3.32Å; R163-S166 PolarHBondContact O-N 3.36Å; R163-Y167 PolarHBondContact O-N 3.19Å
164Q87Confident82.2Confident121 Ų121110.6 Ų110.657%0.56553%0.526SS*.Hα-helixtrans-64.8-42.5177.6-168.8179.116.300112.1D160 H161 S166 Y167 M168D160-Q164 PolarHBondContact O-N 3.47Å; H161-Q164 PolarHBondContact O-N 3.46Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; Q164-Y167 PolarHBondContact O-N 3Å; Q164-M168 WeakPolarHBondContact O-CG 3.46Å; Q164-M168 PolarHBondContact O-N 2.72Å
165L82.5Confident80.7Confident99 Ų99112.3 Ų112.352%0.51853%0.528SS..Hα-helixtrans-65-38.2176.1-74.4170.5000112.1H161 E162 M168 R169H161-L165 WeakPolarHBondContact O-CB 3.33Å; H161-L165 WeakPolarHBondContact O-CG 3.41Å; H161-L165 PolarHBondContact O-N 3Å; E162-L165 PolarHBondContact O-N 3.37Å; L165-M168 HydrophobicContact CD2-CE 3.82Å; L165-M168 PolarHBondContact O-N 3.06Å; L165-R169 VanDerWaalsContact O-CB 3.32Å; L165-R169 WeakPolarHBondContact O-CB 3.4Å; L165-R169 PolarHBondContact O-N 2.98Å
166S82.2Confident79.2Confident57 Ų57113.3 Ų113.340%0.39953%0.528SS..Hα-helixtrans-63.7-45.6175.8-63.30000110.9E162 R163 Q164 M168 R169 E170E162-S166 VanDerWaalsContact O-CB 3.32Å; E162-S166 WeakPolarHBondContact O-CB 3.32Å; E162-S166 PolarHBondContact O-N 3.19Å; E162-S166 PolarHBondContact O-OG 2.93Å; R163-S166 PolarHBondContact O-N 3.36Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; S166-M168 PolarHBondContact O-N 3.39Å; S166-R169 PolarHBondContact O-N 2.86Å; S166-E170 WeakPolarHBondContact O-CB 3.49Å; S166-E170 PolarHBondContact O-N 3.2Å
167Y82.8Confident77.5Confident146 Ų146110.9 Ų110.957%0.57352%0.519SS*.Hα-helixtrans-58-48.5174.5-178.9-91.2000112.1R163 Q164 R169 E170 E171R163-Y167 PolarHBondContact O-N 3.19Å; Q164-Y167 PolarHBondContact O-N 3Å; Y167-R169 VanDerWaalsContact C-N 3.3Å; Y167-R169 PolarHBondContact O-N 3.15Å; Y167-E170 PolarHBondContact O-N 2.82Å; Y167-E171 WeakPolarHBondContact CE1-OE2 3.45Å; Y167-E171 WeakPolarHBondContact O-CB 3.36Å; Y167-E171 PolarHBondContact O-N 3.38Å
168M77Confident75.7Confident101 Ų101111.4 Ų111.450%0.49852%0.518SS..Hα-helixtrans-63.8-35.6177.7-69.7-161.8-46.400112.7Q164 L165 S166 H172Q164-M168 WeakPolarHBondContact O-CG 3.46Å; Q164-M168 PolarHBondContact O-N 2.72Å; L165-M168 HydrophobicContact CD2-CE 3.82Å; L165-M168 PolarHBondContact O-N 3.06Å; S166-M168 PolarHBondContact O-N 3.39Å; M168-H172 WeakPolarHBondContact O-CB 3.48Å; M168-H172 PolarHBondContact O-N 3Å
169R79Confident74.1Confident187 Ų187114.8 Ų114.871%0.70653%0.528SS*.Hα-helixtrans-68.2-45178.3-172-173.5-53.5-154.84110.9L165 S166 Y167 H172 Y173L165-R169 VanDerWaalsContact O-CB 3.32Å; L165-R169 WeakPolarHBondContact O-CB 3.4Å; L165-R169 PolarHBondContact O-N 2.98Å; S166-R169 PolarHBondContact O-N 2.86Å; Y167-R169 VanDerWaalsContact C-N 3.3Å; Y167-R169 PolarHBondContact O-N 3.15Å; R169-H172 PolarHBondContact O-N 3.32Å; R169-Y173 WeakPolarHBondContact O-CB 3.38Å; R169-Y173 PolarHBondContact O-N 3.01Å
170E77.3Confident72.3Confident130 Ų130113.7 Ų113.761%0.60753%0.529SS*.Hα-helixtrans-64.5-47.8177.8-170.1166.1-153.800110.5S166 Y167 H172 Y173 C174S166-E170 WeakPolarHBondContact O-CB 3.49Å; S166-E170 PolarHBondContact O-N 3.2Å; Y167-E170 PolarHBondContact O-N 2.82Å; E170-H172 VanDerWaalsContact C-N 3.35Å; E170-H172 PolarHBondContact O-N 2.97Å; E170-Y173 PolarHBondContact O-N 3.28Å; E170-Y173 VanDerWaalsContact O-N 3.11Å; E170-C174 WeakPolarHBondContact O-CB 3.43Å; E170-C174 PolarHBondContact O-N 2.99Å; E170-C174 PolarHBondContact O-SG 3.4Å
171E72.7Confident70.3Confident68 Ų68114.9 Ų114.932%0.31853%0.531SS..Hα-helixtrans-60.2-43.6175.9-171.2178.7-167.300112Y167 Y173 C174 R175Y167-E171 WeakPolarHBondContact CE1-OE2 3.45Å; Y167-E171 WeakPolarHBondContact O-CB 3.36Å; Y167-E171 PolarHBondContact O-N 3.38Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 3.32Å; E171-C174 PolarHBondContact O-N 3.45Å; E171-R175 WeakPolarHBondContact O-CB 3.39Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 3Å; E171-R175 IonicContact OE1-CZ 3.67Å; E171-R175 IonicContact OE1-NE 3.52Å; E171-R175 IonicContact OE1-NH2 3.48Å; E171-R175 PolarHBondContact OE1-NH2 2.92Å; E171-R175 IonicContact OE2-NH2 2.64Å
172H64.6Low68.4Low109 Ų109117.4 Ų117.451%0.50554%0.541SS..Hα-helixtrans-69.2-30.7177.1-170.2-110.1000112.5M168 R169 E170 K176M168-H172 WeakPolarHBondContact O-CB 3.48Å; M168-H172 PolarHBondContact O-N 3Å; R169-H172 PolarHBondContact O-N 3.32Å; E170-H172 VanDerWaalsContact C-N 3.35Å; E170-H172 PolarHBondContact O-N 2.97Å; H172-K176 WeakPolarHBondContact CE1-CE 3.49Å; H172-K176 PolarHBondContact CE1-NZ 3.34Å; H172-K176 VanDerWaalsContact CE1-NZ 3.3Å; H172-K176 WeakPolarHBondContact O-CB 3.42Å; H172-K176 VanDerWaalsContact O-CG 3.28Å; H172-K176 WeakPolarHBondContact O-CG 3.39Å; H172-K176 PolarHBondContact O-N 3.43Å; H172-K176 VanDerWaalsContact O-N 3.08Å
173Y61.3Low66.6Low153 Ų153113.6 Ų113.660%0.654%0.536SS*.Hα-helixtrans-71.9-45.3174.6-169.9-103.4000111.2R169 E170 E171 K176 L177R169-Y173 WeakPolarHBondContact O-CB 3.38Å; R169-Y173 PolarHBondContact O-N 3.01Å; E170-Y173 PolarHBondContact O-N 3.28Å; E170-Y173 VanDerWaalsContact O-N 3.11Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 3.32Å; Y173-K176 PolarHBondContact O-N 3.02Å; Y173-L177 HydrophobicContact CD1-CD1 3.59Å; Y173-L177 HydrophobicContact CD1-CG 4.44Å; Y173-L177 HydrophobicContact CE1-CD1 3.3Å; Y173-L177 HydrophobicContact CE1-CG 4.17Å; Y173-L177 HydrophobicContact CG-CD1 4.49Å; Y173-L177 PolarHBondContact O-N 2.99Å
174C56.9Low64.8Low57 Ų57107.7 Ų107.739%0.38552%0.524SS..Hα-helixtrans-58.8-49.8173.5-69.40000111.3E170 E171 K176 L177 E178E170-C174 WeakPolarHBondContact O-CB 3.43Å; E170-C174 PolarHBondContact O-N 2.99Å; E170-C174 PolarHBondContact O-SG 3.4Å; E171-C174 PolarHBondContact O-N 3.45Å; C174-K176 VanDerWaalsContact C-N 3.3Å; C174-K176 PolarHBondContact O-N 3.21Å; C174-L177 PolarHBondContact O-N 3.25Å; C174-L177 VanDerWaalsContact O-N 3.16Å; C174-E178 WeakPolarHBondContact O-CG 3.43Å; C174-E178 PolarHBondContact O-N 3.4Å
175R57.5Low63.1Low141 Ų141107 Ų10753%0.53252%0.523SS..Hα-helixtrans-61.4-36.8176.5-72.8-172.4-160.1168.43.6112.9E171 L179E171-R175 WeakPolarHBondContact O-CB 3.39Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 3Å; E171-R175 IonicContact OE1-CZ 3.67Å; E171-R175 IonicContact OE1-NE 3.52Å; E171-R175 IonicContact OE1-NH2 3.48Å; E171-R175 PolarHBondContact OE1-NH2 2.92Å; E171-R175 IonicContact OE2-NH2 2.64Å; R175-L179 WeakPolarHBondContact O-CB 3.31Å; R175-L179 VanDerWaalsContact O-CG 3.32Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 3.34Å
176K57.9Low61.5Low123 Ų123105.6 Ų105.654%0.53553%0.533SS..Hα-helixtrans-67.5-39.6175.7-83.7179.6169.9-178.10112.4H172 Y173 C174 S180H172-K176 WeakPolarHBondContact CE1-CE 3.49Å; H172-K176 PolarHBondContact CE1-NZ 3.34Å; H172-K176 VanDerWaalsContact CE1-NZ 3.3Å; H172-K176 WeakPolarHBondContact O-CB 3.42Å; H172-K176 VanDerWaalsContact O-CG 3.28Å; H172-K176 WeakPolarHBondContact O-CG 3.39Å; H172-K176 PolarHBondContact O-N 3.43Å; H172-K176 VanDerWaalsContact O-N 3.08Å; Y173-K176 PolarHBondContact O-N 3.02Å; C174-K176 VanDerWaalsContact C-N 3.3Å; C174-K176 PolarHBondContact O-N 3.21Å; K176-S180 WeakPolarHBondContact O-CB 3.37Å; K176-S180 PolarHBondContact O-N 3.5Å
