A0A077ZNG0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZNG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M40.7Very low46.1Very low249 Ų249129.6 Ų129.6100%1.22779%0.792SS**  01040-71.5-174.9-179.700108.6
2A43.5Very low47.1Very low92 Ų92129.7 Ų129.776%0.7678%0.784SS**  trans-165.810115800000104.8S4A2-S4 PolarHBondContact O-N 2.82Å; A2-S4 VanDerWaalsContact O-N 3.09Å
3A44.3Very low48.5Very low99 Ų99129.7 Ų129.782%0.81878%0.777SS**  trans-64110.5178.600000108Q5A3-Q5 VanDerWaalsContact C-N 3.33Å; A3-Q5 PolarHBondContact O-N 3.01Å
4S47.2Very low50.3Low117 Ų117125.5 Ų125.582%0.81875%0.748SS**  trans-62.195.5170.3-56.60000108.1A2 S6A2-S4 PolarHBondContact O-N 2.82Å; A2-S4 VanDerWaalsContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 2.93Å
5Q46.5Very low52.6Low174 Ų174121.2 Ų121.281%0.81373%0.726SS**  trans-63.6106.1163.4-72.8-178.45.400106.1A3 T7A3-Q5 VanDerWaalsContact C-N 3.33Å; A3-Q5 PolarHBondContact O-N 3.01Å; Q5-T7 PolarHBondContact O-N 3.45Å
6S48.3Very low54.8Low115 Ų115120.3 Ų120.380%0.80472%0.716SS**  trans-57.994.7162.2-78.80000106.6S4 E8S4-S6 PolarHBondContact O-N 2.93Å; S6-E8 PolarHBondContact O-N 3.45Å
7T46.3Very low56.8Low115 Ų115118.7 Ų118.771%0.70670%0.703SS**  trans-68.382.9154.848.60000105.4Q5 T9Q5-T7 PolarHBondContact O-N 3.45Å; T7-T9 PolarHBondContact O-N 2.95Å
8E42.2Very low58.7Low169 Ų169116.4 Ų116.479%0.7968%0.684SS**  trans-56.281.9156.3-158.7171.2-15300105.2S6 V10S6-E8 PolarHBondContact O-N 3.45Å; E8-V10 HydrophobicContact CG-CG2 4.29Å; E8-V10 PolarHBondContact O-N 3.33Å
9T49.1Very low59.8Low121 Ų121116.3 Ų116.374%0.74267%0.671SS**  trans-65.887.416437.60000104.3T7 A11T7-T9 PolarHBondContact O-N 2.95Å; T9-A11 PolarHBondContact O-N 3.19Å
10V46.1Very low61.3Low98 Ų98116.6 Ų116.659%0.59466%0.66SS**  trans-58.780.9164.1-177.90000105.4E8 N12E8-V10 HydrophobicContact CG-CG2 4.29Å; E8-V10 PolarHBondContact O-N 3.33Å; V10-N12 PolarHBondContact O-N 3.18Å
11A53.1Low62.7Low77 Ų77116.2 Ų116.264%0.63665%0.649SS**  trans-59.694.4160.200000103.1T9 D13T9-A11 PolarHBondContact O-N 3.19Å; A11-D13 PolarHBondContact O-N 3.02Å
12N57.7Low64.9Low130 Ų130107.4 Ų107.470%0.69560%0.604SS**  trans-57.286.9173.7-80.8-40.6000106.8V10 L14V10-N12 PolarHBondContact O-N 3.18Å; N12-L14 PolarHBondContact O-N 3.03Å
13D65.2Low67Low130 Ų130110.9 Ų110.970%0.69560%0.598SS**  trans-67.790.8173.8-103.3-33.7000105.9A11 S15 R19A11-D13 PolarHBondContact O-N 3.02Å; D13-S15 PolarHBondContact O-N 3.39Å; D13-S15 VanDerWaalsContact O-N 3.16Å; D13-R19 IonicContact OD1-NH2 3.84Å; D13-R19 PolarHBondContact OD1-NH2 3.46Å
14L74.7Confident69.3Low71 Ų71114 Ų11437%0.37259%0.588SS.*  trans-49.7127.7173-64.6173.7000107.3N12 E18 R19N12-L14 PolarHBondContact O-N 3.03Å; L14-E18 HydrophobicContact CB-CB 4.14Å; L14-E18 HydrophobicContact CB-CG 4.23Å; L14-E18 HydrophobicContact CD2-CG 3.79Å; L14-E18 WeakPolarHBondContact CD2-OE2 3.43Å; L14-E18 HydrophobicContact CG-CG 4.43Å; L14-R19 HydrophobicContact CB-CG 3.75Å; L14-R19 PolarHBondContact O-NE 3.3Å
15S83.6Confident71.3Confident61 Ų61115.2 Ų115.243%0.42758%0.575SS.*  trans-50.9151.7173.366.80000109.9D13 D17 E18 R19D13-S15 PolarHBondContact O-N 3.39Å; D13-S15 VanDerWaalsContact O-N 3.16Å; S15-D17 PolarHBondContact O-N 3.37Å; S15-D17 VanDerWaalsContact O-N 3.1Å; S15-E18 WeakPolarHBondContact O-CA 3.48Å; S15-E18 WeakPolarHBondContact O-CB 3.42Å; S15-E18 PolarHBondContact O-N 3.23Å; S15-E18 VanDerWaalsContact OG-CB 3.3Å; S15-E18 WeakPolarHBondContact OG-CB 2.97Å; S15-E18 PolarHBondContact OG-N 3.38Å; S15-R19 PolarHBondContact O-N 3.21Å
16L87.7Confident73.4Confident107 Ų107111.9 Ų111.956%0.5656%0.562SS**Hα-helixtrans-53.1-36.8-178.6179129.9000112.4R20L16-R20 VanDerWaalsContact O-CG 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.27Å; L16-R20 PolarHBondContact O-N 2.98Å
17D89.9Confident75.4Confident93 Ų93113.8 Ų113.850%0.49756%0.556SS.*Hα-helixtrans-68.7-35175.1-80.6-17.2000113.3S15 R20 R21S15-D17 PolarHBondContact O-N 3.37Å; S15-D17 VanDerWaalsContact O-N 3.1Å; D17-R20 PolarHBondContact O-N 3.06Å; D17-R20 IonicContact OD1-NH1 2.92Å; D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 PolarHBondContact O-N 3.22Å
18E90Very high77.5Confident77 Ų77113 Ų11336%0.3655%0.546SS..Hα-helixtrans-71.7-39.9176-166.5159.1-137.500112L14 S15 R20 R21 E22L14-E18 HydrophobicContact CB-CB 4.14Å; L14-E18 HydrophobicContact CB-CG 4.23Å; L14-E18 HydrophobicContact CD2-CG 3.79Å; L14-E18 WeakPolarHBondContact CD2-OE2 3.43Å; L14-E18 HydrophobicContact CG-CG 4.43Å; S15-E18 WeakPolarHBondContact O-CA 3.48Å; S15-E18 WeakPolarHBondContact O-CB 3.42Å; S15-E18 PolarHBondContact O-N 3.23Å; S15-E18 VanDerWaalsContact OG-CB 3.3Å; S15-E18 WeakPolarHBondContact OG-CB 2.97Å; S15-E18 PolarHBondContact OG-N 3.38Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.15Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-R21 IonicContact OE1-NH1 3.18Å; E18-E22 WeakPolarHBondContact O-CB 3.27Å; E18-E22 PolarHBondContact O-N 3.16Å
19R80.7Confident79.6Confident114 Ų114111 Ų11143%0.4353%0.532SS..Hα-helixtrans-61.1-36.1169.3-64.3-175.6-156.8-172.1-2112.2D13 L14 S15 R23D13-R19 IonicContact OD1-NH2 3.84Å; D13-R19 PolarHBondContact OD1-NH2 3.46Å; L14-R19 HydrophobicContact CB-CG 3.75Å; L14-R19 PolarHBondContact O-NE 3.3Å; S15-R19 PolarHBondContact O-N 3.21Å; R19-R23 WeakPolarHBondContact O-CB 3.24Å; R19-R23 WeakPolarHBondContact O-CG 3.47Å; R19-R23 PolarHBondContact O-N 3.01Å; R19-R23 PolarHBondContact O-NE 3.2Å
20R88.8Confident81.3Confident123 Ų123110.9 Ų110.946%0.46452%0.523SS..Hα-helixtrans-68-44.6174.7-77.1172.1173.4175.3-2.5111.1L16 D17 E18 R23 R24L16-R20 VanDerWaalsContact O-CG 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.27Å; L16-R20 PolarHBondContact O-N 2.98Å; D17-R20 PolarHBondContact O-N 3.06Å; D17-R20 IonicContact OD1-NH1 2.92Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.15Å; R20-R23 PolarHBondContact O-N 3.47Å; R20-R24 WeakPolarHBondContact O-CG 3.42Å; R20-R24 PolarHBondContact O-N 3.13Å
21R91.5Very high83.4Confident109 Ų109109 Ų10941%0.41151%0.511SS..Hα-helixtrans-59.7-45.7174.4-83.4-177-97.8118.4-5.6111.4D17 E18 R24 R25D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 PolarHBondContact O-N 3.22Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-R21 IonicContact OE1-NH1 3.18Å; R21-R24 PolarHBondContact O-N 3.09Å; R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 2.91Å
22E87.4Confident85.1Confident64 Ų64109.1 Ų109.130%0.29950%0.501SS..Hα-helixtrans-68-40.4-179.7-165.354.6-146.100112E18 R24 R25 L26 R29E18-E22 WeakPolarHBondContact O-CB 3.27Å; E18-E22 PolarHBondContact O-N 3.16Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.08Å; E22-R25 PolarHBondContact O-N 3.47Å; E22-R25 WeakPolarHBondContact OE2-CD 3.36Å; E22-R25 IonicContact OE2-NH1 2.76Å; E22-R25 PolarHBondContact OE2-NH1 2.94Å; E22-L26 WeakPolarHBondContact O-CB 3.22Å; E22-L26 PolarHBondContact O-N 3.45Å; E22-R29 IonicContact OE1-CZ 2.73Å; E22-R29 IonicContact OE1-NH2 3.74Å; E22-R29 PolarHBondContact OE1-NH2 2.81Å
23R87.7Confident86.2Confident164 Ų164108 Ų10862%0.61949%0.493SS*.Hα-helixtrans-58.1-41171.4-85.2-174-79.9-156.2-2.9112.8R19 R20 K27R19-R23 WeakPolarHBondContact O-CB 3.24Å; R19-R23 WeakPolarHBondContact O-CG 3.47Å; R19-R23 PolarHBondContact O-N 3.01Å; R19-R23 PolarHBondContact O-NE 3.2Å; R20-R23 PolarHBondContact O-N 3.47Å; R23-K27 WeakPolarHBondContact O-CB 3.41Å; R23-K27 PolarHBondContact O-N 3.25Å
24R91.3Very high87.2Confident165 Ų165104.7 Ų104.762%0.62348%0.477SS*.Hα-helixtrans-64.4-46.1175.6-70.2175-168.6160.62.9111.3R20 R21 E22 L26 K27 I28R20-R24 WeakPolarHBondContact O-CG 3.42Å; R20-R24 PolarHBondContact O-N 3.13Å; R21-R24 PolarHBondContact O-N 3.09Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.08Å; R24-L26 PolarHBondContact O-N 2.64Å; R24-K27 PolarHBondContact O-N 2.97Å; R24-I28 VanDerWaalsContact O-CG1 3.26Å; R24-I28 WeakPolarHBondContact O-CG1 3.45Å; R24-I28 PolarHBondContact O-N 2.91Å
25R90.6Very high87.8Confident143 Ų143107.8 Ų107.854%0.5449%0.488SS..Hα-helixtrans-58.7-46.3176.2-73.7174.7175.3166.1-3.9111.8R21 E22 I28 R29R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 2.91Å; E22-R25 PolarHBondContact O-N 3.47Å; E22-R25 WeakPolarHBondContact OE2-CD 3.36Å; E22-R25 IonicContact OE2-NH1 2.76Å; E22-R25 PolarHBondContact OE2-NH1 2.94Å; R25-I28 PolarHBondContact O-N 3.23Å; R25-R29 WeakPolarHBondContact O-CG 3.48Å; R25-R29 PolarHBondContact O-N 3.27Å
26L88.9Confident87.6Confident104 Ų104111.3 Ų111.355%0.54550%0.498SS..Hα-helixtrans-64.4-42.5179.4-155.373.2000111.5E22 R24 I28 R29 H30E22-L26 WeakPolarHBondContact O-CB 3.22Å; E22-L26 PolarHBondContact O-N 3.45Å; R24-L26 PolarHBondContact O-N 2.64Å; L26-I28 PolarHBondContact O-N 2.94Å; L26-R29 VanDerWaalsContact CD1-NH2 3.32Å; L26-R29 PolarHBondContact O-N 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.32Å; L26-H30 PolarHBondContact O-N 3.47Å
27K90.2Very high86.9Confident154 Ų154110.5 Ų110.567%0.6749%0.493SS*.Hα-helixtrans-60.9-44.2174.7-171.2174.3-177.7177.10111.7R23 R24 H30 T31R23-K27 WeakPolarHBondContact O-CB 3.41Å; R23-K27 PolarHBondContact O-N 3.25Å; R24-K27 PolarHBondContact O-N 2.97Å; K27-H30 PolarHBondContact O-N 3.14Å; K27-T31 WeakPolarHBondContact O-CB 3.12Å; K27-T31 PolarHBondContact O-N 3.46Å; K27-T31 PolarHBondContact O-OG1 2.81Å; K27-T31 VanDerWaalsContact O-OG1 3.05Å
28I91.8Very high86.4Confident98 Ų98109.7 Ų109.750%0.50349%0.489SS..Hα-helixtrans-62.1-47.4176.3-68.1163.4000110.7R24 R25 L26 H30 T31 N32R24-I28 VanDerWaalsContact O-CG1 3.26Å; R24-I28 WeakPolarHBondContact O-CG1 3.45Å; R24-I28 PolarHBondContact O-N 2.91Å; R25-I28 PolarHBondContact O-N 3.23Å; L26-I28 PolarHBondContact O-N 2.94Å; I28-H30 PolarHBondContact O-N 3.45Å; I28-T31 PolarHBondContact O-N 3.39Å; I28-N32 PolarHBondContact O-N 2.81Å
29R85.8Confident85.9Confident128 Ų128108.8 Ų108.848%0.48349%0.494SS..Hα-helixtrans-57.4-48.2176.4-76.5-170.2-69-130.4-4.9111.8E22 R25 L26 T31 N32 M33E22-R29 IonicContact OE1-CZ 2.73Å; E22-R29 IonicContact OE1-NH2 3.74Å; E22-R29 PolarHBondContact OE1-NH2 2.81Å; R25-R29 WeakPolarHBondContact O-CG 3.48Å; R25-R29 PolarHBondContact O-N 3.27Å; L26-R29 VanDerWaalsContact CD1-NH2 3.32Å; L26-R29 PolarHBondContact O-N 3.31Å; R29-T31 PolarHBondContact O-N 2.9Å; R29-N32 PolarHBondContact O-N 3.25Å; R29-M33 WeakPolarHBondContact O-CB 3.17Å; R29-M33 PolarHBondContact O-N 3.24Å
30H84.9Confident85.6Confident119 Ų119109.2 Ų109.255%0.55150%0.501SS*.Hα-helixtrans-59.8-46.7177177.5-86.6000111.7L26 K27 I28 N32 M33 V34L26-H30 WeakPolarHBondContact O-CB 3.32Å; L26-H30 PolarHBondContact O-N 3.47Å; K27-H30 PolarHBondContact O-N 3.14Å; I28-H30 PolarHBondContact O-N 3.45Å; H30-N32 VanDerWaalsContact C-N 3.33Å; H30-N32 PolarHBondContact O-N 3.33Å; H30-M33 PolarHBondContact O-N 3.27Å; H30-V34 WeakPolarHBondContact O-CG2 3.45Å; H30-V34 PolarHBondContact O-N 2.83Å
31T89.9Confident84.9Confident59 Ų59106.7 Ų106.736%0.36250%0.495SS..Hα-helixtrans-61.2-40.6177-62.50000112.3K27 I28 R29 K35K27-T31 WeakPolarHBondContact O-CB 3.12Å; K27-T31 PolarHBondContact O-N 3.46Å; K27-T31 PolarHBondContact O-OG1 2.81Å; K27-T31 VanDerWaalsContact O-OG1 3.05Å; I28-T31 PolarHBondContact O-N 3.39Å; R29-T31 PolarHBondContact O-N 2.9Å; T31-K35 HydrophobicContact CG2-CD 4.45Å; T31-K35 WeakPolarHBondContact O-CG 3.36Å; T31-K35 PolarHBondContact O-N 3.39Å
32N88.2Confident84.2Confident79 Ų79110.7 Ų110.742%0.42251%0.511SS..Hα-helixtrans-65.7-45.1176.9-71.4-7.1000111.4I28 R29 H30 V34 K35 E36I28-N32 PolarHBondContact O-N 2.81Å; R29-N32 PolarHBondContact O-N 3.25Å; H30-N32 VanDerWaalsContact C-N 3.33Å; H30-N32 PolarHBondContact O-N 3.33Å; N32-V34 PolarHBondContact O-N 2.85Å; N32-K35 WeakPolarHBondContact O-CB 3.37Å; N32-K35 PolarHBondContact O-N 2.9Å; N32-K35 VanDerWaalsContact O-N 3.12Å; N32-E36 PolarHBondContact O-N 3.05Å