177L55.7Low59.8Low73 Ų73110.6 Ų110.638%0.38255%0.55SS.*Hα-helixtrans-65.3-43.6174.3-80.9166.3000111.4Y173 C174 S180 H181Y173-L177 HydrophobicContact CD1-CD1 3.59Å; Y173-L177 HydrophobicContact CD1-CG 4.44Å; Y173-L177 HydrophobicContact CE1-CD1 3.3Å; Y173-L177 HydrophobicContact CE1-CG 4.17Å; Y173-L177 HydrophobicContact CG-CD1 4.49Å; Y173-L177 PolarHBondContact O-N 2.99Å; C174-L177 PolarHBondContact O-N 3.25Å; C174-L177 VanDerWaalsContact O-N 3.16Å; L177-S180 WeakPolarHBondContact O-CB 3.27Å; L177-S180 PolarHBondContact O-N 3.49Å; L177-S180 VanDerWaalsContact O-N 3.16Å; L177-H181 PolarHBondContact O-CD2 3.01Å; L177-H181 PolarHBondContact O-N 3.15Å
178E55.6Low57.8Low109 Ų109109 Ų10951%0.50955%0.55SS..Hα-helixtrans-59.5-48.6175.4-73.5173.2179.300111.3C174 S180 H181 F182C174-E178 WeakPolarHBondContact O-CG 3.43Å; C174-E178 PolarHBondContact O-N 3.4Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 2.93Å; E178-H181 PolarHBondContact O-N 3.34Å; E178-H181 VanDerWaalsContact O-N 3.08Å; E178-F182 HydrophobicContact CB-CE2 4.48Å; E178-F182 WeakPolarHBondContact O-CD2 3.48Å; E178-F182 PolarHBondContact O-N 3Å
179L53.9Low56.1Low127 Ų127109.1 Ų109.167%0.66556%0.558SS**Hα-helixtrans-61-35.6175.4-72.4173.1000112.5R175 G183R175-L179 WeakPolarHBondContact O-CB 3.31Å; R175-L179 VanDerWaalsContact O-CG 3.32Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 3.34Å; L179-G183 PolarHBondContact O-N 3.34Å
180S53.9Low54.2Low78 Ų78106.5 Ų106.555%0.54556%0.563SS.*Hα-helixtrans-66-38.9173.9-173.50000111.9K176 L177 E178 S184K176-S180 WeakPolarHBondContact O-CB 3.37Å; K176-S180 PolarHBondContact O-N 3.5Å; L177-S180 WeakPolarHBondContact O-CB 3.27Å; L177-S180 PolarHBondContact O-N 3.49Å; L177-S180 VanDerWaalsContact O-N 3.16Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 2.93Å; S180-S184 WeakPolarHBondContact O-CB 3.47Å; S180-S184 PolarHBondContact O-N 3.13Å; S180-S184 VanDerWaalsContact O-N 3.12Å; S180-S184 PolarHBondContact O-OG 3.49Å
181H48.7Very low52Low120 Ų120106.4 Ų106.456%0.55657%0.571SS**Hα-helixtrans-69.6-43.9176.5-85.2-65.8000112.5L177 E178 S184 L185L177-H181 PolarHBondContact O-CD2 3.01Å; L177-H181 PolarHBondContact O-N 3.15Å; E178-H181 PolarHBondContact O-N 3.34Å; E178-H181 VanDerWaalsContact O-N 3.08Å; H181-S184 WeakPolarHBondContact CA-OG 3.46Å; H181-S184 PolarHBondContact O-N 2.99Å; H181-S184 PolarHBondContact O-OG 2.95Å; H181-S184 VanDerWaalsContact O-OG 3.13Å; H181-L185 PolarHBondContact O-N 3.12Å
182F51.4Low50.3Low149 Ų149108.2 Ų108.265%0.65459%0.591SS**Hα-helixtrans-67.6-37.8175.9-73.7-68.8000112.3E178 S184 L185 G186E178-F182 HydrophobicContact CB-CE2 4.48Å; E178-F182 WeakPolarHBondContact O-CD2 3.48Å; E178-F182 PolarHBondContact O-N 3Å; F182-S184 VanDerWaalsContact C-N 3.28Å; F182-S184 PolarHBondContact O-N 3.19Å; F182-L185 PolarHBondContact O-N 3.24Å; F182-G186 PolarHBondContact O-N 3.21Å
183G53.6Low48.5Very low48 Ų48110.1 Ų110.150%0.49560%0.603SS.*Hα-helixtrans-65.5-29.1174.900000113.8L179L179-G183 PolarHBondContact O-N 3.34Å
184S50.3Low47Very low66 Ų66108.2 Ų108.246%0.46260%0.602SS.*Hα-helixtrans-86.3-27177.641.50000113.4S180 H181 F182 H187S180-S184 WeakPolarHBondContact O-CB 3.47Å; S180-S184 PolarHBondContact O-N 3.13Å; S180-S184 VanDerWaalsContact O-N 3.12Å; S180-S184 PolarHBondContact O-OG 3.49Å; H181-S184 WeakPolarHBondContact CA-OG 3.46Å; H181-S184 PolarHBondContact O-N 2.99Å; H181-S184 PolarHBondContact O-OG 2.95Å; H181-S184 VanDerWaalsContact O-OG 3.13Å; F182-S184 VanDerWaalsContact C-N 3.28Å; F182-S184 PolarHBondContact O-N 3.19Å; S184-H187 PolarHBondContact O-N 2.9Å
185L49.8Very low46.1Very low105 Ų105113.3 Ų113.355%0.5563%0.625SS.*Hα-helixtrans-70.5-31172.2-81.9159.7000113.3H181 F182 H187 I188H181-L185 PolarHBondContact O-N 3.12Å; F182-L185 PolarHBondContact O-N 3.24Å; L185-H187 PolarHBondContact O-N 2.9Å; L185-H187 VanDerWaalsContact O-N 3.11Å; L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 PolarHBondContact O-N 3.42Å
186G49.7Very low44.7Very low70 Ų70115.3 Ų115.372%0.72264%0.638SS**THydrogen-bonded Turntrans-63.8-12.3173.200000114.5F182F182-G186 PolarHBondContact O-N 3.21Å
187H45.4Very low43.7Very low163 Ų163115.3 Ų115.376%0.75565%0.65SS**THydrogen-bonded Turntrans-105.55178.7-90-59.2000114.5S184 L185 P189S184-H187 PolarHBondContact O-N 2.9Å; L185-H187 PolarHBondContact O-N 2.9Å; L185-H187 VanDerWaalsContact O-N 3.11Å; H187-P189 WeakPolarHBondContact O-CD 3.4Å
188I41.3Very low42.6Very low111 Ų111118.7 Ų118.757%0.56967%0.674SS**SBendtrans-76.9108.3164.7-54.3-177.4000106L185 T190L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 PolarHBondContact O-N 3.42Å; I188-T190 PolarHBondContact O-N 3.23Å; I188-T190 VanDerWaalsContact O-N 3.08Å
189P42Very low41.2Very low104 Ų104116 Ų11668%0.67568%0.676SS**  trans-56.4123.617324.2-31.8000106.9H187 V191H187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-V191 PolarHBondContact O-N 3.04Å
190T37.9Very low40.2Very low132 Ų132119.1 Ų119.181%0.8169%0.686SS**  trans-49.8107.2168360000107I188 S192I188-T190 PolarHBondContact O-N 3.23Å; I188-T190 VanDerWaalsContact O-N 3.08Å; T190-S192 PolarHBondContact O-N 3.47Å
191V32.3Very low39.5Very low128 Ų128120.5 Ų120.578%0.77669%0.693SS**  trans-67.791.5166.6-177.30000103.9P189 M193P189-V191 PolarHBondContact O-N 3.04Å; V191-M193 VanDerWaalsContact C-N 3.31Å; V191-M193 PolarHBondContact O-N 2.88Å
192S37Very low38.6Very low106 Ų106124.4 Ų124.474%0.74171%0.711SS**  trans-59.198.9174.9-168.10000107.1T190 I194T190-S192 PolarHBondContact O-N 3.47Å; S192-I194 PolarHBondContact O-N 3.01Å
193M25.9Very low37.5Very low150 Ų150122.3 Ų122.374%0.73972%0.722SS**  trans-72.1115.7168.7-83.2-179.536.400107.4V191V191-M193 VanDerWaalsContact C-N 3.31Å; V191-M193 PolarHBondContact O-N 2.88Å
194I30.6Very low36.5Very low113 Ų113124.3 Ų124.358%0.57973%0.734SS**  trans81.4114.9154.3-50.7153.3000115S192 F196S192-I194 PolarHBondContact O-N 3.01Å; I194-F196 HydrophobicContact CG2-CD2 4.28Å
195D37.7Very low35.3Very low164 Ų164129.9 Ų129.988%0.87776%0.755SS**  trans-146.1101.6137.4-91-33.8000108.4
196F28.2Very low34.4Very low183 Ų183133.8 Ų133.880%0.80377%0.769SS**  trans-76.9138168.8-87.7-88.8000109.4I194 V198I194-F196 HydrophobicContact CG2-CD2 4.28Å; F196-V198 PolarHBondContact O-N 3.11Å; F196-V198 VanDerWaalsContact O-N 3.17Å
197P37.1Very low33.4Very low122 Ų122137.7 Ų137.779%0.79277%0.774SS**  trans-78.2106.6-171.230.1-33.1000111.2G199P197-G199 PolarHBondContact O-N 2.82Å
198V33.3Very low32.6Very low145 Ų145135.8 Ų135.888%0.87977%0.773SS**  trans-81.4103.8164.3-179.70000107.2F196F196-V198 PolarHBondContact O-N 3.11Å; F196-V198 VanDerWaalsContact O-N 3.17Å