33M81.4Confident83.7Confident107 Ų107112.4 Ų112.453%0.52753%0.529SS..Hα-helixtrans-59.1-45.7176.5-171.2-172.6-5800112R29 H30 K35 E36 I37R29-M33 WeakPolarHBondContact O-CB 3.17Å; R29-M33 PolarHBondContact O-N 3.24Å; H30-M33 PolarHBondContact O-N 3.27Å; M33-K35 VanDerWaalsContact C-N 3.3Å; M33-K35 PolarHBondContact O-N 3.09Å; M33-E36 PolarHBondContact O-N 2.94Å; M33-I37 HydrophobicContact CG-CD1 4.04Å; M33-I37 VanDerWaalsContact O-CG1 3.29Å; M33-I37 WeakPolarHBondContact O-CG1 3.28Å; M33-I37 PolarHBondContact O-N 3.46Å
34V85.3Confident83.3Confident59 Ų59108 Ų10836%0.35852%0.524SS..Hα-helixtrans-61.9-38.4175.91710000111.6H30 N32 N38H30-V34 WeakPolarHBondContact O-CG2 3.45Å; H30-V34 PolarHBondContact O-N 2.83Å; N32-V34 PolarHBondContact O-N 2.85Å; V34-N38 VanDerWaalsContact O-CB 3.32Å; V34-N38 WeakPolarHBondContact O-CB 3.26Å; V34-N38 PolarHBondContact O-N 3.4Å; V34-N38 PolarHBondContact O-ND2 2.98Å
35K88.4Confident82.5Confident136 Ų136102.8 Ų102.859%0.59151%0.508SS*.Hα-helixtrans-66.2-43.5175.9-76.5177.3178.4-177.10112.1T31 N32 M33 N38 A39T31-K35 HydrophobicContact CG2-CD 4.45Å; T31-K35 WeakPolarHBondContact O-CG 3.36Å; T31-K35 PolarHBondContact O-N 3.39Å; N32-K35 WeakPolarHBondContact O-CB 3.37Å; N32-K35 PolarHBondContact O-N 2.9Å; N32-K35 VanDerWaalsContact O-N 3.12Å; M33-K35 VanDerWaalsContact C-N 3.3Å; M33-K35 PolarHBondContact O-N 3.09Å; K35-N38 PolarHBondContact O-N 2.91Å; K35-A39 VanDerWaalsContact O-CB 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.33Å; K35-A39 PolarHBondContact O-N 3.36Å
36E79.6Confident81.9Confident136 Ų13699 Ų9964%0.63650%0.503SS*.Hα-helixtrans-63.1-45.6177.2-75.6172.5-170.100111.5N32 M33 N38 A39 H40N32-E36 PolarHBondContact O-N 3.05Å; M33-E36 PolarHBondContact O-N 2.94Å; E36-N38 PolarHBondContact O-N 3.47Å; E36-A39 PolarHBondContact O-N 3.14Å; E36-H40 WeakPolarHBondContact O-CB 3.36Å; E36-H40 PolarHBondContact O-N 3.11Å
37I72.4Confident81.2Confident90 Ų90104.4 Ų104.446%0.46252%0.517SS..Hα-helixtrans-59.6-48.7175.2-68166.7000110.3M33 A39 H40 I41M33-I37 HydrophobicContact CG-CD1 4.04Å; M33-I37 VanDerWaalsContact O-CG1 3.29Å; M33-I37 WeakPolarHBondContact O-CG1 3.28Å; M33-I37 PolarHBondContact O-N 3.46Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 2.98Å; I37-H40 PolarHBondContact O-N 2.99Å; I37-I41 HydrophobicContact CG2-CD1 3.76Å; I37-I41 HydrophobicContact CG2-CG1 4.42Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.25Å; I37-I41 PolarHBondContact O-N 3.36Å
38N79.7Confident80.6Confident76 Ų76101.3 Ų101.341%0.40652%0.515SS..Hα-helixtrans-62.7-39.6178-81.6-29000112.7V34 K35 E36 R42V34-N38 VanDerWaalsContact O-CB 3.32Å; V34-N38 WeakPolarHBondContact O-CB 3.26Å; V34-N38 PolarHBondContact O-N 3.4Å; V34-N38 PolarHBondContact O-ND2 2.98Å; K35-N38 PolarHBondContact O-N 2.91Å; E36-N38 PolarHBondContact O-N 3.47Å; N38-R42 WeakPolarHBondContact O-CB 3.33Å; N38-R42 VanDerWaalsContact O-CG 3.25Å; N38-R42 WeakPolarHBondContact O-CG 3.4Å; N38-R42 PolarHBondContact O-N 2.72Å
39A79.2Confident80Confident57 Ų57100 Ų10047%0.47151%0.505SS..Hα-helixtrans-64-44.2176.200000110.6K35 E36 I37 R42 S43K35-A39 VanDerWaalsContact O-CB 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.33Å; K35-A39 PolarHBondContact O-N 3.36Å; E36-A39 PolarHBondContact O-N 3.14Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 2.98Å; A39-R42 PolarHBondContact O-N 3.23Å; A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.24Å; A39-S43 PolarHBondContact O-OG 3.5Å
40H74.6Confident79.4Confident124 Ų12497.1 Ų97.157%0.57450%0.499SS*.Hα-helixtrans-62.6-46.4177.3-173.3-1.4000111.7E36 I37 R42 S43 S44E36-H40 WeakPolarHBondContact O-CB 3.36Å; E36-H40 PolarHBondContact O-N 3.11Å; I37-H40 PolarHBondContact O-N 2.99Å; H40-R42 VanDerWaalsContact C-N 3.31Å; H40-R42 PolarHBondContact O-N 2.9Å; H40-S43 PolarHBondContact O-N 2.93Å; H40-S43 PolarHBondContact O-OG 3.22Å; H40-S44 WeakPolarHBondContact O-CB 3.04Å; H40-S44 PolarHBondContact O-N 2.98Å; H40-S44 PolarHBondContact O-OG 3.42Å
41I74.7Confident79.2Confident69 Ų6995.3 Ų95.335%0.35450%0.496SS..Hα-helixtrans-59.6-44.1176.9-68.3169.6000110.3I37 S44 L45I37-I41 HydrophobicContact CG2-CD1 3.76Å; I37-I41 HydrophobicContact CG2-CG1 4.42Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.25Å; I37-I41 PolarHBondContact O-N 3.36Å; I41-S44 PolarHBondContact O-OG 3.5Å; I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 WeakPolarHBondContact O-CB 3.42Å; I41-L45 PolarHBondContact O-N 2.89Å
42R77.1Confident78.7Confident194 Ų19494.6 Ų94.673%0.73249%0.493SS*.Hα-helixtrans-70.3-28.8179.2-73.9177.6-178.7-173.30.6113.5N38 A39 H40N38-R42 WeakPolarHBondContact O-CB 3.33Å; N38-R42 VanDerWaalsContact O-CG 3.25Å; N38-R42 WeakPolarHBondContact O-CG 3.4Å; N38-R42 PolarHBondContact O-N 2.72Å; A39-R42 PolarHBondContact O-N 3.23Å; H40-R42 VanDerWaalsContact C-N 3.31Å; H40-R42 PolarHBondContact O-N 2.9Å
43S77.1Confident78.2Confident99 Ų9994.2 Ų94.269%0.69249%0.491SS*.Hα-helixtrans-83.8-28.7178.170.40000112.5A39 H40A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.24Å; A39-S43 PolarHBondContact O-OG 3.5Å; H40-S43 PolarHBondContact O-N 2.93Å; H40-S43 PolarHBondContact O-OG 3.22Å
44S77.2Confident78.1Confident72 Ų7292.6 Ų92.650%0.50349%0.487SS..Hα-helixtrans-89.9-32.9-178.4640000113.3H40 I41H40-S44 WeakPolarHBondContact O-CB 3.04Å; H40-S44 PolarHBondContact O-N 2.98Å; H40-S44 PolarHBondContact O-OG 3.42Å; I41-S44 PolarHBondContact O-OG 3.5Å
45L75.3Confident77.9Confident55 Ų5593.6 Ų93.629%0.28849%0.493SS..SBendtrans-96.6127.5178-63.6174.2000110.2I41 K49 L50 L53I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 WeakPolarHBondContact O-CB 3.42Å; I41-L45 PolarHBondContact O-N 2.89Å; L45-K49 HydrophobicContact CD2-CG 3.97Å; L45-L50 HydrophobicContact CD1-CD1 4.28Å; L45-L53 HydrophobicContact CD1-CD1 4.16Å
46S77.5Confident77.5Confident63 Ų6390.3 Ų90.344%0.44148%0.48SS..  trans-57.9147.3165.965.60000109.6S48 K49 L50S46-S48 PolarHBondContact O-N 3.24Å; S46-S48 VanDerWaalsContact O-N 3.14Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S46-K49 PolarHBondContact O-N 3.06Å; S46-K49 WeakPolarHBondContact OG-CB 3.5Å; S46-K49 PolarHBondContact OG-N 3.01Å; S46-K49 VanDerWaalsContact OG-N 3.15Å; S46-L50 PolarHBondContact O-N 3.31Å
47R75.8Confident77.5Confident219 Ų21989 Ų8983%0.82648%0.477SS*.Hα-helixtrans-52.6-37.8175.7-176.1179176.9117-1.1111.4L50 V51R47-L50 PolarHBondContact O-N 3.13Å; R47-V51 VanDerWaalsContact O-CG2 3.28Å; R47-V51 WeakPolarHBondContact O-CG2 3.44Å; R47-V51 PolarHBondContact O-N 2.92Å
48S77.2Confident77.9Confident89 Ų8988.7 Ų88.762%0.62248%0.476SS*.Hα-helixtrans-64.1-43.9176.153.10000112.6S46 V51 S52S46-S48 PolarHBondContact O-N 3.24Å; S46-S48 VanDerWaalsContact O-N 3.14Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S48-V51 PolarHBondContact O-N 3.44Å; S48-S52 PolarHBondContact O-N 3.2Å
49K78.7Confident78Confident70 Ų7087.2 Ų87.230%0.30447%0.472SS..Hα-helixtrans-66-39.6177.5-170.962.1170.9179.10111.7L45 S46 S52 L53L45-K49 HydrophobicContact CD2-CG 3.97Å; S46-K49 PolarHBondContact O-N 3.06Å; S46-K49 WeakPolarHBondContact OG-CB 3.5Å; S46-K49 PolarHBondContact OG-N 3.01Å; S46-K49 VanDerWaalsContact OG-N 3.15Å; K49-S52 WeakPolarHBondContact O-CB 3.4Å; K49-S52 PolarHBondContact O-N 2.95Å; K49-L53 HydrophobicContact CG-CD1 4.49Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.05Å
50L74.3Confident78Confident67 Ų6786.6 Ų86.635%0.35146%0.46SS..Hα-helixtrans-61.5-45.5175.1-17470.5000111.4L45 S46 R47 L53 V54L45-L50 HydrophobicContact CD1-CD1 4.28Å; S46-L50 PolarHBondContact O-N 3.31Å; R47-L50 PolarHBondContact O-N 3.13Å; L50-L53 PolarHBondContact O-N 3.4Å; L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.49Å
51V79.5Confident78.1Confident81 Ų8183.8 Ų83.849%0.49145%0.452SS..Hα-helixtrans-61-44.8176.1170.60000110.9R47 S48 L53 V54 T55R47-V51 VanDerWaalsContact O-CG2 3.28Å; R47-V51 WeakPolarHBondContact O-CG2 3.44Å; R47-V51 PolarHBondContact O-N 2.92Å; S48-V51 PolarHBondContact O-N 3.44Å; V51-L53 PolarHBondContact O-N 3.36Å; V51-V54 PolarHBondContact O-N 2.96Å; V51-T55 HydrophobicContact CG1-CG2 4.43Å; V51-T55 WeakPolarHBondContact O-CG2 3.45Å; V51-T55 PolarHBondContact O-N 2.94Å; V51-T55 PolarHBondContact O-OG1 3.32Å; V51-T55 VanDerWaalsContact O-OG1 3.08Å
52S79.1Confident78.5Confident44 Ų4484.9 Ų84.931%0.30846%0.458SS..Hα-helixtrans-55-50175.8-165.40000111.9S48 K49 V54 T55 E56S48-S52 PolarHBondContact O-N 3.2Å; K49-S52 WeakPolarHBondContact O-CB 3.4Å; K49-S52 PolarHBondContact O-N 2.95Å; S52-V54 VanDerWaalsContact C-N 3.33Å; S52-V54 PolarHBondContact O-N 3.34Å; S52-T55 VanDerWaalsContact CA-OG1 3.32Å; S52-T55 WeakPolarHBondContact CA-OG1 3.36Å; S52-T55 PolarHBondContact O-N 3.5Å; S52-T55 PolarHBondContact O-OG1 3.24Å; S52-E56 WeakPolarHBondContact O-CB 3.37Å; S52-E56 VanDerWaalsContact O-CG 3.26Å; S52-E56 WeakPolarHBondContact O-CG 3.49Å; S52-E56 PolarHBondContact O-N 2.94Å; S52-E56 PolarHBondContact OG-OE1 3.1Å
53L78.6Confident78.6Confident71 Ų7177.1 Ų77.137%0.37243%0.431SS..Hα-helixtrans-62.4-39.8179.6-72171.7000112.3L45 K49 L50 V51 E56 L57L45-L53 HydrophobicContact CD1-CD1 4.16Å; K49-L53 HydrophobicContact CG-CD1 4.49Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.05Å; L50-L53 PolarHBondContact O-N 3.4Å; V51-L53 PolarHBondContact O-N 3.36Å; L53-E56 PolarHBondContact O-N 2.91Å; L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 PolarHBondContact O-N 3.36Å
54V79.1Confident78.6Confident73 Ų7375.3 Ų75.344%0.44242%0.418SS..Hα-helixtrans-65.2-43.5176.1171.20000110.8L50 V51 S52 L57 N58L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.49Å; V51-V54 PolarHBondContact O-N 2.96Å; S52-V54 VanDerWaalsContact C-N 3.33Å; S52-V54 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.35Å; V54-N58 WeakPolarHBondContact O-CB 3.45Å; V54-N58 VanDerWaalsContact O-CG 3.23Å; V54-N58 PolarHBondContact O-N 2.98Å; V54-N58 PolarHBondContact O-ND2 3.09Å
55T80.7Confident78.7Confident80 Ų8076.2 Ų76.249%0.49142%0.417SS..Hα-helixtrans-64.4-40.5176.947.80000112.1V51 S52 N58 S59V51-T55 HydrophobicContact CG1-CG2 4.43Å; V51-T55 WeakPolarHBondContact O-CG2 3.45Å; V51-T55 PolarHBondContact O-N 2.94Å; V51-T55 PolarHBondContact O-OG1 3.32Å; V51-T55 VanDerWaalsContact O-OG1 3.08Å; S52-T55 VanDerWaalsContact CA-OG1 3.32Å; S52-T55 WeakPolarHBondContact CA-OG1 3.36Å; S52-T55 PolarHBondContact O-N 3.5Å; S52-T55 PolarHBondContact O-OG1 3.24Å; T55-N58 PolarHBondContact O-N 2.95Å; T55-S59 PolarHBondContact O-N 3.4Å
56E79.7Confident78.9Confident68 Ų6878.5 Ų78.532%0.31843%0.426SS..Hα-helixtrans-63-45.2175.8-73.2163.3-138.200111.2S52 L53 S59 L60 R101S52-E56 WeakPolarHBondContact O-CB 3.37Å; S52-E56 VanDerWaalsContact O-CG 3.26Å; S52-E56 WeakPolarHBondContact O-CG 3.49Å; S52-E56 PolarHBondContact O-N 2.94Å; S52-E56 PolarHBondContact OG-OE1 3.1Å; L53-E56 PolarHBondContact O-N 2.91Å; E56-S59 PolarHBondContact O-N 3.03Å; E56-S59 PolarHBondContact O-OG 2.87Å; E56-L60 PolarHBondContact O-N 3.25Å; E56-L60 VanDerWaalsContact O-N 3.14Å; E56-R101 PolarHBondContact O-NH1 2.95Å
57L79.3Confident78.9Confident107 Ų10776.4 Ų76.456%0.5641%0.411SS*.Hα-helixtrans-64-41.3177.8-177.163.1000112.3L53 V54 L60 T61L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 PolarHBondContact O-N 3.36Å; V54-L57 PolarHBondContact O-N 3.35Å; L57-L60 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-N 3.46Å; L57-T61 PolarHBondContact O-OG1 3.26Å
58N81.2Confident79Confident84 Ų8468.7 Ų68.745%0.44939%0.386SS..Hα-helixtrans-61.3-45.7176-72.4-15.5000110.9V54 T55 L60 T61 D62V54-N58 WeakPolarHBondContact O-CB 3.45Å; V54-N58 VanDerWaalsContact O-CG 3.23Å; V54-N58 PolarHBondContact O-N 2.98Å; V54-N58 PolarHBondContact O-ND2 3.09Å; T55-N58 PolarHBondContact O-N 2.95Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3Å; N58-T61 WeakPolarHBondContact O-CB 3.39Å; N58-T61 PolarHBondContact O-N 2.98Å; N58-T61 VanDerWaalsContact O-N 3.08Å; N58-D62 PolarHBondContact O-N 2.82Å
59S81.5Confident79Confident45 Ų4568.6 Ų68.632%0.31538%0.379SS..Hα-helixtrans-60.2-36.6177.672.50000113.2T55 E56 L63 R101T55-S59 PolarHBondContact O-N 3.4Å; E56-S59 PolarHBondContact O-N 3.03Å; E56-S59 PolarHBondContact O-OG 2.87Å; S59-L63 WeakPolarHBondContact O-CB 3.45Å; S59-L63 PolarHBondContact O-N 2.94Å; S59-L63 VanDerWaalsContact O-N 3.15Å; S59-R101 PolarHBondContact OG-NH1 3.04Å; S59-R101 PolarHBondContact OG-NH2 3.47Å
60L79.5Confident78.8Confident44 Ų4466.2 Ų66.223%0.2337%0.371CS..Hα-helixtrans-70.2-39.6176-176.359.8000111.2E56 L57 N58 D62 L63 C64 I94 C98E56-L60 PolarHBondContact O-N 3.25Å; E56-L60 VanDerWaalsContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 3.06Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3Å; L60-D62 VanDerWaalsContact C-N 3.35Å; L60-L63 PolarHBondContact O-N 3.42Å; L60-C64 WeakPolarHBondContact O-CB 3.06Å; L60-C64 PolarHBondContact O-N 3.37Å; L60-C64 PolarHBondContact O-SG 3.46Å; L60-I94 HydrophobicContact CD1-CG2 4.22Å; L60-C98 VanDerWaalsContact CD1-SG 3.58Å
61T77.3Confident78.7Confident66 Ų6666.5 Ų66.541%0.40537%0.371SS..Hα-helixtrans-61.7-45.7177.2-56.10000110.5L57 N58 L63 C64 L65L57-T61 PolarHBondContact O-N 3.46Å; L57-T61 PolarHBondContact O-OG1 3.26Å; N58-T61 WeakPolarHBondContact O-CB 3.39Å; N58-T61 PolarHBondContact O-N 2.98Å; N58-T61 VanDerWaalsContact O-N 3.08Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.02Å; T61-C64 PolarHBondContact O-N 3.43Å; T61-L65 HydrophobicContact CG2-CD1 4.37Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 2.91Å
62D82.1Confident78.4Confident91 Ų9169.4 Ų69.449%0.48737%0.374SS..Hα-helixtrans-60-42176.8-67.5-22.7000111.6N58 L60 L65 Q66N58-D62 PolarHBondContact O-N 2.82Å; L60-D62 VanDerWaalsContact C-N 3.35Å; D62-L65 PolarHBondContact O-N 2.95Å; D62-Q66 WeakPolarHBondContact O-CG 3.49Å; D62-Q66 PolarHBondContact O-N 3.28Å
63L79.2Confident78.2Confident31 Ų3170.6 Ų70.616%0.16238%0.382CS..Hα-helixtrans-66.6-41.9178.4-159.469.8000111.8S59 L60 T61 L65 Q66 C67 I94 A97S59-L63 WeakPolarHBondContact O-CB 3.45Å; S59-L63 PolarHBondContact O-N 2.94Å; S59-L63 VanDerWaalsContact O-N 3.15Å; L60-L63 PolarHBondContact O-N 3.42Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.02Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.02Å; L63-Q66 PolarHBondContact O-N 2.98Å; L63-C67 PolarHBondContact O-N 3.41Å; L63-I94 HydrophobicContact CB-CG1 4.1Å; L63-I94 VanDerWaalsContact CD2-CA 3.49Å; L63-I94 HydrophobicContact CD2-CB 3.99Å; L63-I94 HydrophobicContact CD2-CG1 3.38Å; L63-I94 HydrophobicContact CG-CB 4.49Å; L63-I94 HydrophobicContact CG-CD1 4.29Å; L63-I94 HydrophobicContact CG-CG1 3.38Å; L63-A97 HydrophobicContact CD2-CB 4.26Å
64C77.9Confident77.8Confident61 Ų6170.4 Ų70.441%0.41238%0.378SS..Hα-helixtrans-61.3-39.4173-73.20000112.3L60 T61 C67 N68L60-C64 WeakPolarHBondContact O-CB 3.06Å; L60-C64 PolarHBondContact O-N 3.37Å; L60-C64 PolarHBondContact O-SG 3.46Å; T61-C64 PolarHBondContact O-N 3.43Å; C64-C67 PolarHBondContact O-N 2.87Å; C64-N68 WeakPolarHBondContact O-CB 3.08Å; C64-N68 PolarHBondContact O-N 3.29Å
65L79.7Confident77.5Confident91 Ų9174 Ų7448%0.47639%0.392SS..Hα-helixtrans-64.5-45.4175.1-71.3172.8000111.2T61 D62 L63 C67 N68 D69T61-L65 HydrophobicContact CG2-CD1 4.37Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 2.91Å; D62-L65 PolarHBondContact O-N 2.95Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.02Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 2.95Å; L65-N68 PolarHBondContact O-N 3.32Å; L65-N68 VanDerWaalsContact O-N 3.13Å; L65-D69 PolarHBondContact O-N 3.16Å
66Q79.5Confident77Confident104 Ų10475.7 Ų75.749%0.48640%0.402SS..Hα-helixtrans-59.7-40.9176.1-71.4173.230.800112.6D62 L63 S70D62-Q66 WeakPolarHBondContact O-CG 3.49Å; D62-Q66 PolarHBondContact O-N 3.28Å; L63-Q66 PolarHBondContact O-N 2.98Å; Q66-S70 WeakPolarHBondContact O-CB 3.34Å; Q66-S70 PolarHBondContact O-N 3.4Å; Q66-S70 PolarHBondContact O-OG 3.21Å
67C77.3Confident76.2Confident19 Ų1975.1 Ų75.113%0.12840%0.403CS..Hα-helixtrans-63-44.4174174.50000111.7L63 C64 L65 S70 M71 N90 I94L63-C67 PolarHBondContact O-N 3.41Å; C64-C67 PolarHBondContact O-N 2.87Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 2.95Å; C67-S70 WeakPolarHBondContact O-CB 3.45Å; C67-S70 PolarHBondContact O-N 3.38Å; C67-M71 WeakPolarHBondContact O-CB 3.37Å; C67-M71 PolarHBondContact O-N 3.03Å; C67-N90 HydrophobicContact CB-CB 4.41Å; C67-I94 HydrophobicContact CB-CD1 3.36Å
68N76.9Confident75.2Confident57 Ų5777.6 Ų77.631%0.30542%0.417SS..Hα-helixtrans-65.3-41179-161.21.5000111.8C64 L65 S70 M71 R72C64-N68 WeakPolarHBondContact O-CB 3.08Å; C64-N68 PolarHBondContact O-N 3.29Å; L65-N68 PolarHBondContact O-N 3.32Å; L65-N68 VanDerWaalsContact O-N 3.13Å; N68-S70 VanDerWaalsContact C-N 3.34Å; N68-M71 WeakPolarHBondContact O-CB 3.39Å; N68-M71 PolarHBondContact O-N 3.11Å; N68-M71 VanDerWaalsContact OD1-CE 3.23Å; N68-M71 WeakPolarHBondContact OD1-CE 3.3Å; N68-R72 WeakPolarHBondContact O-CG 3.38Å; N68-R72 PolarHBondContact O-N 3.39Å
69D78.1Confident74.3Confident86 Ų8681.1 Ų81.146%0.4644%0.436SS..Hα-helixtrans-67-36.1175.4-70-22.6000111.8L65 R72 S73L65-D69 PolarHBondContact O-N 3.16Å; D69-R72 PolarHBondContact O-N 3.49Å; D69-R72 IonicContact OD1-NH1 3.4Å; D69-R72 PolarHBondContact OD1-NH1 3.49Å; D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 2.9Å
70S73.7Confident74Confident21 Ų2182.1 Ų82.115%0.14744%0.438CS..Hα-helixtrans-65-40.5172.5-580000112Q66 C67 N68 S73 F74 N90Q66-S70 WeakPolarHBondContact O-CB 3.34Å; Q66-S70 PolarHBondContact O-N 3.4Å; Q66-S70 PolarHBondContact O-OG 3.21Å; C67-S70 WeakPolarHBondContact O-CB 3.45Å; C67-S70 PolarHBondContact O-N 3.38Å; N68-S70 VanDerWaalsContact C-N 3.34Å; S70-S73 PolarHBondContact O-N 2.99Å; S70-F74 WeakPolarHBondContact O-CB 3.35Å; S70-F74 PolarHBondContact O-N 3.06Å; S70-N90 PolarHBondContact OG-ND2 3.5Å
71M72Confident73.9Confident72 Ų7286 Ų8636%0.35546%0.458SS..Hα-helixtrans-63-44174.9-173.9176.958.900111.4C67 N68 F74 M75C67-M71 WeakPolarHBondContact O-CB 3.37Å; C67-M71 PolarHBondContact O-N 3.03Å; N68-M71 WeakPolarHBondContact O-CB 3.39Å; N68-M71 PolarHBondContact O-N 3.11Å; N68-M71 VanDerWaalsContact OD1-CE 3.23Å; N68-M71 WeakPolarHBondContact OD1-CE 3.3Å; M71-F74 PolarHBondContact O-N 2.96Å; M71-M75 WeakPolarHBondContact O-CG 3.4Å; M71-M75 PolarHBondContact O-N 3.3Å
72R74.6Confident74.1Confident143 Ų14390.2 Ų90.254%0.5447%0.473SS..Hα-helixtrans-62.1-43.9175.4-72.9177.7-172.8146.5-4.5111.8N68 D69 F74 M75 T76N68-R72 WeakPolarHBondContact O-CG 3.38Å; N68-R72 PolarHBondContact O-N 3.39Å; D69-R72 PolarHBondContact O-N 3.49Å; D69-R72 IonicContact OD1-NH1 3.4Å; D69-R72 PolarHBondContact OD1-NH1 3.49Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 3.39Å; R72-M75 PolarHBondContact O-N 3.37Å; R72-T76 WeakPolarHBondContact O-CG2 3.35Å; R72-T76 PolarHBondContact O-N 2.87Å; R72-T76 PolarHBondContact O-OG1 3.34Å
73S74.1Confident73.9Confident68 Ų6886.7 Ų86.748%0.47646%0.459SS..Hα-helixtrans-58.1-48.2175.9-171.60000110.8D69 S70 M75 T76 T77D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 2.9Å; S70-S73 PolarHBondContact O-N 2.99Å; S73-M75 PolarHBondContact O-N 3.24Å; S73-T76 PolarHBondContact O-N 3Å; S73-T76 VanDerWaalsContact O-N 3.1Å; S73-T76 PolarHBondContact O-OG1 2.89Å; S73-T77 PolarHBondContact O-N 2.97Å; S73-T77 PolarHBondContact O-OG1 2.89Å; S73-T77 VanDerWaalsContact O-OG1 3.07Å
74F70.3Confident73.7Confident67 Ų6788.9 Ų88.929%0.29447%0.47SS..Hα-helixtrans-57.9-45.2176.9169.8-112.6000112.5S70 M71 R72 T76 T77 I84S70-F74 WeakPolarHBondContact O-CB 3.35Å; S70-F74 PolarHBondContact O-N 3.06Å; M71-F74 PolarHBondContact O-N 2.96Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 3.39Å; F74-T76 PolarHBondContact O-N 3.34Å; F74-T77 PolarHBondContact O-N 3.28Å; F74-T77 VanDerWaalsContact O-O 3.11Å; F74-T77 PolarHBondContact O-OG1 3.44Å; F74-I84 HydrophobicContact CD2-CG1 3.69Å; F74-I84 HydrophobicContact CE2-CB 4.41Å; F74-I84 HydrophobicContact CE2-CD1 3.7Å; F74-I84 HydrophobicContact CE2-CG1 3.08Å; F74-I84 HydrophobicContact CZ-CD1 3.97Å; F74-I84 HydrophobicContact CZ-CG1 3.6Å
75M72.6Confident73.8Confident150 Ų15089.4 Ų89.474%0.73947%0.471SS*.Hα-helixtrans-64.5-19.7178-70.5-172.777.800114M71 R72 S73M71-M75 WeakPolarHBondContact O-CG 3.4Å; M71-M75 PolarHBondContact O-N 3.3Å; R72-M75 PolarHBondContact O-N 3.37Å; S73-M75 PolarHBondContact O-N 3.24Å
76T71.2Confident73.9Confident114 Ų11491 Ų9170%0.69947%0.474SS*.Hα-helixtrans-94.9-16.3179.155.40000114.1R72 S73 F74R72-T76 WeakPolarHBondContact O-CG2 3.35Å; R72-T76 PolarHBondContact O-N 2.87Å; R72-T76 PolarHBondContact O-OG1 3.34Å; S73-T76 PolarHBondContact O-N 3Å; S73-T76 VanDerWaalsContact O-N 3.1Å; S73-T76 PolarHBondContact O-OG1 2.89Å; F74-T76 PolarHBondContact O-N 3.34Å
77T61.9Low73.9Confident56 Ų5690.3 Ų90.334%0.34447%0.467SS..SBendtrans-109.7103.5-179.152.80000109.1S73 F74 D79S73-T77 PolarHBondContact O-N 2.97Å; S73-T77 PolarHBondContact O-OG1 2.89Å; S73-T77 VanDerWaalsContact O-OG1 3.07Å; F74-T77 PolarHBondContact O-N 3.28Å; F74-T77 VanDerWaalsContact O-O 3.11Å; F74-T77 PolarHBondContact O-OG1 3.44Å; T77-D79 PolarHBondContact O-N 2.94Å
78D58.5Low74Confident159 Ų15990.5 Ų90.585%0.8547%0.472SS*.THydrogen-bonded Turntrans-52.3125.1173.8-82.9-25.6000110.5D80D78-D80 VanDerWaalsContact C-N 3.33Å; D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.12Å
79D63.1Low74.4Confident158 Ų15893.5 Ų93.585%0.84548%0.484SS*.THydrogen-bonded Turntrans52.830.5165.6-62.4-30.2000118.1T77 L81T77-D79 PolarHBondContact O-N 2.94Å; D79-L81 PolarHBondContact O-N 3.18Å
80D74.4Confident74.5Confident67 Ų6790.9 Ų90.936%0.35847%0.47SS..  trans-81.7101.1170-171.812.3000111.5D78 E82 G83 I84D78-D80 VanDerWaalsContact C-N 3.33Å; D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.12Å; D80-E82 PolarHBondContact O-N 3.18Å; D80-E82 VanDerWaalsContact OD1-CB 3.23Å; D80-E82 WeakPolarHBondContact OD1-CB 3.43Å; D80-E82 PolarHBondContact OD1-N 2.91Å; D80-G83 PolarHBondContact O-N 2.82Å; D80-G83 PolarHBondContact OD2-N 2.74Å; D80-I84 PolarHBondContact O-N 3.47Å
81L78.1Confident74.8Confident126 Ų12692.6 Ų92.666%0.6648%0.48SS*.Hα-helixtrans-56.1-30173.4-175.266.7000112D79 I84 T85D79-L81 PolarHBondContact O-N 3.18Å; L81-I84 PolarHBondContact O-N 3.12Å; L81-T85 WeakPolarHBondContact O-CB 3.39Å; L81-T85 PolarHBondContact O-N 3.02Å; L81-T85 PolarHBondContact O-OG1 2.9Å
82E80.8Confident75.3Confident154 Ų15495.1 Ų95.172%0.7249%0.494SS*.Hα-helixtrans-66.6-42.4175.9-168.3171.8170.400110.7D80 I84 T85 K86D80-E82 PolarHBondContact O-N 3.18Å; D80-E82 VanDerWaalsContact OD1-CB 3.23Å; D80-E82 WeakPolarHBondContact OD1-CB 3.43Å; D80-E82 PolarHBondContact OD1-N 2.91Å; E82-I84 PolarHBondContact O-N 3.23Å; E82-T85 PolarHBondContact O-N 3.36Å; E82-K86 WeakPolarHBondContact O-CB 3.39Å; E82-K86 PolarHBondContact O-N 3.49Å
83G77.7Confident75.8Confident17 Ų1791.2 Ų91.218%0.17549%0.489CS..Hα-helixtrans-59.5-43.717300000113.5D80 W87D80-G83 PolarHBondContact O-N 2.82Å; D80-G83 PolarHBondContact OD2-N 2.74Å; G83-W87 WeakPolarHBondContact O-CB 3.49Å; G83-W87 PolarHBondContact O-N 2.82Å
84I76.2Confident76Confident77 Ų7789.2 Ų89.240%0.39547%0.472SS..Hα-helixtrans-61.3-47.9175.1-64.1174.7000110.5F74 D80 L81 E82 K86 W87 G88F74-I84 HydrophobicContact CD2-CG1 3.69Å; F74-I84 HydrophobicContact CE2-CB 4.41Å; F74-I84 HydrophobicContact CE2-CD1 3.7Å; F74-I84 HydrophobicContact CE2-CG1 3.08Å; F74-I84 HydrophobicContact CZ-CD1 3.97Å; F74-I84 HydrophobicContact CZ-CG1 3.6Å; D80-I84 PolarHBondContact O-N 3.47Å; L81-I84 PolarHBondContact O-N 3.12Å; E82-I84 PolarHBondContact O-N 3.23Å; I84-K86 PolarHBondContact O-N 3.3Å; I84-W87 PolarHBondContact O-N 3.23Å; I84-G88 PolarHBondContact O-N 2.94Å
85T78.6Confident76.4Confident71 Ų7188.5 Ų88.544%0.43648%0.476SS..Hα-helixtrans-61.2-48.1-177.5-55.60000110.2L81 E82 W87 G88 E89L81-T85 WeakPolarHBondContact O-CB 3.39Å; L81-T85 PolarHBondContact O-N 3.02Å; L81-T85 PolarHBondContact O-OG1 2.9Å; E82-T85 PolarHBondContact O-N 3.36Å; T85-W87 PolarHBondContact O-N 3.42Å; T85-G88 PolarHBondContact O-N 3.41Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.38Å