199G25.4Very low32Very low53 Ų53137 Ų13755%0.54679%0.786SS.*  trans-68.9174.5-170.500000115.6P197P197-G199 PolarHBondContact O-N 2.82Å
200H33.5Very low31.5Very low192 Ų192141.9 Ų141.989%0.88980%0.797SS**  -174.2155.3127.2-96.744.5000109.7
201P38.2Very low31Very low106 Ų106138.9 Ų138.969%0.68879%0.792SS**  trans-100.8133.9-146.135.4-29.6000113.6
202H30.8Very low30.7Very low202 Ų202143.4 Ų143.494%0.93580%0.802SS**  trans-132.9115.7151.9-88.5-73.2000109.9A204H202-A204 PolarHBondContact O-N 3.16Å
203A28Very low30.2Very low106 Ų106142.8 Ų142.888%0.87680%0.802SS**  trans-69121.3175.500000110.7
204A31.6Very low30.3Very low90 Ų90139.7 Ų139.774%0.74480%0.801SS**  trans-156.6101.3148.600000108.2H202 H206H202-A204 PolarHBondContact O-N 3.16Å; A204-H206 PolarHBondContact O-N 3.28Å
205M24.8Very low30.4Very low183 Ų183140.5 Ų140.590%0.90181%0.814SS**  trans-61.3104.5169.2-61.9-164.2-56.500109.7
206H32.1Very low29.7Very low186 Ų186139.9 Ų139.986%0.86181%0.81SS**  trans-135.888.4152-86.4-71.6000109.1A204A204-H206 PolarHBondContact O-N 3.28Å
207N28.3Very low29.6Very low152 Ų152136.6 Ų136.681%0.81381%0.81SS**  trans-79.9107166.4-163.75.2000107.7
208V29.1Very low29Very low123 Ų123136.9 Ų136.975%0.74581%0.809SS**  trans-174.3105.4141.1-1010000111.2K210V208-K210 PolarHBondContact O-N 3.46Å; V208-K210 VanDerWaalsContact O-N 3.1Å
209T28.1Very low28.6Very low136 Ų136138.2 Ų138.283%0.83481%0.811SS**  19.480.1125.1-38.10000116.9
210K30.7Very low28.7Very low208 Ų208145.7 Ų145.790%0.90483%0.828SS**  trans-143.398.2149.6-74.2-175.7-178.6175.20104.9V208V208-K210 PolarHBondContact O-N 3.46Å; V208-K210 VanDerWaalsContact O-N 3.1Å
211G27.6Very low28.3Very low68 Ų68141.9 Ų141.970%0.70182%0.823SS**  98.894.566.900000106.5A213G211-A213 PolarHBondContact O-N 3.26Å
212F26.8Very low27.6Very low224 Ų224141.1 Ų141.198%0.98283%0.826SS**  trans-43.5110.1161.3-80.7-102.4000109.2
213A27.1Very low27.2Very low92 Ų92140.8 Ų140.876%0.7683%0.825SS**  trans-143.8111.4163.800000107.4G211G211-A213 PolarHBondContact O-N 3.26Å
214A27.1Very low27Very low85 Ų85143.8 Ų143.870%0.70282%0.821SS**  trans-55145.3178.700000111.9N216A214-N216 PolarHBondContact O-N 3.1Å; A214-N216 VanDerWaalsContact O-N 3.1Å
215P32.8Very low26.6Very low131 Ų131144.5 Ų144.585%0.85182%0.82SS**  trans-71.2107175.328.2-30.7000109.8
216N23.6Very low26.6Very low151 Ų151144.2 Ų144.281%0.80781%0.814SS**  trans-89.7143.8161.8-91-23.8000109.8A214A214-N216 PolarHBondContact O-N 3.1Å; A214-N216 VanDerWaalsContact O-N 3.1Å
217S25.5Very low26.3Very low113 Ų113142.5 Ų142.579%0.7981%0.81SS**  trans82.8132.7177.180.10000114.8
218T24.5Very low26Very low128 Ų128140.8 Ų140.879%0.78581%0.808SS**  cis-159.514326-30.90000109.5K220T218-K220 PolarHBondContact O-N 3.36Å
219L24.3Very low26Very low174 Ų174140.9 Ų140.991%0.91181%0.808SS**  trans-49.5127.1167-71.6146.7000111.7
220K27.6Very low25.8Very low210 Ų210138.7 Ų138.791%0.91380%0.804SS**  trans-130.9134.1152.5-84.6-170.6178.7179.30109.9T218T218-K220 PolarHBondContact O-N 3.36Å
221S24.9Very low25.5Very low111 Ų111132.2 Ų132.278%0.77680%0.797SS**  trans-60.1147.6-170.656.60000115.6
222A23.7Very low25.4Very low90 Ų90134 Ų13474%0.74480%0.797SS**  trans45.693.5132.100000117.9
223Q23.6Very low25.2Very low196 Ų196126.5 Ų126.592%0.91678%0.783SS**  trans-129.7116.5132.8-80.3-166.3-39.600108.9
224Q22.4Very low25.5Very low169 Ų169130.2 Ų130.279%0.7979%0.789SS**  trans-68.5126.3163.8-67.4173.4-26.500108.1F226Q224-F226 HydrophobicContact CB-CE2 4.35Å
225S24.9Very low25.4Very low105 Ų105133.9 Ų133.973%0.73480%0.797SS**  trans-130.999.5154.460.50000107.5L227S225-L227 PolarHBondContact O-N 3.43Å
226F24.5Very low25Very low176 Ų176131.1 Ų131.177%0.77279%0.792SS**  trans-61.5117.1164.8-69-95.3000107.6Q224Q224-F226 HydrophobicContact CB-CE2 4.35Å
227L24.8Very low25Very low150 Ų150131.4 Ų131.479%0.78579%0.794SS**  trans-104.4113.6161-73.3175.3000107.5S225 V229S225-L227 PolarHBondContact O-N 3.43Å; L227-V229 PolarHBondContact O-N 2.99Å
228P22.8Very low25.1Very low117 Ų117133.4 Ų133.476%0.7680%0.795SS**  trans-68115172.526.3-30000108.8A230P228-A230 PolarHBondContact O-N 3.5Å
229V28Very low25.1Very low124 Ų124135.1 Ų135.175%0.75280%0.796SS**  trans-78.583.3170-178.40000107.5L227L227-V229 PolarHBondContact O-N 2.99Å
230A24.5Very low25.2Very low90 Ų90132 Ų13274%0.74479%0.787SS**  trans-78.3120.316300000108.4P228P228-A230 PolarHBondContact O-N 3.5Å
231G24.3Very low25Very low73 Ų73127.2 Ų127.275%0.75378%0.781SS**  trans5778.8158.400000116.8G233G231-G233 VanDerWaalsContact C-N 3.33Å; G231-G233 PolarHBondContact O-N 3.36Å
232C26.2Very low25.1Very low105 Ų105128 Ų12871%0.70978%0.781SS**  trans-71.797.9155.4-72.50000108.1
233G23Very low25.3Very low66 Ų66129.1 Ų129.168%0.6878%0.78SS**  trans-56.8139.5167.400000110.4G231 N235G231-G233 VanDerWaalsContact C-N 3.33Å; G231-G233 PolarHBondContact O-N 3.36Å; G233-N235 VanDerWaalsContact C-N 3.34Å; G233-N235 PolarHBondContact O-N 3.08Å
234L32.7Very low25.5Very low170 Ų170125.5 Ų125.589%0.8977%0.774SS**SBendtrans-60.393.5172.1-64.9162.2000108.4
235N24.8Very low25.7Very low162 Ų162124 Ų12487%0.86678%0.78SS**SBendtrans-177.9101.1157.2-87-23.9000110G233G233-N235 VanDerWaalsContact C-N 3.34Å; G233-N235 PolarHBondContact O-N 3.08Å
236G24.3Very low25.9Very low74 Ų74122.3 Ų122.376%0.76377%0.773SS**SBendtrans75.1134.1158.300000116.5
237D23.7Very low26.1Very low157 Ų157121.1 Ų121.184%0.8478%0.78SS**  trans65.868169.6-67.6-17000117.9M239D237-M239 PolarHBondContact O-N 3.48Å
238L28.4Very low26.1Very low154 Ų154117.8 Ų117.881%0.80677%0.77SS**  trans-70.980.1154-83.5158.9000109.8C240L238-C240 PolarHBondContact O-N 3.15Å
239M23.6Very low26.5Very low164 Ų164118.4 Ų118.481%0.80877%0.774SS**  trans-63.486.8151.8-76.9-72.3-17300107.5D237 S241D237-M239 PolarHBondContact O-N 3.48Å; M239-S241 VanDerWaalsContact C-N 3.27Å; M239-S241 PolarHBondContact O-N 3.14Å
240C25.7Very low26.4Very low109 Ų109120.4 Ų120.474%0.73678%0.775SS**  trans-62.692.2170.2-1000000108.5L238 T242L238-C240 PolarHBondContact O-N 3.15Å; C240-T242 PolarHBondContact O-N 3.01Å
241S24.8Very low26.3Very low110 Ų110119 Ų11977%0.76976%0.763SS**  trans-63102.1165.3-63.60000107.4M239 P243M239-S241 VanDerWaalsContact C-N 3.27Å; M239-S241 PolarHBondContact O-N 3.14Å; S241-P243 VanDerWaalsContact O-N 3.17Å
242T26.6Very low26.5Very low128 Ų128120.6 Ų120.679%0.78576%0.758SS**  trans-41.5117.7174.1-20.60000109.9C240C240-T242 PolarHBondContact O-N 3.01Å
243P27.1Very low26.5Very low112 Ų112120.3 Ų120.373%0.72775%0.753SS**  trans-65.1135.7176.424.6-30.3000108.8S241 C245S241-P243 VanDerWaalsContact O-N 3.17Å; P243-C245 PolarHBondContact O-N 2.7Å
244P29.1Very low26.8Very low120 Ų120126.1 Ų126.178%0.77976%0.76SS**  trans-65.7138.4-178.926.6-32000109.6A246P244-A246 PolarHBondContact O-N 3.04Å
245C25.5Very low26.4Very low137 Ų137124.6 Ų124.693%0.92675%0.752SS**  trans-39.398176.4-74.90000112.4P243P243-C245 PolarHBondContact O-N 2.7Å
246A28.8Very low26.6Very low71 Ų71122.3 Ų122.359%0.58775%0.749SS**  trans-107.4109.4161.400000107.1P244 S248P244-A246 PolarHBondContact O-N 3.04Å; A246-S248 PolarHBondContact O-N 3.31Å