86K82Confident77Confident124 Ų12484.1 Ų84.154%0.53946%0.464SS..Hα-helixtrans-62.9-40.6178.1-174.4176.6-178.1178.30113.1E82 I84 E89 N90E82-K86 WeakPolarHBondContact O-CB 3.39Å; E82-K86 PolarHBondContact O-N 3.49Å; I84-K86 PolarHBondContact O-N 3.3Å; K86-E89 PolarHBondContact O-N 3.23Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 3.24Å; K86-N90 PolarHBondContact O-ND2 3.1Å
87W79.9Confident77.5Confident91 Ų9179.6 Ų79.635%0.34544%0.437SS..Hα-helixtrans-63.2-44.3174.3175.178.1000111.3G83 I84 T85 E89 N90 V91G83-W87 WeakPolarHBondContact O-CB 3.49Å; G83-W87 PolarHBondContact O-N 2.82Å; I84-W87 PolarHBondContact O-N 3.23Å; T85-W87 PolarHBondContact O-N 3.42Å; W87-E89 PolarHBondContact O-N 3.06Å; W87-N90 PolarHBondContact O-N 2.87Å; W87-V91 HydrophobicContact CD2-CG2 4.19Å; W87-V91 HydrophobicContact CH2-CG2 4.32Å; W87-V91 HydrophobicContact CZ2-CG2 3.81Å; W87-V91 WeakPolarHBondContact O-CG2 3.45Å; W87-V91 PolarHBondContact O-N 3.14Å
88G79.8Confident78.3Confident23 Ų2379 Ų7924%0.23744%0.435CS..Hα-helixtrans-58.9-45.2175.200000112.7I84 T85 N90 V91 L92I84-G88 PolarHBondContact O-N 2.94Å; T85-G88 PolarHBondContact O-N 3.41Å; G88-N90 VanDerWaalsContact C-N 3.34Å; G88-N90 PolarHBondContact O-N 2.76Å; G88-V91 PolarHBondContact O-N 3.38Å; G88-L92 WeakPolarHBondContact O-CG 3.44Å; G88-L92 PolarHBondContact O-N 3.38Å
89E84.5Confident79.3Confident119 Ų11976.8 Ų76.856%0.55642%0.419SS*.Hα-helixtrans-59.1-42.9174.6-73.4175171.700112.1T85 K86 W87 L92 S93T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.38Å; K86-E89 PolarHBondContact O-N 3.23Å; W87-E89 PolarHBondContact O-N 3.06Å; E89-L92 PolarHBondContact O-N 2.94Å; E89-S93 WeakPolarHBondContact O-CB 3.45Å; E89-S93 PolarHBondContact O-N 3.4Å
90N80.7Confident80.3Confident31 Ų3176.1 Ų76.117%0.16641%0.411CS..Hα-helixtrans-64.5-41.6177.2-74.5-19.1000112.3C67 S70 K86 W87 G88 S93 I94C67-N90 HydrophobicContact CB-CB 4.41Å; S70-N90 PolarHBondContact OG-ND2 3.5Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 3.24Å; K86-N90 PolarHBondContact O-ND2 3.1Å; W87-N90 PolarHBondContact O-N 2.87Å; G88-N90 VanDerWaalsContact C-N 3.34Å; G88-N90 PolarHBondContact O-N 2.76Å; N90-S93 PolarHBondContact O-N 2.94Å; N90-I94 WeakPolarHBondContact O-CG1 3.26Å; N90-I94 PolarHBondContact O-N 2.96Å
91V79.1Confident80.6Confident57 Ų5776.8 Ų76.835%0.34541%0.409SS..Hα-helixtrans-63.3-43.6175.1172.90000111W87 G88 S93 I94 S95W87-V91 HydrophobicContact CD2-CG2 4.19Å; W87-V91 HydrophobicContact CH2-CG2 4.32Å; W87-V91 HydrophobicContact CZ2-CG2 3.81Å; W87-V91 WeakPolarHBondContact O-CG2 3.45Å; W87-V91 PolarHBondContact O-N 3.14Å; G88-V91 PolarHBondContact O-N 3.38Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-I94 PolarHBondContact O-N 3.34Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.3Å
92L82.8Confident80.6Confident125 Ų12574.5 Ų74.565%0.65440%0.4SS*.Hα-helixtrans-64.4-39.1176.8-71.6174.3000111.8G88 E89 S95 A96G88-L92 WeakPolarHBondContact O-CG 3.44Å; G88-L92 PolarHBondContact O-N 3.38Å; E89-L92 PolarHBondContact O-N 2.94Å; L92-S95 PolarHBondContact O-N 2.98Å; L92-A96 WeakPolarHBondContact O-CB 3.28Å; L92-A96 PolarHBondContact O-N 3.46Å
93S84.6Confident80.8Confident61 Ų6171.2 Ų71.243%0.42739%0.387SS..Hα-helixtrans-62.4-43.9175.1-1710000111.8E89 N90 V91 A96 A97E89-S93 WeakPolarHBondContact O-CB 3.45Å; E89-S93 PolarHBondContact O-N 3.4Å; N90-S93 PolarHBondContact O-N 2.94Å; V91-S93 VanDerWaalsContact C-N 3.34Å; S93-A96 PolarHBondContact O-N 2.96Å; S93-A97 WeakPolarHBondContact O-CB 3.05Å; S93-A97 PolarHBondContact O-N 3.5Å
94I80Confident81.1Confident26 Ų2676.4 Ų76.413%0.13341%0.407CS..Hα-helixtrans-60.7-48.8173.3-66.8164.3000110.9L60 L63 C67 N90 V91 A96 A97 C98L60-I94 HydrophobicContact CD1-CG2 4.22Å; L63-I94 HydrophobicContact CB-CG1 4.1Å; L63-I94 VanDerWaalsContact CD2-CA 3.49Å; L63-I94 HydrophobicContact CD2-CB 3.99Å; L63-I94 HydrophobicContact CD2-CG1 3.38Å; L63-I94 HydrophobicContact CG-CB 4.49Å; L63-I94 HydrophobicContact CG-CD1 4.29Å; L63-I94 HydrophobicContact CG-CG1 3.38Å; C67-I94 HydrophobicContact CB-CD1 3.36Å; N90-I94 WeakPolarHBondContact O-CG1 3.26Å; N90-I94 PolarHBondContact O-N 2.96Å; V91-I94 PolarHBondContact O-N 3.34Å; I94-A96 VanDerWaalsContact C-N 3.35Å; I94-A96 PolarHBondContact O-N 2.99Å; I94-A97 PolarHBondContact O-N 3.1Å; I94-C98 WeakPolarHBondContact O-CB 3.41Å; I94-C98 PolarHBondContact O-N 3.26Å; I94-C98 PolarHBondContact O-SG 2.94Å
95S78.4Confident81.4Confident52 Ų5277.5 Ų77.536%0.36441%0.41SS..Hα-helixtrans-58.6-48.1-179.3-1720000111V91 L92 C98 H99V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.3Å; L92-S95 PolarHBondContact O-N 2.98Å; S95-C98 PolarHBondContact O-N 3.23Å; S95-H99 WeakPolarHBondContact O-CB 3.32Å; S95-H99 PolarHBondContact O-CD2 3.24Å; S95-H99 PolarHBondContact O-N 3.46Å
96A83.7Confident81.6Confident59 Ų5978.8 Ų78.849%0.48841%0.414SS..Hα-helixtrans-60.9-46.7177.600000112.1L92 S93 I94 C98 H99 E100L92-A96 WeakPolarHBondContact O-CB 3.28Å; L92-A96 PolarHBondContact O-N 3.46Å; S93-A96 PolarHBondContact O-N 2.96Å; I94-A96 VanDerWaalsContact C-N 3.35Å; I94-A96 PolarHBondContact O-N 2.99Å; A96-C98 VanDerWaalsContact C-N 3.32Å; A96-C98 PolarHBondContact O-N 3.36Å; A96-H99 PolarHBondContact O-N 3.38Å; A96-E100 WeakPolarHBondContact O-CB 3.33Å; A96-E100 PolarHBondContact O-N 3Å
97A82Confident81.7Confident18 Ų1878.2 Ų78.215%0.14942%0.416CS..Hα-helixtrans-62.8-38177.700000112.3L63 S93 I94 R101L63-A97 HydrophobicContact CD2-CB 4.26Å; S93-A97 WeakPolarHBondContact O-CB 3.05Å; S93-A97 PolarHBondContact O-N 3.5Å; I94-A97 PolarHBondContact O-N 3.1Å; A97-R101 WeakPolarHBondContact O-CD 3.46Å; A97-R101 WeakPolarHBondContact O-CG 3.47Å; A97-R101 PolarHBondContact O-N 3.07Å; A97-R101 PolarHBondContact O-NE 2.86Å
98C80.2Confident81.9Confident43 Ų4377.5 Ų77.529%0.29142%0.417SS..Hα-helixtrans-65.2-46.5173.6-750000111.5L60 I94 S95 A96 R101 V102L60-C98 VanDerWaalsContact CD1-SG 3.58Å; I94-C98 WeakPolarHBondContact O-CB 3.41Å; I94-C98 PolarHBondContact O-N 3.26Å; I94-C98 PolarHBondContact O-SG 2.94Å; S95-C98 PolarHBondContact O-N 3.23Å; A96-C98 VanDerWaalsContact C-N 3.32Å; A96-C98 PolarHBondContact O-N 3.36Å; C98-R101 PolarHBondContact O-N 2.73Å; C98-V102 WeakPolarHBondContact O-CG2 3.37Å; C98-V102 PolarHBondContact O-N 2.97Å
99H78.1Confident82Confident114 Ų11484 Ų8453%0.52843%0.434SS..Hα-helixtrans-60.3-51.2178.7-88.6-69.3000112S95 A96 R101 V102 D103S95-H99 WeakPolarHBondContact O-CB 3.32Å; S95-H99 PolarHBondContact O-CD2 3.24Å; S95-H99 PolarHBondContact O-N 3.46Å; A96-H99 PolarHBondContact O-N 3.38Å; H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-V102 PolarHBondContact O-N 3.38Å; H99-V102 VanDerWaalsContact O-N 3.12Å; H99-D103 WeakPolarHBondContact O-CB 3.2Å; H99-D103 PolarHBondContact O-N 3.22Å
100E84.3Confident81.9Confident144 Ų14480.7 Ų80.767%0.67343%0.427SS*.Hα-helixtrans-56.4-41.3179.4-174.3-178.6-174.900111.9A96 D103 H104A96-E100 WeakPolarHBondContact O-CB 3.33Å; A96-E100 PolarHBondContact O-N 3Å; E100-D103 PolarHBondContact O-N 3.19Å; E100-H104 VanDerWaalsContact O-CB 3.31Å; E100-H104 WeakPolarHBondContact O-CB 3.44Å; E100-H104 PolarHBondContact O-N 2.96Å
101R81.3Confident82.1Confident80 Ų8084.5 Ų84.530%0.30245%0.447SS..Hα-helixtrans-68.6-41.6178.2-68.2167.4-159.3-152.21.9112.5E56 S59 A97 C98 H99 H105E56-R101 PolarHBondContact O-NH1 2.95Å; S59-R101 PolarHBondContact OG-NH1 3.04Å; S59-R101 PolarHBondContact OG-NH2 3.47Å; A97-R101 WeakPolarHBondContact O-CD 3.46Å; A97-R101 WeakPolarHBondContact O-CG 3.47Å; A97-R101 PolarHBondContact O-N 3.07Å; A97-R101 PolarHBondContact O-NE 2.86Å; C98-R101 PolarHBondContact O-N 2.73Å; H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; R101-H105 WeakPolarHBondContact O-CB 3.46Å; R101-H105 PolarHBondContact O-N 2.97Å
102V78.3Confident82.3Confident79 Ų7986.3 Ų86.348%0.47946%0.455SS..Hα-helixtrans-63.2-46.2176.2169.60000109.9C98 H99 H104 H105 L106C98-V102 WeakPolarHBondContact O-CG2 3.37Å; C98-V102 PolarHBondContact O-N 2.97Å; H99-V102 PolarHBondContact O-N 3.38Å; H99-V102 VanDerWaalsContact O-N 3.12Å; V102-H104 PolarHBondContact O-N 2.91Å; V102-H105 PolarHBondContact O-N 3.42Å; V102-L106 HydrophobicContact CG1-CD1 3.83Å; V102-L106 HydrophobicContact CG1-CG 4.26Å; V102-L106 WeakPolarHBondContact O-CB 3.25Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.18Å
103D84Confident82Confident85 Ų8582.7 Ų82.746%0.45544%0.443SS..Hα-helixtrans-62.2-45178.9-70.1-19.8000111.1H99 E100 H105 L106 L107H99-D103 WeakPolarHBondContact O-CB 3.2Å; H99-D103 PolarHBondContact O-N 3.22Å; E100-D103 PolarHBondContact O-N 3.19Å; D103-H105 VanDerWaalsContact C-N 3.34Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-L106 PolarHBondContact O-N 2.93Å; D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 WeakPolarHBondContact O-CG 3.31Å; D103-L107 PolarHBondContact O-N 2.91Å
104H84.8Confident81.8Confident126 Ų12683.5 Ų83.558%0.58345%0.447SS*.Hα-helixtrans-59.2-44.7175.7-172.469.7000112.1E100 V102 L107 Q108E100-H104 VanDerWaalsContact O-CB 3.31Å; E100-H104 WeakPolarHBondContact O-CB 3.44Å; E100-H104 PolarHBondContact O-N 2.96Å; V102-H104 PolarHBondContact O-N 2.91Å; H104-L107 PolarHBondContact O-N 3.25Å; H104-Q108 WeakPolarHBondContact O-CB 3.39Å; H104-Q108 PolarHBondContact O-N 3.02Å
105H83.4Confident81.9Confident99 Ų9985.7 Ų85.746%0.45847%0.465SS..Hα-helixtrans-67-38177.8179.1-93.2000112.5R101 V102 D103 R109R101-H105 WeakPolarHBondContact O-CB 3.46Å; R101-H105 PolarHBondContact O-N 2.97Å; V102-H105 PolarHBondContact O-N 3.42Å; D103-H105 VanDerWaalsContact C-N 3.34Å; D103-H105 PolarHBondContact O-N 3.34Å; H105-R109 WeakPolarHBondContact CE1-CD 3.36Å; H105-R109 WeakPolarHBondContact O-CG 3.4Å; H105-R109 PolarHBondContact O-N 3.24Å
106L81.2Confident81.9Confident98 Ų9887.2 Ų87.251%0.51347%0.472SS..Hα-helixtrans-66.7-42.4176.1-72.3175.2000111.7V102 D103 R109 A110V102-L106 HydrophobicContact CG1-CD1 3.83Å; V102-L106 HydrophobicContact CG1-CG 4.26Å; V102-L106 WeakPolarHBondContact O-CB 3.25Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.18Å; D103-L106 PolarHBondContact O-N 2.93Å; L106-R109 PolarHBondContact O-N 3.09Å; L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 2.94Å
107L84.3Confident81.8Confident113 Ų11389.3 Ų89.359%0.59247%0.474SS*.Hα-helixtrans-61.8-47.6174.8-73.6170000111.3D103 H104 R109 A110 D111D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 WeakPolarHBondContact O-CG 3.31Å; D103-L107 PolarHBondContact O-N 2.91Å; H104-L107 PolarHBondContact O-N 3.25Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.22Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 3.31Å; L107-A110 VanDerWaalsContact O-N 3.07Å; L107-D111 PolarHBondContact O-N 3.27Å
108Q84.7Confident81.8Confident76 Ų7692.2 Ų92.236%0.35549%0.493SS..Hα-helixtrans-57.8-43.4176.4-179.516442.200111.9H104 A110 D111 D112H104-Q108 WeakPolarHBondContact O-CB 3.39Å; H104-Q108 PolarHBondContact O-N 3.02Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 2.85Å; Q108-D111 PolarHBondContact O-N 3.31Å; Q108-D112 PolarHBondContact O-N 3.4Å
109R81.7Confident81.9Confident159 Ų15993.7 Ų93.760%0.650%0.504SS*.Hα-helixtrans-66.7-33.5176.4-75.7-170.769.8-179.25113.2H105 L106 L107 A113H105-R109 WeakPolarHBondContact CE1-CD 3.36Å; H105-R109 WeakPolarHBondContact O-CG 3.4Å; H105-R109 PolarHBondContact O-N 3.24Å; L106-R109 PolarHBondContact O-N 3.09Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.22Å; R109-A113 WeakPolarHBondContact O-CB 3.41Å; R109-A113 PolarHBondContact O-N 3.2Å
110A83.1Confident81.9Confident49 Ų4997.1 Ų97.141%0.40551%0.512SS..Hα-helixtrans-66.2-43.4174.900000110.8L106 L107 Q108 A113 C114L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 2.94Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 3.31Å; L107-A110 VanDerWaalsContact O-N 3.07Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 2.85Å; A110-A113 PolarHBondContact O-N 2.94Å; A110-C114 WeakPolarHBondContact O-CB 3.28Å; A110-C114 PolarHBondContact O-N 3.41Å; A110-C114 PolarHBondContact O-SG 2.94Å
111D84.1Confident81.8Confident112 Ų11293.7 Ų93.760%0.59950%0.504SS*.Hα-helixtrans-63.4-44.3176.3-71.4-24.7000112.1L107 Q108 A113 C114 S115L107-D111 PolarHBondContact O-N 3.27Å; Q108-D111 PolarHBondContact O-N 3.31Å; D111-A113 VanDerWaalsContact C-N 3.34Å; D111-A113 PolarHBondContact O-N 2.9Å; D111-C114 PolarHBondContact O-N 3.45Å; D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 2.89Å
112D82.8Confident82.1Confident95 Ų9593.8 Ų93.851%0.50852%0.517SS..Hα-helixtrans-60.1-44.3175.1-72.7-23.9000111.3Q108 S115 V116Q108-D112 PolarHBondContact O-N 3.4Å; D112-S115 PolarHBondContact O-N 2.86Å; D112-V116 WeakPolarHBondContact O-CG2 3.35Å; D112-V116 PolarHBondContact O-N 2.88Å
113A77.7Confident82.4Confident48 Ų4892 Ų9240%0.39751%0.51SS..Hα-helixtrans-63.1-44.2176.900000111.7R109 A110 D111 S115 V116 I117R109-A113 WeakPolarHBondContact O-CB 3.41Å; R109-A113 PolarHBondContact O-N 3.2Å; A110-A113 PolarHBondContact O-N 2.94Å; D111-A113 VanDerWaalsContact C-N 3.34Å; D111-A113 PolarHBondContact O-N 2.9Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 3.27Å; A113-V116 PolarHBondContact O-N 3.46Å; A113-I117 WeakPolarHBondContact O-CB 3.29Å; A113-I117 WeakPolarHBondContact O-CD1 3.34Å; A113-I117 WeakPolarHBondContact O-CG1 3.35Å; A113-I117 PolarHBondContact O-N 3.28Å
114C80.8Confident82.5Confident78 Ų7890.5 Ų90.553%0.52751%0.51SS..Hα-helixtrans-60.8-42.5175.1-74.90000111.9A110 D111 I117 S118A110-C114 WeakPolarHBondContact O-CB 3.28Å; A110-C114 PolarHBondContact O-N 3.41Å; A110-C114 PolarHBondContact O-SG 2.94Å; D111-C114 PolarHBondContact O-N 3.45Å; C114-I117 PolarHBondContact O-N 3.05Å; C114-S118 VanDerWaalsContact O-CB 3.29Å; C114-S118 WeakPolarHBondContact O-CB 3.33Å; C114-S118 PolarHBondContact O-N 3.32Å
115S82.2Confident82.7Confident72 Ų7287.1 Ų87.150%0.50350%0.504SS..Hα-helixtrans-61.8-44.8176.1-179.40000112D111 D112 A113 S118 S119D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 2.89Å; D112-S115 PolarHBondContact O-N 2.86Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 3.27Å; S115-S118 PolarHBondContact O-N 2.91Å; S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 3.43Å; S115-S119 PolarHBondContact O-OG 2.89Å
116V78.2Confident82.9Confident84 Ų8485.2 Ų85.251%0.50951%0.505SS..Hα-helixtrans-63.5-43.6175.7171.10000111.2D112 A113 S119 R120D112-V116 WeakPolarHBondContact O-CG2 3.35Å; D112-V116 PolarHBondContact O-N 2.88Å; A113-V116 PolarHBondContact O-N 3.46Å; V116-S119 PolarHBondContact O-N 3.42Å; V116-R120 WeakPolarHBondContact O-CB 3.44Å; V116-R120 VanDerWaalsContact O-CG 3.25Å; V116-R120 WeakPolarHBondContact O-CG 3.33Å; V116-R120 PolarHBondContact O-N 3.12Å
117I80.1Confident83.3Confident104 Ų10489.3 Ų89.353%0.53351%0.514SS..Hα-helixtrans-64.3-44.8177.8-69.3164.5000110.8A113 C114 R120 S121A113-I117 WeakPolarHBondContact O-CB 3.29Å; A113-I117 WeakPolarHBondContact O-CD1 3.34Å; A113-I117 WeakPolarHBondContact O-CG1 3.35Å; A113-I117 PolarHBondContact O-N 3.28Å; C114-I117 PolarHBondContact O-N 3.05Å; I117-R120 PolarHBondContact O-N 2.94Å; I117-S121 WeakPolarHBondContact O-CB 3.4Å; I117-S121 PolarHBondContact O-N 2.82Å; I117-S121 PolarHBondContact O-OG 3.39Å
118S83.8Confident83.7Confident78 Ų7890.8 Ų90.855%0.54551%0.513SS..Hα-helixtrans-60.8-47.4177.4-175.60000111.3C114 S115 R120 S121 S122C114-S118 VanDerWaalsContact O-CB 3.29Å; C114-S118 WeakPolarHBondContact O-CB 3.33Å; C114-S118 PolarHBondContact O-N 3.32Å; S115-S118 PolarHBondContact O-N 2.91Å; S118-R120 VanDerWaalsContact C-N 3.34Å; S118-R120 PolarHBondContact O-N 3.28Å; S118-S121 PolarHBondContact O-N 3.4Å; S118-S122 PolarHBondContact O-N 2.84Å
119S80.7Confident84.1Confident74 Ų7490.7 Ų90.752%0.51752%0.52SS..Hα-helixtrans-60.7-41.7176.4-63.30000112.2S115 V116 S122 A123S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 3.43Å; S115-S119 PolarHBondContact O-OG 2.89Å; V116-S119 PolarHBondContact O-N 3.42Å; S119-S122 PolarHBondContact O-N 3.28Å; S119-A123 WeakPolarHBondContact O-CB 3.29Å; S119-A123 PolarHBondContact O-N 2.9Å
120R77.9Confident84.7Confident187 Ų18788.2 Ų88.271%0.70652%0.518SS*.Hα-helixtrans-65.2-40.9175.6-75.3177.469.9179.91.9112.2V116 I117 S118 A123 A124V116-R120 WeakPolarHBondContact O-CB 3.44Å; V116-R120 VanDerWaalsContact O-CG 3.25Å; V116-R120 WeakPolarHBondContact O-CG 3.33Å; V116-R120 PolarHBondContact O-N 3.12Å; I117-R120 PolarHBondContact O-N 2.94Å; S118-R120 VanDerWaalsContact C-N 3.34Å; S118-R120 PolarHBondContact O-N 3.28Å; R120-A123 PolarHBondContact O-N 3.25Å; R120-A124 WeakPolarHBondContact O-CB 3.28Å; R120-A124 PolarHBondContact O-N 2.99Å
121S83Confident85.3Confident72 Ų7294.9 Ų94.950%0.50353%0.533SS..Hα-helixtrans-65.2-42.3176.3-65.50000111.7I117 S118 A124 A125I117-S121 WeakPolarHBondContact O-CB 3.4Å; I117-S121 PolarHBondContact O-N 2.82Å; I117-S121 PolarHBondContact O-OG 3.39Å; S118-S121 PolarHBondContact O-N 3.4Å; S121-A124 PolarHBondContact O-N 3.39Å; S121-A125 PolarHBondContact O-N 2.91Å
122S87.1Confident85.9Confident82 Ų8293.7 Ų93.757%0.57352%0.523SS*.Hα-helixtrans-61.6-46.6174.5-178.50000111.8S118 S119 A124 A125 A126S118-S122 PolarHBondContact O-N 2.84Å; S119-S122 PolarHBondContact O-N 3.28Å; S122-A124 VanDerWaalsContact C-N 3.31Å; S122-A124 PolarHBondContact O-N 3.48Å; S122-A125 PolarHBondContact O-N 3.42Å; S122-A126 PolarHBondContact O-N 2.98Å
123A85.1Confident86.5Confident40 Ų4091.2 Ų91.233%0.33152%0.515SS..Hα-helixtrans-62.5-37.1175.800000112.5S119 R120 R127S119-A123 WeakPolarHBondContact O-CB 3.29Å; S119-A123 PolarHBondContact O-N 2.9Å; R120-A123 PolarHBondContact O-N 3.25Å; A123-R127 VanDerWaalsContact O-CG 3.31Å; A123-R127 WeakPolarHBondContact O-CG 3.49Å; A123-R127 PolarHBondContact O-N 3.43Å
124A86.1Confident87.4Confident54 Ų5493.2 Ų93.245%0.44652%0.519SS..Hα-helixtrans-65.7-43.4174.800000111.9R120 S121 S122 R127 Y128R120-A124 WeakPolarHBondContact O-CB 3.28Å; R120-A124 PolarHBondContact O-N 2.99Å; S121-A124 PolarHBondContact O-N 3.39Å; S122-A124 VanDerWaalsContact C-N 3.31Å; S122-A124 PolarHBondContact O-N 3.48Å; A124-R127 PolarHBondContact O-N 2.99Å; A124-Y128 PolarHBondContact O-N 3.33Å
125A88.7Confident88.1Confident55 Ų5594 Ų9446%0.45552%0.515SS..Hα-helixtrans-61.5-44.9175.100000111.6S121 S122 R127 Y128 S129S121-A125 PolarHBondContact O-N 2.91Å; S122-A125 PolarHBondContact O-N 3.42Å; A125-R127 VanDerWaalsContact C-N 3.35Å; A125-R127 PolarHBondContact O-N 3.34Å; A125-Y128 PolarHBondContact O-N 3.49Å; A125-S129 PolarHBondContact O-N 2.89Å; A125-S129 PolarHBondContact O-OG 2.98Å
126A88.1Confident88.8Confident60 Ų6096.6 Ų96.650%0.49652%0.522SS..Hα-helixtrans-59.9-42.8176.400000112.3S122 S129 L130S122-A126 PolarHBondContact O-N 2.98Å; A126-S129 PolarHBondContact O-N 3.14Å; A126-L130 WeakPolarHBondContact O-CB 3.4Å; A126-L130 PolarHBondContact O-N 3.33Å
127R89.7Confident89.6Confident183 Ų18398.5 Ų98.569%0.69153%0.525SS*.Hα-helixtrans-63.5-40.6175.1-73.9174.5-172.4152.32.4112.5A123 A124 A125 L130 R131A123-R127 VanDerWaalsContact O-CG 3.31Å; A123-R127 WeakPolarHBondContact O-CG 3.49Å; A123-R127 PolarHBondContact O-N 3.43Å; A124-R127 PolarHBondContact O-N 2.99Å; A125-R127 VanDerWaalsContact C-N 3.35Å; A125-R127 PolarHBondContact O-N 3.34Å; R127-L130 PolarHBondContact O-N 2.97Å; R127-R131 WeakPolarHBondContact O-CB 3.41Å; R127-R131 PolarHBondContact O-N 2.9Å
128Y92.3Very high90.4Very high144 Ų14497.7 Ų97.757%0.56552%0.522SS*.Hα-helixtrans-63-46.7176.3177.8-96.8000111.2A124 A125 L130 R131 K132A124-Y128 PolarHBondContact O-N 3.33Å; A125-Y128 PolarHBondContact O-N 3.49Å; Y128-L130 PolarHBondContact O-N 3.04Å; Y128-R131 PolarHBondContact O-N 3.02Å; Y128-K132 HydrophobicContact CE1-CG 4.02Å; Y128-K132 HydrophobicContact CE2-CG 4.46Å; Y128-K132 PolarHBondContact O-N 3Å; Y128-K132 WeakPolarHBondContact OH-CE 3.47Å
129S92.8Very high91Very high74 Ų7498.8 Ų98.852%0.51752%0.518SS..Hα-helixtrans-59.8-43.8176.1-61.50000112.2A125 A126 R131 K132 A133A125-S129 PolarHBondContact O-N 2.89Å; A125-S129 PolarHBondContact O-OG 2.98Å; A126-S129 PolarHBondContact O-N 3.14Å; S129-R131 PolarHBondContact O-N 3.15Å; S129-K132 PolarHBondContact O-N 3.41Å; S129-A133 PolarHBondContact O-N 2.82Å
130L94.4Very high91.7Very high107 Ų10799 Ų9956%0.5652%0.517SS*.Hα-helixtrans-61.8-44.6176.2179.562.5000111.8A126 R127 Y128 K132 A133 L134A126-L130 WeakPolarHBondContact O-CB 3.4Å; A126-L130 PolarHBondContact O-N 3.33Å; R127-L130 PolarHBondContact O-N 2.97Å; Y128-L130 PolarHBondContact O-N 3.04Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.94Å; L130-A133 PolarHBondContact O-N 3.34Å; L130-L134 HydrophobicContact CD1-CD1 4.36Å; L130-L134 HydrophobicContact CD1-CG 4.32Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CG 3.26Å; L130-L134 PolarHBondContact O-N 2.85Å
131R95.9Very high92.6Very high189 Ų18995.2 Ų95.271%0.71351%0.511SS*.Hα-helixtrans-59.4-40.8176.8-175178.3-179.9-177.10.6111.4R127 Y128 S129 E135R127-R131 WeakPolarHBondContact O-CB 3.41Å; R127-R131 PolarHBondContact O-N 2.9Å; Y128-R131 PolarHBondContact O-N 3.02Å; S129-R131 PolarHBondContact O-N 3.15Å; R131-E135 WeakPolarHBondContact O-CB 3.37Å; R131-E135 PolarHBondContact O-N 2.86Å
132K96.7Very high93.3Very high87 Ų8797 Ų9738%0.37851%0.51SS..Hα-helixtrans-66.9-40.6176.7-80.8-73.3167.8-156.90112.6Y128 S129 L130 E135 I136Y128-K132 HydrophobicContact CE1-CG 4.02Å; Y128-K132 HydrophobicContact CE2-CG 4.46Å; Y128-K132 PolarHBondContact O-N 3Å; Y128-K132 WeakPolarHBondContact OH-CE 3.47Å; S129-K132 PolarHBondContact O-N 3.41Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.94Å; K132-E135 IonicContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact NZ-OE2 3.35Å; K132-E135 PolarHBondContact O-N 2.86Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 2.82Å; K132-I136 VanDerWaalsContact O-N 3.1Å
133A95.4Very high93.7Very high43 Ų4398.2 Ų98.236%0.35551%0.509SS..Hα-helixtrans-61.6-47.4174.700000111.6S129 L130 E135 I136 E137S129-A133 PolarHBondContact O-N 2.82Å; L130-A133 PolarHBondContact O-N 3.34Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.22Å; A133-I136 WeakPolarHBondContact O-CB 3.32Å; A133-I136 PolarHBondContact O-N 3.4Å; A133-I136 VanDerWaalsContact O-N 3.14Å; A133-E137 PolarHBondContact O-N 3.35Å
134L96.7Very high94.3Very high91 Ų91102.5 Ų102.548%0.47652%0.522SS..Hα-helixtrans-63.5-36.7177.2-69.9173.7000112.7L130 I136 E137 L138L130-L134 HydrophobicContact CD1-CD1 4.36Å; L130-L134 HydrophobicContact CD1-CG 4.32Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CG 3.26Å; L130-L134 PolarHBondContact O-N 2.85Å; L134-I136 VanDerWaalsContact C-N 3.32Å; L134-I136 PolarHBondContact O-N 3.05Å; L134-E137 PolarHBondContact O-N 3.33Å; L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 PolarHBondContact O-N 3.23Å
135E95.8Very high94.8Very high95 Ų95104.7 Ų104.744%0.44452%0.523SS..Hα-helixtrans-61.5-41.8174.4-172.8174.1-157.600111.1R131 K132 A133 L138 E139R131-E135 WeakPolarHBondContact O-CB 3.37Å; R131-E135 PolarHBondContact O-N 2.86Å; K132-E135 IonicContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact NZ-OE2 3.35Å; K132-E135 PolarHBondContact O-N 2.86Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.22Å; E135-L138 PolarHBondContact O-N 3.46Å; E135-E139 PolarHBondContact O-N 3.47Å
136I96.1Very high95.3Very high125 Ų125106.5 Ų106.564%0.64152%0.522SS*.Hα-helixtrans-65.9-40.3176-66.6164.4000111.5K132 A133 L134 P140K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 2.82Å; K132-I136 VanDerWaalsContact O-N 3.1Å; A133-I136 WeakPolarHBondContact O-CB 3.32Å; A133-I136 PolarHBondContact O-N 3.4Å; A133-I136 VanDerWaalsContact O-N 3.14Å; L134-I136 VanDerWaalsContact C-N 3.32Å; L134-I136 PolarHBondContact O-N 3.05Å; I136-P140 WeakPolarHBondContact O-CD 3.41Å
137E95.3Very high95.7Very high124 Ų124108.3 Ų108.358%0.57952%0.52SS*.Hα-helixtrans-71-28.2178.1-72.2178.8178.300113.3A133 L134 P140A133-E137 PolarHBondContact O-N 3.35Å; L134-E137 PolarHBondContact O-N 3.33Å; E137-P140 WeakPolarHBondContact O-CD 3.42Å; E137-P140 VanDerWaalsContact O-CG 3.28Å; E137-P140 WeakPolarHBondContact O-CG 3.47Å