247T28.7Very low26.6Very low150 Ų150124.6 Ų124.692%0.9275%0.748SS**SBendtrans-63.973.4176.4-18.50000110
248S26.7Very low26.8Very low81 Ų81123.6 Ų123.657%0.56674%0.741SS**SBendtrans-174131171.2173.70000109.3A246 Q250A246-S248 PolarHBondContact O-N 3.31Å; S248-Q250 PolarHBondContact O-N 2.89Å
249P29.5Very low26.6Very low130 Ų130121 Ų12184%0.84473%0.733SS**  trans-65.1102.9177.427.3-32.4000109.8A251P249-A251 PolarHBondContact O-N 3.4Å
250Q25.9Very low26.8Very low166 Ų166118.7 Ų118.778%0.77673%0.73SS**  trans-78.9113.2167.8-70.5-170.6-800108.5S248 V252S248-Q250 PolarHBondContact O-N 2.89Å; Q250-V252 PolarHBondContact O-N 3.45Å
251A24Very low27Very low59 Ų59120.1 Ų120.149%0.48873%0.729SS.*  trans-68.2117.6167.500000108.7P249 V253 W284P249-A251 PolarHBondContact O-N 3.4Å; A251-V253 PolarHBondContact O-N 3.18Å; A251-W284 HydrophobicContact CB-CE3 3.85Å; A251-W284 HydrophobicContact CB-CZ3 3.44Å; A251-W284 VanDerWaalsContact CB-CZ3 3.44Å
252V28.1Very low27Very low107 Ų107120.3 Ų120.365%0.64873%0.73SS**  trans-75.8114171.5-179.30000107.6Q250 F254Q250-V252 PolarHBondContact O-N 3.45Å; V252-F254 HydrophobicContact CB-CE2 4.47Å; V252-F254 HydrophobicContact CG1-CD2 4.44Å; V252-F254 HydrophobicContact CG1-CE2 4.07Å; V252-F254 HydrophobicContact CG1-CZ 4.15Å; V252-F254 PolarHBondContact O-N 2.85Å
253V25Very low27Very low100 Ų100118.4 Ų118.461%0.60672%0.722SS**  trans-82.6106.9175.8179.50000108.5A251 N255A251-V253 PolarHBondContact O-N 3.18Å; V253-N255 PolarHBondContact O-N 2.86Å
254F29.7Very low26.9Very low188 Ų188120.6 Ų120.683%0.82573%0.727SS**  trans-80.491.4166.6-68.8-82.1000109.1V252 S256V252-F254 HydrophobicContact CB-CE2 4.47Å; V252-F254 HydrophobicContact CG1-CD2 4.44Å; V252-F254 HydrophobicContact CG1-CE2 4.07Å; V252-F254 HydrophobicContact CG1-CZ 4.15Å; V252-F254 PolarHBondContact O-N 2.85Å; F254-S256 PolarHBondContact O-N 3.41Å
255N25Very low26.9Very low137 Ų137123.3 Ų123.373%0.73373%0.731SS**  trans-79.496.3161-93.6-10.2000107.9V253 T257V253-N255 PolarHBondContact O-N 2.86Å; N255-T257 VanDerWaalsContact C-N 3.3Å; N255-T257 PolarHBondContact O-N 3.44Å; N255-T257 VanDerWaalsContact O-N 3.11Å
256S27.7Very low27.2Very low114 Ų114122 Ų12280%0.79772%0.721SS**  trans-81.181.7167.6-174.30000109.1F254 M258F254-S256 PolarHBondContact O-N 3.41Å; S256-M258 PolarHBondContact O-N 3.11Å; S256-M258 VanDerWaalsContact O-N 3.16Å
257T25Very low27.2Very low122 Ų122126.2 Ų126.275%0.74873%0.728SS**  trans-75.693.7162.9-370000107N255N255-T257 VanDerWaalsContact C-N 3.3Å; N255-T257 PolarHBondContact O-N 3.44Å; N255-T257 VanDerWaalsContact O-N 3.11Å
258M27.4Very low27.3Very low137 Ų137127.7 Ų127.768%0.67572%0.724SS**PPolyproline II helixtrans-63.6126.1171.2-167.6-174.5171.200107.9S256 I261S256-M258 PolarHBondContact O-N 3.11Å; S256-M258 VanDerWaalsContact O-N 3.16Å; M258-I261 HydrophobicContact CE-CD1 3.74Å; M258-I261 HydrophobicContact CE-CG1 4.27Å
259P25.5Very low27.5Very low99 Ų99128.8 Ų128.864%0.64373%0.732SS**PPolyproline II helixtrans-65.6133.9176.125.2-30.9000109.1I261P259-I261 PolarHBondContact O-N 2.96Å; P259-I261 VanDerWaalsContact O-N 3.15Å
260P26.1Very low27.7Very low115 Ų115131 Ų13175%0.74773%0.731SS**PPolyproline II helixtrans-63119.7178.424.5-31.4000109.2S262P260-S262 PolarHBondContact O-N 3.32Å
261I30.4Very low27.9Very low140 Ų140131.1 Ų131.172%0.71874%0.736SS**  trans-74.673172.9-47.2173.9000107.5M258 P259 S263M258-I261 HydrophobicContact CE-CD1 3.74Å; M258-I261 HydrophobicContact CE-CG1 4.27Å; P259-I261 PolarHBondContact O-N 2.96Å; P259-I261 VanDerWaalsContact O-N 3.15Å; I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.69Å
262S24.6Very low28.1Very low113 Ų113132.2 Ų132.279%0.7975%0.745SS**  trans-88.367.6165.1-720000108.6P260P260-S262 PolarHBondContact O-N 3.32Å
263S26.4Very low28.1Very low88 Ų88130.6 Ų130.662%0.61574%0.743SS**  trans-178.192.3162.8-178.30000108.2I261I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.69Å
264L26.7Very low28.3Very low159 Ų159129 Ų12983%0.83274%0.74SS**SBendtrans157.7106.2143-97.498.4000108.1
265M28.3Very low28.3Very low177 Ų177124.3 Ų124.387%0.87274%0.736SS**  trans95.3139.7165.3-55.3-104.291.500118.1
266P31.5Very low28.6Very low108 Ų108122 Ų12270%0.70174%0.736SS**  trans-94.2144.7-158.936.3-31.7000114.2
267H29.2Very low28.9Very low161 Ų161120.1 Ų120.175%0.74573%0.727SS**SBendtrans31.190.4146.5-87.1-98.5000118.6
268H31.4Very low29.1Very low181 Ų181122.9 Ų122.984%0.83873%0.731SS**SBend165.475.2122.4-86.4-35.7000111.7
269S30.3Very low29.1Very low104 Ų104127.4 Ų127.473%0.72774%0.741SS**  trans-164.944.6160.349.40000111.6L271S269-L271 PolarHBondContact O-N 3.13Å
270Q34.3Very low29.2Very low177 Ų177128 Ų12883%0.82775%0.748SS**THydrogen-bonded Turntrans-76.33179.2-92.8-178.3-12.900115.3
271L29Very low29.3Very low168 Ų168127.1 Ų127.188%0.8874%0.744SS**THydrogen-bonded Turntrans-99.1-18.3-178.4-107.6143.9000114.8S269S269-L271 PolarHBondContact O-N 3.13Å
272A29.3Very low29.3Very low81 Ų81125.2 Ų125.267%0.66974%0.739SS**THydrogen-bonded Turntrans-91.9-29.2178.500000113.4
273A27.7Very low29.4Very low74 Ų74126.3 Ų126.361%0.61274%0.735SS**THydrogen-bonded Turntrans-78.6-24.5-179.100000113.6
274A29.9Very low29.4Very low67 Ų67131 Ų13155%0.55474%0.739SS**THydrogen-bonded Turntrans-72.6-27.8-179.900000113.1
275A28.7Very low29.3Very low88 Ų88128.8 Ų128.873%0.72773%0.732SS**THydrogen-bonded Turntrans-78.2-22.2-179.100000113.6
276A32.2Very low29.1Very low89 Ų89125.6 Ų125.674%0.73673%0.725SS**SBendtrans-85-12.517800000113.4
277A32.6Very low29.1Very low74 Ų74127.6 Ų127.661%0.61273%0.728SS**SBendtrans-86.3-11.7-17500000114.8
278E30.2Very low28.9Very low180 Ų180126.2 Ų126.284%0.84173%0.731SS**SBendtrans-102.18.2-169.7-103.1-154.7167.900117.2
279R26.9Very low28.9Very low232 Ų232124.9 Ų124.988%0.87573%0.725SS**  trans-130.373.3170.1-71.3-169178174.41.1112.6S281R279-S281 VanDerWaalsContact C-N 3.25Å; R279-S281 PolarHBondContact O-N 3.15Å
280S28.4Very low28.8Very low112 Ų112123.5 Ų123.578%0.78372%0.72SS**  trans-57.189.9156.1-52.70000109.1T282S280-T282 PolarHBondContact O-N 3.04Å
281S27.7Very low28.6Very low97 Ų97120.9 Ų120.968%0.67872%0.719SS**  trans-81.799.2170.658.70000108.5R279 I283R279-S281 VanDerWaalsContact C-N 3.25Å; R279-S281 PolarHBondContact O-N 3.15Å; S281-I283 PolarHBondContact O-N 2.97Å; S281-I283 VanDerWaalsContact O-N 3.15Å
282T31Very low28.5Very low99 Ų99123 Ų12361%0.60772%0.715SS**  trans-65.1107.7173.3-55.60000109.4S280 W284S280-T282 PolarHBondContact O-N 3.04Å; T282-W284 HydrophobicContact CG2-CZ2 4.39Å
283I25.6Very low28.4Very low137 Ų137125.3 Ų125.370%0.70372%0.721SS**  trans-90.4115.9174.2-58.9176.4000108.8S281 V285S281-I283 PolarHBondContact O-N 2.97Å; S281-I283 VanDerWaalsContact O-N 3.15Å; I283-V285 HydrophobicContact CG2-CG2 4Å; I283-V285 PolarHBondContact O-N 2.85Å
284W27.1Very low28.3Very low186 Ų186126 Ų12671%0.70573%0.727SS**  trans-85.3107.4174.2-6184.1000109.5A251 T282 P286A251-W284 HydrophobicContact CB-CE3 3.85Å; A251-W284 HydrophobicContact CB-CZ3 3.44Å; A251-W284 VanDerWaalsContact CB-CZ3 3.44Å; T282-W284 HydrophobicContact CG2-CZ2 4.39Å; W284-P286 WeakPolarHBondContact O-CD 3.48Å
285V24.7Very low28.1Very low113 Ų113131.4 Ų131.469%0.68575%0.745SS**  trans-101.7106.7171.7-175.50000109.1I283 I287I283-V285 HydrophobicContact CG2-CG2 4Å; I283-V285 PolarHBondContact O-N 2.85Å; V285-I287 PolarHBondContact O-N 3.3Å
286P23.9Very low27.9Very low110 Ų110130.2 Ų130.271%0.71474%0.741SS**  trans-71.9110173.225.9-29.8000110W284 T288W284-P286 WeakPolarHBondContact O-CD 3.48Å; P286-T288 PolarHBondContact O-N 3.01Å; P286-T288 VanDerWaalsContact O-N 3.16Å
287I30.8Very low27.4Very low150 Ų150133.1 Ų133.177%0.76975%0.749SS**  trans-74.7102.3169.5-55.8174.1000107V285 E289V285-I287 PolarHBondContact O-N 3.3Å; I287-E289 PolarHBondContact O-N 3.03Å
288T26.1Very low26.9Very low131 Ų131136.9 Ų136.980%0.80476%0.759SS**  trans-85.1103.1167.128.50000107.7P286 A290P286-T288 PolarHBondContact O-N 3.01Å; P286-T288 VanDerWaalsContact O-N 3.16Å; T288-A290 PolarHBondContact O-N 3.46Å; T288-A290 VanDerWaalsContact O-N 3.13Å
289E31.6Very low26.6Very low153 Ų153132 Ų13272%0.71575%0.75SS**  trans-64.2112.1172.7-141178178.800108.1I287I287-E289 PolarHBondContact O-N 3.03Å
290A28.3Very low26.4Very low76 Ų76127.9 Ų127.963%0.62875%0.745SS**  trans-58.8135.4173.400000108.3T288 R292T288-A290 PolarHBondContact O-N 3.46Å; T288-A290 VanDerWaalsContact O-N 3.13Å; A290-R292 PolarHBondContact O-N 3.42Å
291P28.2Very low26.3Very low122 Ų122128.4 Ų128.479%0.79275%0.747SS**  trans-60105.9-178.322.4-30.7000108.7T293P291-T293 VanDerWaalsContact C-N 3.29Å; P291-T293 PolarHBondContact O-N 3.36Å
292R28.2Very low26.1Very low212 Ų212130.7 Ų130.780%0.875%0.752SS**  trans-64.595.1168.8-69-180173-173.9-1.9106.1A290 A294A290-R292 PolarHBondContact O-N 3.42Å; R292-A294 PolarHBondContact O-N 2.93Å
293T25.9Very low26Very low130 Ų130130.1 Ų130.180%0.79876%0.757SS**  trans-62.487.3156.737.50000106.1P291 L295P291-T293 VanDerWaalsContact C-N 3.29Å; P291-T293 PolarHBondContact O-N 3.36Å; T293-L295 PolarHBondContact O-N 3.38Å
294A27.3Very low25.9Very low89 Ų89132.4 Ų132.474%0.73676%0.762SS**  trans-54.3114.1165.500000106.1R292 G296R292-A294 PolarHBondContact O-N 2.93Å; A294-G296 PolarHBondContact O-N 3.41Å
295L25.3Very low25.7Very low180 Ų180129.6 Ų129.694%0.94277%0.766SS**  trans-62.768.9163.6-73.9153.6000107.6T293T293-L295 PolarHBondContact O-N 3.38Å
296G23.2Very low25.8Very low62 Ų62128.5 Ų128.564%0.63977%0.768SS**  trans-100.492.717300000107.4A294 N298A294-G296 PolarHBondContact O-N 3.41Å; G296-N298 PolarHBondContact O-N 2.99Å; G296-N298 VanDerWaalsContact O-N 3.1Å
297V22.6Very low25.8Very low150 Ų150130.2 Ų130.291%0.90977%0.772SS**  trans-54.4111.3168178.70000108.3
298N21.8Very low25.6Very low153 Ų153134 Ų13482%0.81878%0.778SS**  trans-135.9126.2148.9-166.6-6.4000109.1G296G296-N298 PolarHBondContact O-N 2.99Å; G296-N298 VanDerWaalsContact O-N 3.1Å
299A23.9Very low25.4Very low78 Ų78139.7 Ų139.765%0.64579%0.785SS**  trans-67.5160.3177.900000111.6
300N22.4Very low25Very low145 Ų145136 Ų13678%0.77579%0.788SS**  trans83.373.6161-150.718.3000117.2
301C26.2Very low25.1Very low123 Ų123140.1 Ų140.183%0.83180%0.799SS**  trans-124.278.4150.2-53.20000107.9A303C301-A303 PolarHBondContact O-N 2.9Å
302D23.9Very low25.1Very low145 Ų145143.8 Ų143.878%0.77580%0.803SS**  trans-6582.6161.5-163.6-0.3000108.1
303A29.4Very low25Very low87 Ų87139.7 Ų139.772%0.71981%0.805SS**  trans-119.683.517600000108.9C301 T305C301-A303 PolarHBondContact O-N 2.9Å; A303-T305 PolarHBondContact O-N 3.4Å
304K23.4Very low25Very low185 Ų185138.6 Ų138.680%0.80480%0.803SS**  trans-20.8112.5158.9-77.7172.4173.7172.70113.7A306K304-A306 PolarHBondContact O-N 3.25Å
305T23.6Very low25.2Very low128 Ų128142.2 Ų142.279%0.78581%0.81SS**  20.583.8128.6-20.90000116A303A303-T305 PolarHBondContact O-N 3.4Å
306A26.5Very low25.4Very low89 Ų89138 Ų13874%0.73681%0.809SS**  trans-86.6106.6155.300000108.2K304 Y308K304-A306 PolarHBondContact O-N 3.25Å; A306-Y308 PolarHBondContact O-N 3.47Å
307N22.6Very low25.5Very low147 Ų147138.2 Ų138.279%0.78681%0.812SS**  trans-44.6100.5173.7-89.8-51000112.5
308Y26.6Very low25.9Very low228 Ų228139.8 Ų139.889%0.89481%0.81SS**  trans-108.2103.5152.4-93-87000108.5A306 G310A306-Y308 PolarHBondContact O-N 3.47Å; Y308-G310 PolarHBondContact O-N 2.85Å
309R22.9Very low26.6Very low251 Ų251140.6 Ų140.695%0.94781%0.809SS**  trans-75.9108.6-177.4-147.9-177.5-166-143.85.1108
310G23.9Very low27.3Very low76 Ų76142.1 Ų142.178%0.78481%0.812SS**  trans107.383.5163.700000115.6Y308Y308-G310 PolarHBondContact O-N 2.85Å
311N28.4Very low28.4Very low162 Ų162144.5 Ų144.587%0.86682%0.815SS**  -165.4125105.1-148.87.7000108C313N311-C313 PolarHBondContact O-N 3.38Å
312K28.8Very low29.6Very low199 Ų199145.6 Ų145.687%0.86581%0.808SS**  trans-73.6108.1-173.3-68-176.8-179.1-174.90109.8
313C26.7Very low31.7Very low126 Ų126141.7 Ų141.785%0.85179%0.792SS**  trans-129.460.6153.4-78.70000107.9N311N311-C313 PolarHBondContact O-N 3.38Å
314S26.3Very low33.9Very low108 Ų108143.8 Ų143.876%0.75579%0.791SS**  trans-145.693.2171.6-56.90000108.8
315N31.4Very low36.4Very low165 Ų165140.3 Ų140.388%0.88278%0.781SS**SBend-145.9130.3129.3-91.3-10000105.6G317N315-G317 PolarHBondContact O-N 2.73Å
316G29.3Very low38.8Very low90 Ų90136 Ų13693%0.92876%0.759SS**  trans-64.268.7-170.400000114.7Q318G316-Q318 PolarHBondContact O-N 3.48Å
317G25Very low41.1Very low68 Ų68136 Ų13670%0.70175%0.745SS**  trans-64.3116.6163.100000107.8N315 Q319N315-G317 PolarHBondContact O-N 2.73Å; G317-Q319 PolarHBondContact O-N 3.46Å
318Q30.9Very low43.7Very low183 Ų183131.2 Ų131.286%0.85572%0.719SS**  trans-33.6130.2163.4-74168-60.800108.8G316 P320G316-Q318 PolarHBondContact O-N 3.48Å; Q318-P320 VanDerWaalsContact O-N 3.13Å
319Q37.2Very low45.9Very low170 Ų170125.7 Ų125.779%0.79470%0.701SS**  trans-45.6130.8161.7-84.4-150.1-2400106.5G317 K321G317-Q319 PolarHBondContact O-N 3.46Å; Q319-K321 PolarHBondContact O-N 3.04Å
320P38.8Very low48.3Very low109 Ų109115.9 Ų115.971%0.70867%0.674SS**  trans-60.1101.6171.325-29.4000104.2Q318 Q322Q318-P320 VanDerWaalsContact O-N 3.13Å; P320-Q322 HydrophobicContact CB-CG 4.44Å; P320-Q322 PolarHBondContact O-N 3.21Å
321K45.2Very low50.6Low196 Ų196115.2 Ų115.285%0.85265%0.652SS**  trans-62.281159-74-177.9177-1790102.8Q319 S323Q319-K321 PolarHBondContact O-N 3.04Å; K321-S323 PolarHBondContact O-N 2.93Å
322Q50.7Low52.8Low146 Ų146112.2 Ų112.268%0.68263%0.629SS**  trans-60.389.7158.2-72.5-163.7-32.600102.7P320P320-Q322 HydrophobicContact CB-CG 4.44Å; P320-Q322 PolarHBondContact O-N 3.21Å
323S67.9Low54.9Low63 Ų63110.4 Ų110.444%0.44162%0.623SS.*  trans-53.1148.3179.462.50000106.8K321 N325 A326K321-S323 PolarHBondContact O-N 2.93Å; S323-N325 PolarHBondContact O-N 2.89Å; S323-A326 WeakPolarHBondContact O-CB 3.43Å; S323-A326 PolarHBondContact O-N 2.83Å