138L97.1Very high96.1Very high88 Ų88101.3 Ų101.346%0.46150%0.502SS..Hα-helixtrans-79.9-29.1-176.6-169.1116.1000113L134 E135 L141 K142L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 PolarHBondContact O-N 3.23Å; E135-L138 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 2.83Å; L138-K142 HydrophobicContact CD2-CD 4.16Å; L138-K142 HydrophobicContact CD2-CG 4.44Å; L138-K142 WeakPolarHBondContact O-CG 3.35Å; L138-K142 PolarHBondContact O-N 2.96Å
139E95.3Very high96.3Very high100 Ų10098.4 Ų98.447%0.46749%0.493SS..Hα-helixtrans-59.5-48.7177-73.1-58.4117.100114.6E135 L141 K142 L143E135-E139 PolarHBondContact O-N 3.47Å; E139-L141 VanDerWaalsContact C-N 3.31Å; E139-L141 PolarHBondContact O-N 3.2Å; E139-K142 PolarHBondContact O-N 2.93Å; E139-K142 IonicContact OE1-NZ 2.74Å; E139-K142 PolarHBondContact OE1-NZ 2.94Å; E139-L143 PolarHBondContact O-N 2.78Å; E139-L143 VanDerWaalsContact O-N 3.12Å
140P96.2Very high96.6Very high78 Ų78100.9 Ų100.951%0.50649%0.491SS..Hα-helixtrans-64.5-35.5176.524.6-33.7000112.4I136 E137 K142 L143 E144I136-P140 WeakPolarHBondContact O-CD 3.41Å; E137-P140 WeakPolarHBondContact O-CD 3.42Å; E137-P140 VanDerWaalsContact O-CG 3.28Å; E137-P140 WeakPolarHBondContact O-CG 3.47Å; P140-K142 PolarHBondContact O-N 3.33Å; P140-L143 PolarHBondContact O-N 3.33Å; P140-E144 WeakPolarHBondContact O-CB 3.32Å; P140-E144 PolarHBondContact O-N 2.9Å
141L96.6Very high96.7Very high108 Ų108101.5 Ų101.557%0.56549%0.491SS*.Hα-helixtrans-64.6-38.8176.7-69.9174.8000112.2L138 E139 H145L138-L141 PolarHBondContact O-N 2.83Å; E139-L141 VanDerWaalsContact C-N 3.31Å; E139-L141 PolarHBondContact O-N 3.2Å; L141-H145 WeakPolarHBondContact O-CB 3.29Å; L141-H145 PolarHBondContact O-N 3.31Å
142K97.3Very high96.7Very high111 Ų11198.8 Ų98.848%0.48348%0.481SS..Hα-helixtrans-62-45.3172.4-75.9173.9177.2160.80111.5L138 E139 P140 H145 E146L138-K142 HydrophobicContact CD2-CD 4.16Å; L138-K142 HydrophobicContact CD2-CG 4.44Å; L138-K142 WeakPolarHBondContact O-CG 3.35Å; L138-K142 PolarHBondContact O-N 2.96Å; E139-K142 PolarHBondContact O-N 2.93Å; E139-K142 IonicContact OE1-NZ 2.74Å; E139-K142 PolarHBondContact OE1-NZ 2.94Å; P140-K142 PolarHBondContact O-N 3.33Å; K142-H145 PolarHBondContact O-N 3.05Å; K142-E146 WeakPolarHBondContact O-CB 3.35Å; K142-E146 PolarHBondContact O-N 2.89Å
143L97Very high96.8Very high107 Ų107100.6 Ų100.656%0.5649%0.491SS*.Hα-helixtrans-64.1-43.4-179.1-166.8102.7000111.4E139 P140 E146 Q147E139-L143 PolarHBondContact O-N 2.78Å; E139-L143 VanDerWaalsContact O-N 3.12Å; P140-L143 PolarHBondContact O-N 3.33Å; L143-E146 PolarHBondContact O-N 3.49Å; L143-Q147 WeakPolarHBondContact O-CB 3.34Å; L143-Q147 PolarHBondContact O-N 2.94Å
144E96.8Very high96.9Very high129 Ų129104.4 Ų104.460%0.60350%0.504SS*.Hα-helixtrans-61.7-44.3176.1-174.7179-179.200111.2P140 Q147 A148P140-E144 WeakPolarHBondContact O-CB 3.32Å; P140-E144 PolarHBondContact O-N 2.9Å; E144-Q147 PolarHBondContact O-N 3.49Å; E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.98Å
145H97.5Very high96.9Very high100 Ų100105.3 Ų105.346%0.46351%0.506SS..Hα-helixtrans-61.3-46.2176-17773.5000112.2L141 K142 Q147 A148 E149L141-H145 WeakPolarHBondContact O-CB 3.29Å; L141-H145 PolarHBondContact O-N 3.31Å; K142-H145 PolarHBondContact O-N 3.05Å; H145-Q147 VanDerWaalsContact C-N 3.32Å; H145-Q147 PolarHBondContact O-N 2.91Å; H145-A148 PolarHBondContact O-N 3.42Å; H145-E149 IonicContact CE1-OE1 2.78Å; H145-E149 IonicContact NE2-OE1 3.87Å; H145-E149 PolarHBondContact NE2-OE1 3.01Å; H145-E149 WeakPolarHBondContact O-CG 3.22Å; H145-E149 PolarHBondContact O-N 3.29Å
146E97.7Very high96.9Very high94 Ų94104.3 Ų104.344%0.43951%0.506SS..Hα-helixtrans-61.7-41.2177.9-164.1-160131.800111.4K142 L143 E149 R150K142-E146 WeakPolarHBondContact O-CB 3.35Å; K142-E146 PolarHBondContact O-N 2.89Å; L143-E146 PolarHBondContact O-N 3.49Å; E146-E149 PolarHBondContact O-N 3.05Å; E146-R150 WeakPolarHBondContact O-CG 3.41Å; E146-R150 PolarHBondContact O-N 3.45Å; E146-R150 IonicContact OE1-CZ 3.28Å; E146-R150 IonicContact OE1-NE 3.36Å; E146-R150 PolarHBondContact OE1-NE 3.49Å; E146-R150 IonicContact OE1-NH2 3.82Å; E146-R150 PolarHBondContact OE1-NH2 3.44Å
147Q97.4Very high97Very high98 Ų98101.5 Ų101.546%0.45850%0.495SS..Hα-helixtrans-65-42.7175.6-177.1173.5-4.200111.9L143 E144 H145 E149 R150 Q151L143-Q147 WeakPolarHBondContact O-CB 3.34Å; L143-Q147 PolarHBondContact O-N 2.94Å; E144-Q147 PolarHBondContact O-N 3.49Å; H145-Q147 VanDerWaalsContact C-N 3.32Å; H145-Q147 PolarHBondContact O-N 2.91Å; Q147-E149 VanDerWaalsContact C-N 3.33Å; Q147-E149 PolarHBondContact O-N 3.38Å; Q147-R150 PolarHBondContact O-N 3.31Å; Q147-Q151 PolarHBondContact O-N 3Å
148A97.3Very high97.1Very high36 Ų36100.6 Ų100.630%0.29849%0.491SS..Hα-helixtrans-64.5-36.4176.200000112E144 H145 R152E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.98Å; H145-A148 PolarHBondContact O-N 3.42Å; A148-R152 WeakPolarHBondContact O-CG 3.44Å; A148-R152 PolarHBondContact O-N 3.08Å; A148-R152 PolarHBondContact O-NE 2.77Å
149E97.6Very high97.1Very high83 Ų83100.1 Ų100.139%0.38849%0.486SS..Hα-helixtrans-64.9-45171.8-76.9-164.6153.400112.5H145 E146 Q147 Q151 R152 Q153H145-E149 IonicContact CE1-OE1 2.78Å; H145-E149 IonicContact NE2-OE1 3.87Å; H145-E149 PolarHBondContact NE2-OE1 3.01Å; H145-E149 WeakPolarHBondContact O-CG 3.22Å; H145-E149 PolarHBondContact O-N 3.29Å; E146-E149 PolarHBondContact O-N 3.05Å; Q147-E149 VanDerWaalsContact C-N 3.33Å; Q147-E149 PolarHBondContact O-N 3.38Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.48Å; E149-R152 VanDerWaalsContact CG-NH2 3.27Å; E149-R152 PolarHBondContact O-N 2.91Å; E149-Q153 WeakPolarHBondContact O-CG 3.32Å; E149-Q153 PolarHBondContact O-N 3.47Å
150R97.6Very high97.2Very high125 Ų125100.8 Ų100.847%0.47249%0.489SS..Hα-helixtrans-59.4-41.7175.3-74.8-170.6-105.2138.6-8.2112E146 Q147 Q153 L154E146-R150 WeakPolarHBondContact O-CG 3.41Å; E146-R150 PolarHBondContact O-N 3.45Å; E146-R150 IonicContact OE1-CZ 3.28Å; E146-R150 IonicContact OE1-NE 3.36Å; E146-R150 PolarHBondContact OE1-NE 3.49Å; E146-R150 IonicContact OE1-NH2 3.82Å; E146-R150 PolarHBondContact OE1-NH2 3.44Å; Q147-R150 PolarHBondContact O-N 3.31Å; R150-Q153 PolarHBondContact O-N 2.98Å; R150-L154 WeakPolarHBondContact O-CG 3.49Å; R150-L154 PolarHBondContact O-N 3.27Å
151Q97.2Very high97.3Very high120 Ų120101.9 Ų101.956%0.56149%0.488SS*.Hα-helixtrans-64.2-43175.8-75.8-178.4-11.400112.5Q147 E149 Q153 L154 Q155Q147-Q151 PolarHBondContact O-N 3Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.48Å; Q151-Q153 VanDerWaalsContact C-N 3.35Å; Q151-Q153 PolarHBondContact O-N 3.34Å; Q151-L154 PolarHBondContact O-N 3.33Å; Q151-Q155 PolarHBondContact O-N 3.1Å
152R97Very high97.3Very high133 Ų133103.1 Ų103.150%0.50249%0.485SS..Hα-helixtrans-61.4-43.1175.3-76-177.1-72.9-172.22.5111.9A148 E149 Q155 V156A148-R152 WeakPolarHBondContact O-CG 3.44Å; A148-R152 PolarHBondContact O-N 3.08Å; A148-R152 PolarHBondContact O-NE 2.77Å; E149-R152 VanDerWaalsContact CG-NH2 3.27Å; E149-R152 PolarHBondContact O-N 2.91Å; R152-Q155 PolarHBondContact O-N 3.23Å; R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 3.02Å
153Q97.2Very high97.3Very high124 Ų124104.6 Ų104.658%0.57949%0.491SS*.Hα-helixtrans-61.9-44.8176.3-72.7174.78.100111.7E149 R150 Q151 Q155 V156 T157E149-Q153 WeakPolarHBondContact O-CG 3.32Å; E149-Q153 PolarHBondContact O-N 3.47Å; R150-Q153 PolarHBondContact O-N 2.98Å; Q151-Q153 VanDerWaalsContact C-N 3.35Å; Q151-Q153 PolarHBondContact O-N 3.34Å; Q153-Q155 VanDerWaalsContact C-N 3.31Å; Q153-Q155 PolarHBondContact O-N 3.28Å; Q153-V156 PolarHBondContact O-N 3.36Å; Q153-T157 PolarHBondContact O-N 2.99Å; Q153-T157 PolarHBondContact O-OG1 2.96Å
154L97.6Very high97.3Very high123 Ų123107 Ų10764%0.64449%0.493SS*.Hα-helixtrans-59.9-41.8175.6-73.7170.9000112.1R150 Q151 T157 H158R150-L154 WeakPolarHBondContact O-CG 3.49Å; R150-L154 PolarHBondContact O-N 3.27Å; Q151-L154 PolarHBondContact O-N 3.33Å; L154-T157 PolarHBondContact O-N 3.43Å; L154-H158 WeakPolarHBondContact O-CB 3.41Å; L154-H158 PolarHBondContact O-N 2.88Å
155Q97.4Very high97.3Very high111 Ų111106.4 Ų106.452%0.51949%0.49SS..Hα-helixtrans-62.3-46.5176.1-177178.8-6.200111.5Q151 R152 Q153 T157 H158 E159Q151-Q155 PolarHBondContact O-N 3.1Å; R152-Q155 PolarHBondContact O-N 3.23Å; Q153-Q155 VanDerWaalsContact C-N 3.31Å; Q153-Q155 PolarHBondContact O-N 3.28Å; Q155-T157 VanDerWaalsContact C-N 3.35Å; Q155-T157 PolarHBondContact O-N 2.95Å; Q155-H158 PolarHBondContact O-N 2.92Å; Q155-E159 HydrophobicContact CG-CG 4.47Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.48Å; Q155-E159 PolarHBondContact NE2-OE1 2.85Å; Q155-E159 WeakPolarHBondContact O-CB 3.3Å; Q155-E159 WeakPolarHBondContact O-CG 3.4Å; Q155-E159 PolarHBondContact O-N 3.38Å
156V97Very high97.3Very high73 Ų73107 Ų10744%0.44249%0.493SS..Hα-helixtrans-61.1-44178170.90000111.1R152 Q153 E159 Q160R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 3.02Å; Q153-V156 PolarHBondContact O-N 3.36Å; V156-E159 PolarHBondContact O-N 3.48Å; V156-Q160 VanDerWaalsContact O-CG 3.3Å; V156-Q160 WeakPolarHBondContact O-CG 3.32Å; V156-Q160 PolarHBondContact O-N 2.7Å
157T97.3Very high97.3Very high66 Ų66107.8 Ų107.841%0.40550%0.5SS..Hα-helixtrans-61.7-45.7176.7-56.60000111.2Q153 L154 Q155 E159 Q160 E161Q153-T157 PolarHBondContact O-N 2.99Å; Q153-T157 PolarHBondContact O-OG1 2.96Å; L154-T157 PolarHBondContact O-N 3.43Å; Q155-T157 VanDerWaalsContact C-N 3.35Å; Q155-T157 PolarHBondContact O-N 2.95Å; T157-E159 PolarHBondContact O-N 3.45Å; T157-Q160 PolarHBondContact O-N 3.03Å; T157-E161 WeakPolarHBondContact O-CG 3.45Å; T157-E161 PolarHBondContact O-N 3.42Å
158H97.8Very high97.3Very high105 Ų105108.4 Ų108.449%0.48650%0.503SS..Hα-helixtrans-62.9-41.3178-177.859.4000112.3L154 Q155 E161 R162L154-H158 WeakPolarHBondContact O-CB 3.41Å; L154-H158 PolarHBondContact O-N 2.88Å; Q155-H158 PolarHBondContact O-N 2.92Å; H158-E161 PolarHBondContact O-N 3.19Å; H158-R162 WeakPolarHBondContact O-CG 3.39Å; H158-R162 PolarHBondContact O-N 2.93Å
159E97.3Very high97.2Very high78 Ų78113.2 Ų113.236%0.36452%0.519SS..Hα-helixtrans-62.9-42.8175-74.7175-171.200111.5Q155 V156 T157 E161 R162 F163Q155-E159 HydrophobicContact CG-CG 4.47Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.48Å; Q155-E159 PolarHBondContact NE2-OE1 2.85Å; Q155-E159 WeakPolarHBondContact O-CB 3.3Å; Q155-E159 WeakPolarHBondContact O-CG 3.4Å; Q155-E159 PolarHBondContact O-N 3.38Å; V156-E159 PolarHBondContact O-N 3.48Å; T157-E159 PolarHBondContact O-N 3.45Å; E159-E161 PolarHBondContact O-N 3.38Å; E159-R162 PolarHBondContact O-N 3Å; E159-F163 WeakPolarHBondContact O-CD2 3.46Å; E159-F163 PolarHBondContact O-N 3.03Å
160Q97.5Very high97.2Very high115 Ų115113.3 Ų113.354%0.53752%0.522SS..Hα-helixtrans-62.4-41.4175.9-74.4177.11.300112.9V156 T157 F163 R164V156-Q160 VanDerWaalsContact O-CG 3.3Å; V156-Q160 WeakPolarHBondContact O-CG 3.32Å; V156-Q160 PolarHBondContact O-N 2.7Å; T157-Q160 PolarHBondContact O-N 3.03Å; Q160-F163 PolarHBondContact O-N 3.34Å; Q160-R164 WeakPolarHBondContact O-CB 3.35Å; Q160-R164 PolarHBondContact O-N 3.46Å
161E96.9Very high97.2Very high101 Ų101111.4 Ų111.447%0.47252%0.524SS..Hα-helixtrans-63.5-46.6175.4-74.8175.717200111T157 H158 E159 F163 R164 E165T157-E161 WeakPolarHBondContact O-CG 3.45Å; T157-E161 PolarHBondContact O-N 3.42Å; H158-E161 PolarHBondContact O-N 3.19Å; E159-E161 PolarHBondContact O-N 3.38Å; E161-F163 PolarHBondContact O-N 3.36Å; E161-R164 WeakPolarHBondContact O-CB 3.39Å; E161-R164 PolarHBondContact O-N 2.88Å; E161-R164 VanDerWaalsContact O-N 3.1Å; E161-E165 WeakPolarHBondContact O-CG 3.45Å; E161-E165 PolarHBondContact O-N 3.07Å
162R96.9Very high97.2Very high134 Ų134110.4 Ų110.451%0.50652%0.522SS..Hα-helixtrans-58.4-45.5175.5-73.9-144.5-59.7-174-1.1112.7H158 E159 R164 E165 E166H158-R162 WeakPolarHBondContact O-CG 3.39Å; H158-R162 PolarHBondContact O-N 2.93Å; E159-R162 PolarHBondContact O-N 3Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.25Å; R162-E165 PolarHBondContact O-N 3.41Å; R162-E166 WeakPolarHBondContact O-CB 3.26Å; R162-E166 WeakPolarHBondContact O-CG 3.4Å; R162-E166 PolarHBondContact O-N 3.26Å