324L76.3Confident57Low131 Ų131111.5 Ų111.569%0.68662%0.62SS**Hα-helixtrans-44.5-33.8174.1-163.292.7000111.5A326 I327 I328L324-A326 PolarHBondContact O-N 3.48Å; L324-I327 PolarHBondContact O-N 3.29Å; L324-I328 HydrophobicContact CD2-CD1 3.89Å; L324-I328 HydrophobicContact CG-CD1 4.14Å; L324-I328 WeakPolarHBondContact O-CG1 3.12Å; L324-I328 PolarHBondContact O-N 2.9Å
325N75.1Confident59.2Low111 Ų111112.2 Ų112.259%0.59461%0.611SS**Hα-helixtrans-57.5-37.5173.6-74.7-6.6000114.7S323 I327 I328 E329S323-N325 PolarHBondContact O-N 2.89Å; N325-I327 VanDerWaalsContact C-N 3.34Å; N325-I328 PolarHBondContact O-N 3.34Å; N325-E329 WeakPolarHBondContact O-CB 3.28Å; N325-E329 PolarHBondContact O-N 2.86Å
326A73.7Confident60.6Low39 Ų39105.9 Ų105.932%0.32258%0.584SS.*Hα-helixtrans-68.6-34.9177.200000111.9S323 L324 A330S323-A326 WeakPolarHBondContact O-CB 3.43Å; S323-A326 PolarHBondContact O-N 2.83Å; L324-A326 PolarHBondContact O-N 3.48Å; A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 3.17Å
327I76.3Confident62.4Low89 Ų89107.8 Ų107.846%0.45657%0.569SS.*Hα-helixtrans-68.8-44.8173.9-60173.1000109.4L324 N325 E329 A330 I331L324-I327 PolarHBondContact O-N 3.29Å; N325-I327 VanDerWaalsContact C-N 3.34Å; I327-E329 PolarHBondContact O-N 3.45Å; I327-A330 PolarHBondContact O-N 3.02Å; I327-I331 HydrophobicContact CG2-CD1 3.93Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 3.22Å
328I75.6Confident64Low45 Ų45110.7 Ų110.723%0.23157%0.565CS.*Hα-helixtrans-60.2-43.7176.5-69.3166.3000111.1L324 N325 I331 R332 F340L324-I328 HydrophobicContact CD2-CD1 3.89Å; L324-I328 HydrophobicContact CG-CD1 4.14Å; L324-I328 WeakPolarHBondContact O-CG1 3.12Å; L324-I328 PolarHBondContact O-N 2.9Å; N325-I328 PolarHBondContact O-N 3.34Å; I328-I331 PolarHBondContact O-N 3.23Å; I328-R332 VanDerWaalsContact O-CB 3.31Å; I328-R332 WeakPolarHBondContact O-CB 3.48Å; I328-R332 PolarHBondContact O-N 2.92Å; I328-F340 HydrophobicContact CG2-CD1 4.39Å; I328-F340 HydrophobicContact CG2-CE1 3.72Å; I328-F340 HydrophobicContact CG2-CZ 4.07Å
329E73.1Confident65.4Low112 Ų112107.6 Ų107.652%0.52355%0.553SS.*Hα-helixtrans-63.5-41.3174.7-101.1-174.1145.600112.4N325 I327 R332 Q333N325-E329 WeakPolarHBondContact O-CB 3.28Å; N325-E329 PolarHBondContact O-N 2.86Å; I327-E329 PolarHBondContact O-N 3.45Å; E329-R332 PolarHBondContact O-N 3.01Å; E329-Q333 WeakPolarHBondContact O-CG 3.25Å; E329-Q333 PolarHBondContact O-N 3.39Å
330A72.9Confident66.5Low46 Ų46103.4 Ų103.438%0.3853%0.532SS..Hα-helixtrans-63.2-42.8177.600000111.7A326 I327 Q333 L334A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 3.17Å; I327-A330 PolarHBondContact O-N 3.02Å; A330-Q333 PolarHBondContact O-N 3.5Å; A330-L334 WeakPolarHBondContact O-CG 3.32Å; A330-L334 PolarHBondContact O-N 3.32Å; A330-L334 VanDerWaalsContact O-N 3.12Å
331I73.4Confident67.3Low62 Ų62101.7 Ų101.732%0.31852%0.52SS..Hα-helixtrans-63.7-44.9174.7-65.8168.6000110.1I327 I328 Q333 L334 E335 F340I327-I331 HydrophobicContact CG2-CD1 3.93Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 3.22Å; I328-I331 PolarHBondContact O-N 3.23Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.97Å; I331-L334 PolarHBondContact O-N 3.14Å; I331-L334 VanDerWaalsContact O-N 3.1Å; I331-E335 HydrophobicContact CG2-CG 4.48Å; I331-E335 VanDerWaalsContact CG2-OE2 3.27Å; I331-E335 WeakPolarHBondContact CG2-OE2 3.43Å; I331-E335 PolarHBondContact O-N 3.3Å; I331-F340 HydrophobicContact CB-CE2 4.5Å; I331-F340 HydrophobicContact CB-CZ 4.07Å; I331-F340 HydrophobicContact CG2-CE2 4Å; I331-F340 HydrophobicContact CG2-CZ 3.74Å
332R74.6Confident67.7Low99 Ų9998.4 Ų98.437%0.37451%0.512SS..Hα-helixtrans-59-37.7177.5-165.7-175.6-52.2176.85.1113.1I328 E329 G336 E337 F340I328-R332 VanDerWaalsContact O-CB 3.31Å; I328-R332 WeakPolarHBondContact O-CB 3.48Å; I328-R332 PolarHBondContact O-N 2.92Å; E329-R332 PolarHBondContact O-N 3.01Å; R332-G336 CarbonylContact O-C 3.54Å; R332-G336 WeakPolarHBondContact O-CA 3.09Å; R332-G336 PolarHBondContact O-N 3.41Å; R332-E337 HydrophobicContact CG-CG 3.94Å; R332-F340 HydrophobicContact CB-CD2 4.13Å; R332-F340 HydrophobicContact CB-CE2 3.69Å; R332-F340 HydrophobicContact CB-CZ 4.39Å; R332-F340 HydrophobicContact CG-CD2 4.03Å; R332-F340 HydrophobicContact CG-CE2 4.12Å
333Q72.3Confident67.8Low161 Ų16195.8 Ų95.875%0.75251%0.51SS*.Hα-helixtrans-72.6-31.7176.2-72.7179.91200113.1E329 A330 I331E329-Q333 WeakPolarHBondContact O-CG 3.25Å; E329-Q333 PolarHBondContact O-N 3.39Å; A330-Q333 PolarHBondContact O-N 3.5Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.97Å
334L71.3Confident67Low149 Ų14999.2 Ų99.278%0.7852%0.519SS*.Hα-helixtrans-84.9-42.7-177.4-73.1170.9000113.2A330 I331A330-L334 WeakPolarHBondContact O-CG 3.32Å; A330-L334 PolarHBondContact O-N 3.32Å; A330-L334 VanDerWaalsContact O-N 3.12Å; I331-L334 PolarHBondContact O-N 3.14Å; I331-L334 VanDerWaalsContact O-N 3.1Å
335E73.1Confident65.7Low123 Ų12397 Ų9758%0.57551%0.513SS*.Hα-helixtrans-106.5-4-169.5-59.6-176154.300112.7I331 L339I331-E335 HydrophobicContact CG2-CG 4.48Å; I331-E335 VanDerWaalsContact CG2-OE2 3.27Å; I331-E335 WeakPolarHBondContact CG2-OE2 3.43Å; I331-E335 PolarHBondContact O-N 3.3Å; E335-L339 HydrophobicContact CB-CD1 3.57Å; E335-L339 HydrophobicContact CG-CD1 4.22Å; E335-L339 WeakPolarHBondContact OE2-CD1 3.43Å
336G59.4Low64.2Low31 Ų3198.8 Ų98.832%0.3251%0.511SS..  trans79.4165.3-176.700000113R332 E338R332-G336 CarbonylContact O-C 3.54Å; R332-G336 WeakPolarHBondContact O-CA 3.09Å; R332-G336 PolarHBondContact O-N 3.41Å; G336-E338 PolarHBondContact O-N 3.31Å; G336-E338 VanDerWaalsContact O-N 3.13Å
337E66.9Low63Low130 Ų130104.5 Ų104.561%0.60753%0.525SS*.G310 helixtrans-67.5-11-178.2-64.5-166.215500113.5R332 L339 F340 V341R332-E337 HydrophobicContact CG-CG 3.94Å; E337-L339 PolarHBondContact O-N 3.01Å; E337-F340 PolarHBondContact O-N 3.47Å; E337-V341 PolarHBondContact O-N 3.49Å
338E59.3Low61.6Low130 Ų130104.2 Ų104.261%0.60753%0.527SS*.G310 helixtrans-63.3-26.1-172.9-62.3-156.4-161.700114.3G336 F340 R346G336-E338 PolarHBondContact O-N 3.31Å; G336-E338 VanDerWaalsContact O-N 3.13Å; E338-F340 VanDerWaalsContact C-N 3.33Å; E338-R346 IonicContact OE1-NH2 2.8Å; E338-R346 IonicContact OE2-CZ 3.9Å; E338-R346 IonicContact OE2-NH1 3.63Å; E338-R346 IonicContact OE2-NH2 3.67Å; E338-R346 PolarHBondContact OE2-NH2 3.34Å
339L59.8Low60.1Low117 Ų117105.5 Ų105.561%0.61355%0.545SS*.G310 helixtrans-78.8-17.1175.3-69.9173000113.6E335 E337E335-L339 HydrophobicContact CB-CD1 3.57Å; E335-L339 HydrophobicContact CG-CD1 4.22Å; E335-L339 WeakPolarHBondContact OE2-CD1 3.43Å; E337-L339 PolarHBondContact O-N 3.01Å
340F62.1Low58.7Low82 Ų82108.3 Ų108.336%0.3656%0.555SS.*THydrogen-bonded Turntrans-102.9-6.4-179.8-60.6-80.7000112.9I328 I331 R332 E337 E338 D342I328-F340 HydrophobicContact CG2-CD1 4.39Å; I328-F340 HydrophobicContact CG2-CE1 3.72Å; I328-F340 HydrophobicContact CG2-CZ 4.07Å; I331-F340 HydrophobicContact CB-CE2 4.5Å; I331-F340 HydrophobicContact CB-CZ 4.07Å; I331-F340 HydrophobicContact CG2-CE2 4Å; I331-F340 HydrophobicContact CG2-CZ 3.74Å; R332-F340 HydrophobicContact CB-CD2 4.13Å; R332-F340 HydrophobicContact CB-CE2 3.69Å; R332-F340 HydrophobicContact CB-CZ 4.39Å; R332-F340 HydrophobicContact CG-CD2 4.03Å; R332-F340 HydrophobicContact CG-CE2 4.12Å; E337-F340 PolarHBondContact O-N 3.47Å; E338-F340 VanDerWaalsContact C-N 3.33Å; F340-D342 PolarHBondContact O-N 2.87Å
341V54.3Low57.1Low73 Ų73115.4 Ų115.444%0.44257%0.572SS.*SBendtrans-82.7108.2170.5-179.10000107.7E337 S343E337-V341 PolarHBondContact O-N 3.49Å; V341-S343 PolarHBondContact O-N 3.17Å; V341-S343 VanDerWaalsContact O-N 3.1Å
342D54.1Low55.3Low127 Ų127118.5 Ų118.568%0.67959%0.589SS**  trans-46.5120.9174.3-71.7-36.4000110.1F340 E344 C345F340-D342 PolarHBondContact O-N 2.87Å; D342-E344 PolarHBondContact O-N 3.34Å; D342-C345 PolarHBondContact O-N 2.88Å
343S53.4Low53.7Low92 Ų92121.7 Ų121.764%0.64361%0.609SS**Hα-helixtrans-61.9-9.4-176.140.10000113.4V341V341-S343 PolarHBondContact O-N 3.17Å; V341-S343 VanDerWaalsContact O-N 3.1Å
344E50.2Low52.1Low134 Ų134124.9 Ų124.963%0.62661%0.614SS**Hα-helixtrans-72.6-34.3169.9-79.9170172.200113.4D342 R346 R347 T348D342-E344 PolarHBondContact O-N 3.34Å; E344-R346 PolarHBondContact O-N 3.49Å; E344-R347 PolarHBondContact O-N 3.01Å; E344-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 IonicContact OE1-NH2 3.93Å; E344-T348 PolarHBondContact O-N 2.95Å
345C48.3Very low50.6Low84 Ų84125.8 Ų125.857%0.56861%0.614SS**Hα-helixtrans-72-29.7179.5-1560000112.3D342 R347 T348 A349D342-C345 PolarHBondContact O-N 2.88Å; C345-R347 VanDerWaalsContact C-N 3.29Å; C345-R347 PolarHBondContact O-N 3.47Å; C345-T348 PolarHBondContact O-OG1 2.97Å; C345-A349 PolarHBondContact O-N 2.82Å
346R43.7Very low48.5Very low149 Ų149123 Ų12356%0.56262%0.619SS**Hα-helixtrans-68-26.1170.5-86.6-171.3176.5174.61.8112.8E338 E344E338-R346 IonicContact OE1-NH2 2.8Å; E338-R346 IonicContact OE2-CZ 3.9Å; E338-R346 IonicContact OE2-NH1 3.63Å; E338-R346 IonicContact OE2-NH2 3.67Å; E338-R346 PolarHBondContact OE2-NH2 3.34Å; E344-R346 PolarHBondContact O-N 3.49Å
347R48.5Very low46.9Very low160 Ų160125.1 Ų125.160%0.60464%0.64SS**Hα-helixtrans-77.1-41179.7-83.2-172.7-79.6158.7-3.2112.1E344 C345 W351E344-R347 PolarHBondContact O-N 3.01Å; E344-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 IonicContact OE1-NH2 3.93Å; C345-R347 VanDerWaalsContact C-N 3.29Å; C345-R347 PolarHBondContact O-N 3.47Å; R347-W351 VanDerWaalsContact O-CB 3.27Å; R347-W351 WeakPolarHBondContact O-CB 3.5Å; R347-W351 PolarHBondContact O-N 2.89Å
348T46.5Very low45.2Very low83 Ų83127.7 Ų127.751%0.50965%0.652SS.*Hα-helixtrans-68.4-40.117744.50000112.3E344 C345 K350 W351 D352E344-T348 PolarHBondContact O-N 2.95Å; C345-T348 PolarHBondContact O-OG1 2.97Å; T348-K350 VanDerWaalsContact C-N 3.31Å; T348-K350 PolarHBondContact O-N 3.27Å; T348-W351 PolarHBondContact O-N 3.38Å; T348-D352 PolarHBondContact O-N 2.96Å; T348-D352 VanDerWaalsContact O-N 3.17Å
349A45.2Very low43.8Very low72 Ų72128.3 Ų128.360%0.59567%0.665SS**Hα-helixtrans-63.8-31.4178.700000114C345C345-A349 PolarHBondContact O-N 2.82Å
350K43.4Very low42.5Very low171 Ų171127 Ų12774%0.74367%0.67SS**Hα-helixtrans-87.3-23.3175.4-101-176.1177.2178.30113.8T348T348-K350 VanDerWaalsContact C-N 3.31Å; T348-K350 PolarHBondContact O-N 3.27Å
351W38.8Very low40.8Very low194 Ų194129.1 Ų129.174%0.73569%0.693SS**Hα-helixtrans-76.7-38.9-179.6-165-99.6000111.8R347 T348 Q353 R354R347-W351 VanDerWaalsContact O-CB 3.27Å; R347-W351 WeakPolarHBondContact O-CB 3.5Å; R347-W351 PolarHBondContact O-N 2.89Å; T348-W351 PolarHBondContact O-N 3.38Å; W351-Q353 VanDerWaalsContact C-N 3.26Å; W351-Q353 PolarHBondContact O-N 2.98Å; W351-R354 PolarHBondContact O-N 3.25Å
352D37Very low39.7Very low128 Ų128132.3 Ų132.368%0.68471%0.712SS**G310 helixtrans-70.3-18.5-179.7-79.3-25.4000114.1T348 R354T348-D352 PolarHBondContact O-N 2.96Å; T348-D352 VanDerWaalsContact O-N 3.17Å; D352-R354 VanDerWaalsContact C-N 3.29Å; D352-R354 PolarHBondContact O-N 2.76Å
353Q39.7Very low38.5Very low166 Ų166131.7 Ų131.778%0.77672%0.717SS**G310 helixtrans-79.8-6.3178.7-15716632.600114W351W351-Q353 VanDerWaalsContact C-N 3.26Å; W351-Q353 PolarHBondContact O-N 2.98Å
354R39Very low37.3Very low227 Ų227130.9 Ų130.986%0.85771%0.712SS**G310 helixtrans-106.9-0.8-176.9-75-171.3175.9-111.10.3115.7W351 D352W351-R354 PolarHBondContact O-N 3.25Å; D352-R354 VanDerWaalsContact C-N 3.29Å; D352-R354 PolarHBondContact O-N 2.76Å
355Q41.2Very low36.4Very low169 Ų169130.7 Ų130.779%0.7972%0.723SS**SBendtrans-116.92.9178.5-71.7-86.79.400114
356G27.7Very low35.2Very low65 Ų65134.7 Ų134.767%0.6773%0.731SS**SBendtrans-93.5112.4168.100000110.6
357G26.7Very low34.3Very low74 Ų74133.7 Ų133.776%0.76374%0.736SS**  trans-75.2-164.9-169.400000117.6
358E30.4Very low33.4Very low185 Ų185131.1 Ų131.186%0.86474%0.743SS**  trans90.586.2170.1-59.3-172.9150.300117.8
359T30.7Very low32.5Very low142 Ų142133.5 Ų133.587%0.87175%0.748SS**  trans18.5107.9130.849.30000118.6
360A30.9Very low31.6Very low89 Ų89136.8 Ų136.874%0.73675%0.751SS**  trans-137.8129.4141.700000108.7
361P28.1Very low30.7Very low128 Ų128135.6 Ų135.683%0.83175%0.753SS**  trans-78.9131.9-159.730.8-33.7000112.1S363P361-S363 PolarHBondContact O-N 3.1Å; P361-S363 VanDerWaalsContact O-N 3.15Å
362V30.7Very low30.2Very low139 Ų139129.6 Ų129.684%0.84275%0.751SS**  trans-71.1104.7165.1-179.70000107.4S364V362-S364 PolarHBondContact O-N 2.8Å
363S29.2Very low29.6Very low114 Ų114129.2 Ų129.280%0.79776%0.758SS**  trans-59.8101.3168.138.50000110.1P361P361-S363 PolarHBondContact O-N 3.1Å; P361-S363 VanDerWaalsContact O-N 3.15Å
364S27.6Very low28.9Very low76 Ų76124.8 Ų124.853%0.53176%0.757SS.*  trans-76.5132.3158.2159.20000109.4V362 F366V362-S364 PolarHBondContact O-N 2.8Å; S364-F366 VanDerWaalsContact C-N 3.33Å; S364-F366 PolarHBondContact O-N 2.67Å; S364-F366 VanDerWaalsContact O-N 3.12Å; S364-F366 PolarHBondContact OG-N 2.85Å
365P30.4Very low28.6Very low130 Ų130120.9 Ų120.984%0.84476%0.758SS**  trans-74.493.7156.73.713.5000108
366F24.1Very low27.8Very low168 Ų168119.3 Ų119.374%0.73776%0.76SS**  trans-59.3130.2164.4-112.2-111.8000110.5S364S364-F366 VanDerWaalsContact C-N 3.33Å; S364-F366 PolarHBondContact O-N 2.67Å; S364-F366 VanDerWaalsContact O-N 3.12Å; S364-F366 PolarHBondContact OG-N 2.85Å
367N24.2Very low27.8Very low128 Ų128119.6 Ų119.668%0.68476%0.764SS**  57.2116.1111.7-147.48.8000119
368S30.9Very low27.7Very low105 Ų105121.5 Ų121.573%0.73477%0.765SS**  trans-154.5100143.4-128.60000107.3
369Q26.7Very low27.7Very low133 Ų133118.9 Ų118.962%0.62176%0.762SS**  79.5117.396.1-87.4-161.4-31.700115.6
370Q25.4Very low27.5Very low142 Ų142117.9 Ų117.966%0.66476%0.755SS**  trans75.6145.7130.8-70.2-176.2-11.200117.1
371N26.2Very low27.2Very low146 Ų146118.6 Ų118.678%0.78176%0.755SS**  cis-170.4158.86.3-109.1-22.2000105.8
372G26.7Very low27.4Very low67 Ų67118.5 Ų118.569%0.69175%0.752SS**  trans140.674.2164.500000112.5