163F97Very high97.2Very high142 Ų142110.3 Ų110.362%0.62353%0.525SS*.Hα-helixtrans-62-35.5176.9-81.4-61.3000112.7E159 Q160 E161 L167E159-F163 WeakPolarHBondContact O-CD2 3.46Å; E159-F163 PolarHBondContact O-N 3.03Å; Q160-F163 PolarHBondContact O-N 3.34Å; E161-F163 PolarHBondContact O-N 3.36Å; F163-L167 WeakPolarHBondContact O-CB 3.42Å; F163-L167 PolarHBondContact O-N 2.95Å
164R97.9Very high97.2Very high158 Ų158112.4 Ų112.460%0.59653%0.528SS*.Hα-helixtrans-66.5-48.2176.2-174.4-169.5-56-101.9-2.1111.2Q160 E161 R162 E166 L167 E168Q160-R164 WeakPolarHBondContact O-CB 3.35Å; Q160-R164 PolarHBondContact O-N 3.46Å; E161-R164 WeakPolarHBondContact O-CB 3.39Å; E161-R164 PolarHBondContact O-N 2.88Å; E161-R164 VanDerWaalsContact O-N 3.1Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.25Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 2.86Å; R164-L167 WeakPolarHBondContact O-CB 3.5Å; R164-L167 PolarHBondContact O-N 2.95Å; R164-E168 WeakPolarHBondContact O-CG 3.31Å; R164-E168 PolarHBondContact O-N 2.81Å
165E96.3Very high97.2Very high115 Ų115111.9 Ų111.954%0.53752%0.522SS..Hα-helixtrans-60.5-43.3177.6-70.4176.4177.600111.6E161 R162 L167 E168 Q169E161-E165 WeakPolarHBondContact O-CG 3.45Å; E161-E165 PolarHBondContact O-N 3.07Å; R162-E165 PolarHBondContact O-N 3.41Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.16Å; E165-E168 PolarHBondContact O-N 2.85Å; E165-Q169 WeakPolarHBondContact O-CG 3.46Å; E165-Q169 PolarHBondContact O-N 2.96Å
166E97.1Very high97.1Very high112 Ų112111 Ų11152%0.52352%0.52SS..Hα-helixtrans-61.5-40.3175.7-75.3178.9-175.400112.1R162 R164 Q169 L170R162-E166 WeakPolarHBondContact O-CB 3.26Å; R162-E166 WeakPolarHBondContact O-CG 3.4Å; R162-E166 PolarHBondContact O-N 3.26Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 2.86Å; E166-Q169 PolarHBondContact O-N 2.81Å; E166-L170 WeakPolarHBondContact O-CB 3.36Å; E166-L170 PolarHBondContact O-N 2.83Å
167L97.3Very high97Very high112 Ų112111.6 Ų111.659%0.58652%0.521SS*.Hα-helixtrans-66.1-43.6176.1-174.167.8000111.6F163 R164 E165 L170 V171F163-L167 WeakPolarHBondContact O-CB 3.42Å; F163-L167 PolarHBondContact O-N 2.95Å; R164-L167 WeakPolarHBondContact O-CB 3.5Å; R164-L167 PolarHBondContact O-N 2.95Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.16Å; L167-L170 WeakPolarHBondContact O-CB 3.21Å; L167-L170 PolarHBondContact O-N 2.68Å; L167-V171 WeakPolarHBondContact O-CG2 3.11Å; L167-V171 PolarHBondContact O-N 2.9Å
168E97.2Very high96.9Very high111 Ų111113.1 Ų113.152%0.51953%0.529SS..Hα-helixtrans-61.5-44175.9-74.7175.8-16800111.5R164 E165 L170 V171 L172R164-E168 WeakPolarHBondContact O-CG 3.31Å; R164-E168 PolarHBondContact O-N 2.81Å; E165-E168 PolarHBondContact O-N 2.85Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 3.34Å; E168-V171 PolarHBondContact O-N 3.08Å; E168-L172 WeakPolarHBondContact O-CG 3.29Å; E168-L172 PolarHBondContact O-N 3.29Å
169Q97Very high96.8Very high137 Ų137112.4 Ų112.464%0.6453%0.529SS*.Hα-helixtrans-61.2-40174.3-74.7-173.111.900112.2E165 E166 V171 L172 K173E165-Q169 WeakPolarHBondContact O-CG 3.46Å; E165-Q169 PolarHBondContact O-N 2.96Å; E166-Q169 PolarHBondContact O-N 2.81Å; Q169-V171 VanDerWaalsContact C-N 3.34Å; Q169-L172 PolarHBondContact O-N 2.84Å; Q169-K173 VanDerWaalsContact O-CB 3.29Å; Q169-K173 WeakPolarHBondContact O-CB 3.46Å; Q169-K173 PolarHBondContact O-N 3.34Å
170L97.7Very high96.6Very high85 Ų85111.7 Ų111.745%0.44553%0.527SS..Hα-helixtrans-65.1-38.9177-171.472.2000111.8E166 L167 E168 R174E166-L170 WeakPolarHBondContact O-CB 3.36Å; E166-L170 PolarHBondContact O-N 2.83Å; L167-L170 WeakPolarHBondContact O-CB 3.21Å; L167-L170 PolarHBondContact O-N 2.68Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 3.34Å; L170-R174 WeakPolarHBondContact O-CG 3.44Å; L170-R174 PolarHBondContact O-N 2.96Å; L170-R174 VanDerWaalsContact O-N 3.11Å
171V97.4Very high96.3Very high85 Ų85111.6 Ų111.652%0.51553%0.527SS..Hα-helixtrans-65.6-49.9176.2171.80000110.6L167 E168 Q169 K173 R174 E175L167-V171 WeakPolarHBondContact O-CG2 3.11Å; L167-V171 PolarHBondContact O-N 2.9Å; E168-V171 PolarHBondContact O-N 3.08Å; Q169-V171 VanDerWaalsContact C-N 3.34Å; V171-K173 VanDerWaalsContact C-N 3.28Å; V171-K173 PolarHBondContact O-N 3.3Å; V171-R174 PolarHBondContact O-N 2.67Å; V171-R174 VanDerWaalsContact O-N 3.14Å; V171-E175 PolarHBondContact O-N 3.01Å
172L96.5Very high96.1Very high99 Ų99112 Ų11252%0.51853%0.529SS..Hα-helixtrans-58.6-41.4177-73.6171.3000111.7E168 Q169 R174 E175 I176E168-L172 WeakPolarHBondContact O-CG 3.29Å; E168-L172 PolarHBondContact O-N 3.29Å; Q169-L172 PolarHBondContact O-N 2.84Å; L172-R174 PolarHBondContact O-N 3.29Å; L172-E175 PolarHBondContact O-N 2.86Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 3.5Å
173K97.4Very high95.6Very high130 Ų130110.3 Ų110.357%0.56553%0.527SS*.Hα-helixtrans-60.4-44.9176.2-175.8175-179.51780112Q169 V171 E175 I176 D177Q169-K173 VanDerWaalsContact O-CB 3.29Å; Q169-K173 WeakPolarHBondContact O-CB 3.46Å; Q169-K173 PolarHBondContact O-N 3.34Å; V171-K173 VanDerWaalsContact C-N 3.28Å; V171-K173 PolarHBondContact O-N 3.3Å; K173-E175 VanDerWaalsContact C-N 3.31Å; K173-E175 PolarHBondContact O-N 3.14Å; K173-I176 PolarHBondContact O-N 3.49Å; K173-D177 VanDerWaalsContact O-CG 3.23Å; K173-D177 PolarHBondContact O-N 2.91Å
174R96.5Very high95.2Very high168 Ų168111.1 Ų111.163%0.63453%0.526SS*.Hα-helixtrans-63.3-38.3176.3-73.8179.4-175.7-158.42.2112.2L170 V171 L172 D177 V178L170-R174 WeakPolarHBondContact O-CG 3.44Å; L170-R174 PolarHBondContact O-N 2.96Å; L170-R174 VanDerWaalsContact O-N 3.11Å; V171-R174 PolarHBondContact O-N 2.67Å; V171-R174 VanDerWaalsContact O-N 3.14Å; L172-R174 PolarHBondContact O-N 3.29Å; R174-D177 PolarHBondContact O-N 3.12Å; R174-V178 WeakPolarHBondContact O-CG2 3.4Å; R174-V178 PolarHBondContact O-N 2.9Å
175E97.2Very high94.5Very high112 Ų112106.1 Ų106.152%0.52352%0.515SS..Hα-helixtrans-64.8-43.9177.4-172.1170.1-166.500111.2V171 L172 K173 V178 L179V171-E175 PolarHBondContact O-N 3.01Å; L172-E175 PolarHBondContact O-N 2.86Å; K173-E175 VanDerWaalsContact C-N 3.31Å; K173-E175 PolarHBondContact O-N 3.14Å; E175-V178 PolarHBondContact O-N 2.81Å; E175-L179 HydrophobicContact CG-CD1 4.47Å; E175-L179 WeakPolarHBondContact O-CG 3.35Å; E175-L179 PolarHBondContact O-N 2.66Å
176I95.4Very high93.9Very high92 Ų92104.9 Ų104.947%0.47251%0.511SS..Hα-helixtrans-60.1-47.5172.8-66.3164.9000110.7L172 K173 V178 L179 D180L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 3.5Å; K173-I176 PolarHBondContact O-N 3.49Å; I176-V178 PolarHBondContact O-N 2.85Å; I176-L179 PolarHBondContact O-N 3.41Å; I176-L179 VanDerWaalsContact O-N 3.09Å; I176-D180 WeakPolarHBondContact O-CB 3.48Å; I176-D180 PolarHBondContact O-N 3.15Å
177D95.5Very high92.8Very high87 Ų87106.7 Ų106.747%0.46551%0.514SS..Hα-helixtrans-58.5-36.1179.1-68.8-26.4000111.9K173 R174 E181K173-D177 VanDerWaalsContact O-CG 3.23Å; K173-D177 PolarHBondContact O-N 2.91Å; R174-D177 PolarHBondContact O-N 3.12Å; D177-E181 WeakPolarHBondContact O-CB 3.49Å; D177-E181 PolarHBondContact O-N 3.28Å; D177-E181 VanDerWaalsContact O-N 3.14Å
178V95.3Very high91.7Very high97 Ų97110.5 Ų110.559%0.58852%0.521SS*.Hα-helixtrans-69.8-43.2175.2169.90000111.6R174 E175 I176 E181 Q182R174-V178 WeakPolarHBondContact O-CG2 3.4Å; R174-V178 PolarHBondContact O-N 2.9Å; E175-V178 PolarHBondContact O-N 2.81Å; I176-V178 PolarHBondContact O-N 2.85Å; V178-E181 PolarHBondContact O-N 3.31Å; V178-Q182 WeakPolarHBondContact O-CB 3.38Å; V178-Q182 PolarHBondContact O-N 2.92Å
179L94.6Very high89.9Confident91 Ų91110.4 Ų110.448%0.47652%0.523SS..Hα-helixtrans-64.8-42.6177.5-70.5173.1000111.5E175 I176 E181 Q182 E183E175-L179 HydrophobicContact CG-CD1 4.47Å; E175-L179 WeakPolarHBondContact O-CG 3.35Å; E175-L179 PolarHBondContact O-N 2.66Å; I176-L179 PolarHBondContact O-N 3.41Å; I176-L179 VanDerWaalsContact O-N 3.09Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.95Å; L179-Q182 PolarHBondContact O-N 3.27Å; L179-E183 WeakPolarHBondContact O-CB 3.35Å; L179-E183 PolarHBondContact O-N 3.31Å
180D93.7Very high88.1Confident62 Ų62109.1 Ų109.133%0.33252%0.521SS..Hα-helixtrans-60.9-41.8175.9-808000111.1I176 E183 R184I176-D180 WeakPolarHBondContact O-CB 3.48Å; I176-D180 PolarHBondContact O-N 3.15Å; D180-E183 PolarHBondContact O-N 2.93Å; D180-R184 WeakPolarHBondContact O-CB 3.33Å; D180-R184 VanDerWaalsContact O-CG 3.24Å; D180-R184 WeakPolarHBondContact O-CG 3.47Å; D180-R184 PolarHBondContact O-N 3.3Å
181E91.6Very high86.1Confident114 Ų114113.4 Ų113.453%0.53354%0.539SS..Hα-helixtrans-69.1-37.7176.8-167.860.4-153.400111.8D177 V178 L179 R184 S185D177-E181 WeakPolarHBondContact O-CB 3.49Å; D177-E181 PolarHBondContact O-N 3.28Å; D177-E181 VanDerWaalsContact O-N 3.14Å; V178-E181 PolarHBondContact O-N 3.31Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.95Å; E181-R184 PolarHBondContact O-N 3.28Å; E181-R184 IonicContact OE2-NH1 3.81Å; E181-S185 WeakPolarHBondContact O-CB 3.33Å; E181-S185 PolarHBondContact O-N 2.88Å
182Q92.1Very high84Confident109 Ų109115.8 Ų115.851%0.50955%0.548SS..Hα-helixtrans-64-44.3173.7-174.8176.52.200111.3V178 L179 S185 I186V178-Q182 WeakPolarHBondContact O-CB 3.38Å; V178-Q182 PolarHBondContact O-N 2.92Å; L179-Q182 PolarHBondContact O-N 3.27Å; Q182-S185 WeakPolarHBondContact O-CB 3.46Å; Q182-S185 PolarHBondContact O-N 3.28Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; Q182-S185 PolarHBondContact O-OG 3.25Å; Q182-I186 HydrophobicContact CG-CD1 4.47Å; Q182-I186 WeakPolarHBondContact O-CG1 3.43Å; Q182-I186 PolarHBondContact O-N 2.88Å; Q182-I186 VanDerWaalsContact O-N 3.09Å
183E88.1Confident81.4Confident99 Ų99116.6 Ų116.646%0.46355%0.549SS..Hα-helixtrans-59.5-49.1175.9-176.3178.2-159.500110.9L179 D180 S185 I186 Y187L179-E183 WeakPolarHBondContact O-CB 3.35Å; L179-E183 PolarHBondContact O-N 3.31Å; D180-E183 PolarHBondContact O-N 2.93Å; E183-S185 PolarHBondContact O-N 3.41Å; E183-I186 PolarHBondContact O-N 3.22Å; E183-I186 VanDerWaalsContact O-N 3.08Å; E183-Y187 HydrophobicContact CG-CD2 3.78Å; E183-Y187 HydrophobicContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact O-CD2 3.27Å; E183-Y187 WeakPolarHBondContact O-CD2 3.35Å; E183-Y187 PolarHBondContact O-N 3.4Å; E183-Y187 VanDerWaalsContact O-N 3.13Å
184R87Confident78.8Confident159 Ų159116.4 Ų116.460%0.656%0.561SS**Hα-helixtrans-57-36.7174.7-73.1171.4-173.6174.36.1112.4D180 E181 R188D180-R184 WeakPolarHBondContact O-CB 3.33Å; D180-R184 VanDerWaalsContact O-CG 3.24Å; D180-R184 WeakPolarHBondContact O-CG 3.47Å; D180-R184 PolarHBondContact O-N 3.3Å; E181-R184 PolarHBondContact O-N 3.28Å; E181-R184 IonicContact OE2-NH1 3.81Å; R184-R188 WeakPolarHBondContact O-CB 3.44Å; R184-R188 PolarHBondContact O-N 3.01Å
185S84.1Confident76.4Confident52 Ų52115.8 Ų115.836%0.36457%0.565SS.*Hα-helixtrans-67.5-35.8177.584.20000113E181 Q182 E183 N189E181-S185 WeakPolarHBondContact O-CB 3.33Å; E181-S185 PolarHBondContact O-N 2.88Å; Q182-S185 WeakPolarHBondContact O-CB 3.46Å; Q182-S185 PolarHBondContact O-N 3.28Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; Q182-S185 PolarHBondContact O-OG 3.25Å; E183-S185 PolarHBondContact O-N 3.41Å; S185-N189 PolarHBondContact O-N 2.77Å; S185-N189 PolarHBondContact O-ND2 3.13Å
186I82.8Confident73.8Confident89 Ų89121.4 Ų121.446%0.45658%0.581SS.*Hα-helixtrans-67.4-51.5177.7-66.5165.3000109.7Q182 E183 R188 N189 D190Q182-I186 HydrophobicContact CG-CD1 4.47Å; Q182-I186 WeakPolarHBondContact O-CG1 3.43Å; Q182-I186 PolarHBondContact O-N 2.88Å; Q182-I186 VanDerWaalsContact O-N 3.09Å; E183-I186 PolarHBondContact O-N 3.22Å; E183-I186 VanDerWaalsContact O-N 3.08Å; I186-R188 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 2.91Å; I186-N189 PolarHBondContact O-N 2.84Å; I186-D190 PolarHBondContact O-N 3.39Å