373S25.5Very low27.2Very low120 Ų120119.8 Ų119.884%0.83975%0.749SS**  68104.797.280.90000112.8
374G23.7Very low27.3Very low73 Ų73123 Ų12375%0.75375%0.751SS**  94.1118.5105.400000108.9
375V32.7Very low27.3Very low145 Ų145127.3 Ų127.388%0.87976%0.763SS**  -153.2134.191.2163.10000110.4
376T25.8Very low27.3Very low136 Ų136129.7 Ų129.783%0.83476%0.76SS**  trans-65.3152.1170.445.60000115.1
377G26.3Very low27.5Very low72 Ų72127.4 Ų127.474%0.74276%0.76SS**  trans141.789.8155.900000112.3
378S25.4Very low27.8Very low114 Ų114130 Ų13080%0.79777%0.768SS**  83.4135.467.3-167.20000113.7
379V31.2Very low28Very low130 Ų130133.7 Ų133.779%0.78877%0.771SS**  trans85.5127.5166.8-165.70000115.1
380V25.3Very low28.2Very low120 Ų120132.8 Ų132.873%0.72778%0.779SS**  cis172.2138.9-19.8134.80000104.4
381S25.9Very low28.5Very low105 Ų105132.3 Ų132.373%0.73479%0.785SS**  trans57.4139.5159.8-69.20000119.5
382T30.8Very low28.7Very low126 Ų126130.4 Ų130.477%0.77378%0.781SS**  cis-157.1150.742.7-26.30000110.7E384T382-E384 PolarHBondContact O-N 2.9Å
383E27.7Very low29Very low165 Ų165137.2 Ų137.277%0.77179%0.792SS**  trans-45.7122.8174.3-70.2159.7113.900114.3
384E31.5Very low29.3Very low181 Ų181138.6 Ų138.685%0.84679%0.788SS**  trans-128.892.1138.2-73.7-166.8161.200107.5T382 F386T382-E384 PolarHBondContact O-N 2.9Å; E384-F386 PolarHBondContact O-N 3.44Å
385Q27.3Very low29.5Very low168 Ų168137.6 Ų137.679%0.78578%0.778SS**  trans-61.588.8162.6-81-178.1-6.600108.6
386F29.3Very low29.7Very low180 Ų180138.8 Ų138.879%0.78977%0.772SS**  trans-94.6100.7157.8-114.8-91.4000108.9E384 Q388E384-F386 PolarHBondContact O-N 3.44Å; F386-Q388 PolarHBondContact O-N 3.45Å
387V29.3Very low30.3Very low119 Ų119139.5 Ų139.572%0.72177%0.77SS**  trans-59.782.6169-179.80000108.5K389V387-K389 VanDerWaalsContact C-N 3.33Å; V387-K389 PolarHBondContact O-N 2.81Å; V387-K389 VanDerWaalsContact O-N 3.14Å
388Q30.9Very low30.4Very low182 Ų182143.6 Ų143.685%0.8578%0.775SS**  trans-83.190.4165.1-100.4-177.77.800108.8F386 S390F386-Q388 PolarHBondContact O-N 3.45Å; Q388-S390 PolarHBondContact O-N 3.36Å
389K34.2Very low30.8Very low184 Ų184148.1 Ų148.180%0.878%0.776SS**  trans-15.5115.8159.9-67.7171178.1175.80112.3V387 V391V387-K389 VanDerWaalsContact C-N 3.33Å; V387-K389 PolarHBondContact O-N 2.81Å; V387-K389 VanDerWaalsContact O-N 3.14Å; K389-V391 PolarHBondContact O-N 3.4Å
390S32Very low30.8Very low114 Ų114145 Ų14580%0.79777%0.77SS**  trans-39.5119164.350.90000111.3Q388Q388-S390 PolarHBondContact O-N 3.36Å
391V30.1Very low31.2Very low131 Ų131145 Ų14579%0.79477%0.77SS**  trans-52.4131.8162.2177.40000107.6K389 K393K389-V391 PolarHBondContact O-N 3.4Å; V391-K393 PolarHBondContact O-N 2.69Å
392P30.3Very low31.4Very low106 Ų106146.4 Ų146.469%0.68878%0.779SS**  trans-62117-176.8-14.426.3000109.2I394P392-I394 VanDerWaalsContact C-N 3.32Å; P392-I394 PolarHBondContact O-N 2.99Å
393K33.4Very low31.5Very low210 Ų210147.8 Ų147.891%0.91378%0.776SS**  trans-58.6104.7154.1-103.5174.8175.1174.70105.5V391 G395V391-K393 PolarHBondContact O-N 2.69Å; K393-G395 PolarHBondContact O-N 2.94Å
394I32.3Very low31.8Very low149 Ų149146 Ų14676%0.76478%0.777SS**  trans-66.389.2167-62165.8000105.3P392P392-I394 VanDerWaalsContact C-N 3.32Å; P392-I394 PolarHBondContact O-N 2.99Å
395G28.3Very low31.9Very low53 Ų53146 Ų14655%0.54678%0.777SS.*  trans-69.9130169.300000108.7K393 D397K393-G395 PolarHBondContact O-N 2.94Å; G395-D397 PolarHBondContact O-N 2.74Å
396F36.5Very low32Very low170 Ų170146.5 Ų146.575%0.74678%0.779SS**SBendtrans-77.936.4-178.9-89.9-88.8000113.1
397D37.6Very low32.2Very low150 Ų150148.3 Ų148.380%0.80278%0.78SS**  trans-106.136.3-172.1-62.2-39.4000113.4G395G395-D397 PolarHBondContact O-N 2.74Å
398N30.1Very low32.2Very low158 Ų158150.9 Ų150.985%0.84578%0.784SS**  trans-133.353.7170.7-97.1-22.6000111.7G400N398-G400 VanDerWaalsContact C-N 3.27Å; N398-G400 PolarHBondContact O-N 2.72Å
399Y33.2Very low32.4Very low210 Ų210150.1 Ų150.182%0.82478%0.783SS**  trans-91.672.4150.2-76.1-83.4000107.7T401Y399-T401 PolarHBondContact O-N 2.85Å
400G31.1Very low32.2Very low63 Ų63147.1 Ų147.165%0.64978%0.78SS**  trans-69.3114.4168.300000108.9N398N398-G400 VanDerWaalsContact C-N 3.27Å; N398-G400 PolarHBondContact O-N 2.72Å
401T33.7Very low32.2Very low120 Ų120147.6 Ų147.674%0.73678%0.778SS**  trans-34.3132.616631.60000113.2Y399 E403Y399-T401 PolarHBondContact O-N 2.85Å; T401-E403 PolarHBondContact O-N 2.87Å
402C30.7Very low32.3Very low136 Ų136147.2 Ų147.292%0.91978%0.776SS**  trans-66.375.4167.8-63.50000110.1T404C402-T404 PolarHBondContact O-N 2.81Å
403E31.5Very low32.2Very low154 Ų154147.3 Ų147.372%0.7278%0.779SS**  trans-76.2115.6161.4-87.3-177.9154.100108.3T401 H405T401-E403 PolarHBondContact O-N 2.87Å; E403-H405 PolarHBondContact O-N 3.03Å
404T35Very low32.5Very low129 Ų129145.9 Ų145.979%0.79180%0.795SS**  trans-54.896.2174.37.70000110.2C402 H406C402-T404 PolarHBondContact O-N 2.81Å; T404-H406 PolarHBondContact O-N 2.83Å
405H32Very low32.5Very low181 Ų181145.7 Ų145.784%0.83880%0.797SS**  trans-70.383.7166.3-79.4-71.9000109.8E403 R407E403-H405 PolarHBondContact O-N 3.03Å; H405-R407 VanDerWaalsContact C-N 3.33Å; H405-R407 PolarHBondContact O-N 3.12Å
406H29.8Very low32.7Very low177 Ų177150.6 Ų150.682%0.81981%0.81SS**  trans-60.297.2155.4-98.6-79.2000108T404 E408T404-H406 PolarHBondContact O-N 2.83Å; H406-E408 PolarHBondContact O-N 3.02Å
407R33.9Very low32.5Very low218 Ų218149.5 Ų149.582%0.82381%0.814SS**  trans-88.191.7171.1-146.2179.2-166.4-170.63.9107.7H405 M409H405-R407 VanDerWaalsContact C-N 3.33Å; H405-R407 PolarHBondContact O-N 3.12Å; R407-M409 PolarHBondContact O-N 3.18Å; R407-M409 VanDerWaalsContact O-N 3.15Å
408E30.3Very low32.2Very low173 Ų173149.5 Ų149.581%0.80881%0.814SS**  trans-57.7111.6161-76.2-178.5148.600108H406 T410H406-E408 PolarHBondContact O-N 3.02Å; E408-T410 PolarHBondContact O-N 3.08Å
409M34.1Very low32.4Very low167 Ų167148.9 Ų148.982%0.82381%0.812SS**  trans-85.2100.8162.5-78.6-163.4-156.800107.9R407 V411R407-M409 PolarHBondContact O-N 3.18Å; R407-M409 VanDerWaalsContact O-N 3.15Å; M409-V411 PolarHBondContact O-N 3.3Å
410T31.2Very low32.3Very low121 Ų121144.9 Ų144.974%0.74281%0.812SS**  trans-61120.7168.3-41.10000109.5E408 V412E408-T410 PolarHBondContact O-N 3.08Å; T410-V412 PolarHBondContact O-N 3.49Å
411V31.2Very low32.4Very low123 Ų123150.7 Ų150.775%0.74582%0.823SS**  trans-68.6110170.2179.80000107.9M409 S413M409-V411 PolarHBondContact O-N 3.3Å; V411-S413 PolarHBondContact O-N 3.48Å
412V32.5Very low32.3Very low124 Ų124153.1 Ų153.175%0.75283%0.83SS**  trans-82.7103.7169.4179.90000107.6T410T410-V412 PolarHBondContact O-N 3.49Å
413S27.1Very low32.4Very low108 Ų108154.5 Ų154.576%0.75582%0.822SS**  trans-83.8112.6164.5-58.70000109.4V411V411-S413 PolarHBondContact O-N 3.48Å
414S40.4Very low32.5Very low179 Ų179154.5 Ų154.5100%1.25283%0.832SS**  trans-165.70151.456.70000109.6

Retrieved 414 of 414 residues in 244.5 ms (Link to these results)