187Y74.6Confident71.3Confident151 Ų151123.9 Ų123.959%0.59260%0.601SS**Hα-helixtrans-63.7-35.9-179.5-73.9-68.3000112.7E183 N189 D190 E191E183-Y187 HydrophobicContact CG-CD2 3.78Å; E183-Y187 HydrophobicContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact O-CD2 3.27Å; E183-Y187 WeakPolarHBondContact O-CD2 3.35Å; E183-Y187 PolarHBondContact O-N 3.4Å; E183-Y187 VanDerWaalsContact O-N 3.13Å; Y187-N189 VanDerWaalsContact C-N 3.27Å; Y187-N189 PolarHBondContact O-N 2.85Å; Y187-D190 PolarHBondContact O-N 2.93Å; Y187-E191 PolarHBondContact O-N 2.89Å
188R74.3Confident69Low192 Ų192129.3 Ų129.373%0.72562%0.615SS**Hα-helixtrans-63.7-32.1173.3-178.6-178.6-99.2-179.2-4.2112.5R184 I186R184-R188 WeakPolarHBondContact O-CB 3.44Å; R184-R188 PolarHBondContact O-N 3.01Å; I186-R188 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 2.91Å
189N59.7Low66.8Low108 Ų108130.3 Ų130.358%0.57863%0.626SS**Hα-helixtrans-78.6-34.6177.6-75-27.2000112.5S185 I186 Y187 L192S185-N189 PolarHBondContact O-N 2.77Å; S185-N189 PolarHBondContact O-ND2 3.13Å; I186-N189 PolarHBondContact O-N 2.84Å; Y187-N189 VanDerWaalsContact C-N 3.27Å; Y187-N189 PolarHBondContact O-N 2.85Å; N189-L192 PolarHBondContact O-N 3.47Å
190D58.9Low64.8Low111 Ų111133.3 Ų133.359%0.59464%0.636SS**Hα-helixtrans-70.3-31.2178.9-102.7-3.3000112.9I186 Y187 L192 Q193I186-D190 PolarHBondContact O-N 3.39Å; Y187-D190 PolarHBondContact O-N 2.93Å; D190-L192 PolarHBondContact O-N 2.99Å; D190-Q193 PolarHBondContact O-N 3.3Å
191E56Low63.2Low175 Ų175133.3 Ų133.382%0.81864%0.64SS**THydrogen-bonded Turntrans-61.4-12171.5-78.2-171.4163.600113.4Y187Y187-E191 PolarHBondContact O-N 2.89Å
192L52.6Low61.9Low135 Ų135136.8 Ų136.871%0.70765%0.65SS**THydrogen-bonded Turntrans-1044.8178.8-69.8171.7000115.1N189 D190N189-L192 PolarHBondContact O-N 3.47Å; D190-L192 PolarHBondContact O-N 2.99Å
193Q41.8Very low60.7Low116 Ų116137.1 Ų137.154%0.54266%0.655SS.*  trans-119.898.5174.3-80-78.2-1400111.7D190 H195D190-Q193 PolarHBondContact O-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.92Å; Q193-H195 PolarHBondContact OE1-NE2 3.45Å
194P43.1Very low59.7Low125 Ų125137.4 Ų137.481%0.81266%0.66SS**  trans-7574.9170.631.4-31.8000109.3R196P194-R196 PolarHBondContact O-N 3Å
195H45.5Very low58.6Low155 Ų155133.9 Ų133.972%0.71866%0.656SS**  trans-78.193.6175.6-95.4-52.3000110.6Q193 T197Q193-H195 PolarHBondContact O-N 2.92Å; Q193-H195 PolarHBondContact OE1-NE2 3.45Å; H195-T197 PolarHBondContact O-N 3.46Å
196R43.7Very low57.8Low230 Ų230134.1 Ų134.187%0.86866%0.655SS**  trans12.4103.6155.5-80.8-178.6172.9169.8-1.7115.4P194 R198P194-R196 PolarHBondContact O-N 3Å; R196-R198 PolarHBondContact O-N 3.32Å
197T42.2Very low57.1Low144 Ų144136.1 Ų136.188%0.88366%0.663SS**  trans-4499.3158.247.50000111.5H195H195-T197 PolarHBondContact O-N 3.46Å
198R46.8Very low56.9Low202 Ų202135 Ų13576%0.76266%0.663SS**  trans-100.4115.7147.7-164.4172.3-167.9165.72105.4R196 F200R196-R198 PolarHBondContact O-N 3.32Å; R198-F200 HydrophobicContact CB-CE2 3.93Å; R198-F200 HydrophobicContact CB-CZ 4.32Å; R198-F200 HydrophobicContact CG-CZ 4.49Å; R198-F200 WeakPolarHBondContact O-CD2 3.47Å; R198-F200 WeakPolarHBondContact O-CE2 3.37Å; R198-F200 PolarHBondContact O-N 3.33Å
199S49.9Very low56.8Low117 Ų117133.9 Ų133.982%0.81866%0.659SS**  trans-59.8102.3-177-420000109.2
200F53.2Low57.1Low154 Ų154133.4 Ų133.468%0.67566%0.656SS**  trans-94.4118.1170.7-69.6-77.5000107.4R198R198-F200 HydrophobicContact CB-CE2 3.93Å; R198-F200 HydrophobicContact CB-CZ 4.32Å; R198-F200 HydrophobicContact CG-CZ 4.49Å; R198-F200 WeakPolarHBondContact O-CD2 3.47Å; R198-F200 WeakPolarHBondContact O-CE2 3.37Å; R198-F200 PolarHBondContact O-N 3.33Å
201S60.5Low57.5Low62 Ų62132.1 Ų132.143%0.43466%0.655SS.*  trans-69.1139.2171.8176.50000108.9D203 D204 T205S201-D203 PolarHBondContact O-N 2.85Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-D203 PolarHBondContact OG-N 2.99Å; S201-D204 PolarHBondContact O-N 2.83Å; S201-T205 PolarHBondContact O-N 3.22Å
202Y62.6Low57.9Low188 Ų188128 Ų12874%0.73764%0.642SS**Hα-helixtrans-52.2-34.7175.1-177.6-96.9000111.8D204 T205 V206Y202-D204 PolarHBondContact O-N 3.34Å; Y202-T205 PolarHBondContact O-N 3.35Å; Y202-V206 HydrophobicContact CD1-CG2 4.3Å; Y202-V206 HydrophobicContact CE1-CG2 3.92Å; Y202-V206 PolarHBondContact O-N 3.47Å
203D67.3Low58.5Low116 Ų116126.1 Ų126.162%0.6263%0.632SS**Hα-helixtrans-63.8-37.2176.6-82.1-22.1000113.2S201 T205 Q207S201-D203 PolarHBondContact O-N 2.85Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-D203 PolarHBondContact OG-N 2.99Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.09Å; D203-Q207 VanDerWaalsContact O-CB 3.22Å; D203-Q207 WeakPolarHBondContact O-CB 3.43Å; D203-Q207 WeakPolarHBondContact O-CG 3.33Å; D203-Q207 PolarHBondContact O-N 2.92Å
204D67.6Low58.8Low104 Ų104123.3 Ų123.356%0.55664%0.635SS**Hα-helixtrans-67.1-36.3178.7-78.4-23.7000111.2S201 Y202 H208S201-D204 PolarHBondContact O-N 2.83Å; Y202-D204 PolarHBondContact O-N 3.34Å; D204-H208 WeakPolarHBondContact O-CB 3.45Å; D204-H208 PolarHBondContact O-N 2.93Å
205T64.1Low58.8Low85 Ų85121.4 Ų121.452%0.52163%0.63SS.*Hα-helixtrans-71.3-43.2-177.5-42.40000110.8S201 Y202 D203 W209S201-T205 PolarHBondContact O-N 3.22Å; Y202-T205 PolarHBondContact O-N 3.35Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.09Å; T205-W209 VanDerWaalsContact O-CB 3.27Å; T205-W209 WeakPolarHBondContact O-CB 3.23Å; T205-W209 PolarHBondContact O-N 2.92Å
206V66.8Low58.7Low57 Ų57125.6 Ų125.635%0.34564%0.639SS.*Hα-helixtrans-72.1-42.41791790000110.8Y202 H208 W209 L210Y202-V206 HydrophobicContact CD1-CG2 4.3Å; Y202-V206 HydrophobicContact CE1-CG2 3.92Å; Y202-V206 PolarHBondContact O-N 3.47Å; V206-H208 PolarHBondContact O-N 3.29Å; V206-W209 PolarHBondContact O-N 3.27Å; V206-L210 HydrophobicContact CG1-CD1 3.72Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 VanDerWaalsContact O-CB 3.26Å; V206-L210 WeakPolarHBondContact O-CB 3.35Å; V206-L210 VanDerWaalsContact O-CG 3.28Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.29Å
207Q68.5Low58.5Low131 Ų131124 Ų12461%0.61264%0.639SS**Hα-helixtrans-61.1-41.7174.1-85.2-92.1-11.600112.1D203 S211D203-Q207 VanDerWaalsContact O-CB 3.22Å; D203-Q207 WeakPolarHBondContact O-CB 3.43Å; D203-Q207 WeakPolarHBondContact O-CG 3.33Å; D203-Q207 PolarHBondContact O-N 2.92Å; Q207-S211 WeakPolarHBondContact O-CB 3.49Å; Q207-S211 PolarHBondContact O-N 2.99Å; Q207-S211 PolarHBondContact O-OG 3.37Å
208H70.6Confident58.4Low127 Ų127127 Ų12759%0.58864%0.639SS**Hα-helixtrans-67.6-43.3176.3-173.4-49.8000111.2D204 V206 S211 V212D204-H208 WeakPolarHBondContact O-CB 3.45Å; D204-H208 PolarHBondContact O-N 2.93Å; V206-H208 PolarHBondContact O-N 3.29Å; H208-S211 PolarHBondContact O-N 3.45Å; H208-V212 WeakPolarHBondContact CE1-CG2 3.44Å; H208-V212 VanDerWaalsContact ND1-CG2 3.32Å; H208-V212 WeakPolarHBondContact ND1-CG2 3.49Å; H208-V212 WeakPolarHBondContact O-CB 3.5Å; H208-V212 VanDerWaalsContact O-CG2 3.25Å; H208-V212 WeakPolarHBondContact O-CG2 3.46Å; H208-V212 PolarHBondContact O-N 2.87Å
209W71.1Confident58.1Low169 Ų169124.5 Ų124.564%0.6464%0.641SS**Hα-helixtrans-67.5-41.3179.8-165.390.1000111.8T205 V206 V212 N213T205-W209 VanDerWaalsContact O-CB 3.27Å; T205-W209 WeakPolarHBondContact O-CB 3.23Å; T205-W209 PolarHBondContact O-N 2.92Å; V206-W209 PolarHBondContact O-N 3.27Å; W209-V212 PolarHBondContact O-N 2.92Å; W209-N213 WeakPolarHBondContact CZ2-ND2 3.39Å; W209-N213 PolarHBondContact NE1-ND2 2.75Å; W209-N213 WeakPolarHBondContact O-CB 3.37Å; W209-N213 PolarHBondContact O-N 2.84Å; W209-N213 PolarHBondContact O-ND2 3.47Å
210L67.4Low57.4Low99 Ų99127.8 Ų127.852%0.51864%0.644SS.*Hα-helixtrans-67.5-34.6172.4-70.8173.6000112.1V206 G214V206-L210 HydrophobicContact CG1-CD1 3.72Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 VanDerWaalsContact O-CB 3.26Å; V206-L210 WeakPolarHBondContact O-CB 3.35Å; V206-L210 VanDerWaalsContact O-CG 3.28Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.29Å; L210-G214 WeakPolarHBondContact O-CA 3.43Å; L210-G214 PolarHBondContact O-N 3.22Å
211S65.5Low56.6Low84 Ų84126.7 Ų126.759%0.58765%0.65SS**Hα-helixtrans-70-35.7173.7-71.70000112.4Q207 H208Q207-S211 WeakPolarHBondContact O-CB 3.49Å; Q207-S211 PolarHBondContact O-N 2.99Å; Q207-S211 PolarHBondContact O-OG 3.37Å; H208-S211 PolarHBondContact O-N 3.45Å
212V65.1Low55.5Low89 Ų89129.4 Ų129.454%0.53967%0.668SS.*Hα-helixtrans-74.3-38.8178.5168.30000111.6H208 W209H208-V212 WeakPolarHBondContact CE1-CG2 3.44Å; H208-V212 VanDerWaalsContact ND1-CG2 3.32Å; H208-V212 WeakPolarHBondContact ND1-CG2 3.49Å; H208-V212 WeakPolarHBondContact O-CB 3.5Å; H208-V212 VanDerWaalsContact O-CG2 3.25Å; H208-V212 WeakPolarHBondContact O-CG2 3.46Å; H208-V212 PolarHBondContact O-N 2.87Å; W209-V212 PolarHBondContact O-N 2.92Å
213N65.4Low54.1Low94 Ų94129 Ų12950%0.50367%0.673SS.*Hα-helixtrans-100.4-17.2-175.2-64.8-45.2000114W209W209-N213 WeakPolarHBondContact CZ2-ND2 3.39Å; W209-N213 PolarHBondContact NE1-ND2 2.75Å; W209-N213 WeakPolarHBondContact O-CB 3.37Å; W209-N213 PolarHBondContact O-N 2.84Å; W209-N213 PolarHBondContact O-ND2 3.47Å
214G48.3Very low52.6Low57 Ų57128 Ų12859%0.58868%0.675SS**SBendtrans-110.143.8-17000000114.7L210L210-G214 WeakPolarHBondContact O-CA 3.43Å; L210-G214 PolarHBondContact O-N 3.22Å
215A43.7Very low51.1Low86 Ų86130.7 Ų130.771%0.71168%0.684SS**  trans-162.434.7162.600000113.8K217A215-K217 PolarHBondContact O-N 3.01Å
216R42.7Very low49.8Very low242 Ų242134.5 Ų134.591%0.91370%0.701SS**  trans-84.591.1159.9-84.6-170.3168.9-166.7-2.4108.6K218R216-K218 PolarHBondContact O-N 3.33Å
217K39.4Very low48.5Very low198 Ų198137.1 Ų137.186%0.86172%0.717SS**  trans-43.6109.8155.6-86.3-177.5170.1-177.50107.4A215 D219A215-K217 PolarHBondContact O-N 3.01Å; K217-D219 PolarHBondContact O-N 3.48Å; K217-D219 VanDerWaalsContact O-N 3.13Å
218K39.9Very low47.1Very low206 Ų206138.5 Ų138.590%0.89673%0.728SS**  trans-70.3102.8167-104.4-179.3172.3179.90106.1R216 E220R216-K218 PolarHBondContact O-N 3.33Å; K218-E220 PolarHBondContact O-N 2.88Å
219D40.2Very low45.5Very low150 Ų150141 Ų14180%0.80274%0.74SS**  trans-56.4126.8157.5-81.3-33.9000108K217 T221K217-D219 PolarHBondContact O-N 3.48Å; K217-D219 VanDerWaalsContact O-N 3.13Å; D219-T221 PolarHBondContact O-N 3.45Å
220E35.4Very low43.9Very low186 Ų186139 Ų13987%0.86975%0.746SS**  trans-56.9121170.6-69.1171.7131.100109.3K218K218-E220 PolarHBondContact O-N 2.88Å
221T36Very low42.5Very low131 Ų131140.9 Ų140.980%0.80476%0.762SS**  trans-161.789.9145.46.30000109.4D219D219-T221 PolarHBondContact O-N 3.45Å
222S37.3Very low41Very low118 Ų118141.8 Ų141.883%0.82577%0.768SS**  trans24.1100141.2-50.50000118.5
223H35.1Very low39.5Very low181 Ų181143 Ų14384%0.83878%0.78SS**  trans-149.2115.4133.7-14564000110.8
224S35.3Very low37.9Very low93 Ų93143.3 Ų143.365%0.6580%0.795SS**  trans-62.8134.8175.249.10000112.3
225H35.2Very low37.5Very low162 Ų162145.4 Ų145.475%0.7580%0.798SS**  trans-159.992.4135.6-110.9-64.8000108.4V227H225-V227 VanDerWaalsContact C-N 3.34Å; H225-V227 HydrophobicContact CB-CG2 4.23Å; H225-V227 PolarHBondContact O-N 2.94Å
226D36.9Very low36.8Very low164 Ų164147.9 Ų147.988%0.87780%0.8SS**  trans-61.798.1158.9-102.5-31.9000107.6
227V40.3Very low36.3Very low112 Ų112147.7 Ų147.768%0.67980%0.799SS**  trans-124.458.5167.7-172.10000107.9H225H225-V227 VanDerWaalsContact C-N 3.34Å; H225-V227 HydrophobicContact CB-CG2 4.23Å; H225-V227 PolarHBondContact O-N 2.94Å
228L39.7Very low36.1Very low161 Ų161144 Ų14484%0.84380%0.798SS**  trans-114.758153.3-68.8176.7000107.6T230L228-T230 PolarHBondContact O-N 2.74Å
229Q36.2Very low35.7Very low180 Ų180139.6 Ų139.684%0.84179%0.793SS**  trans-71.390.6154.3-79.9-168.3-3.500107T231Q229-T231 PolarHBondContact O-N 3.33Å
230T37.2Very low35.8Very low126 Ų126138.5 Ų138.577%0.77379%0.794SS**  trans-43.3104.5156.631.70000109L228 S232L228-T230 PolarHBondContact O-N 2.74Å; T230-S232 PolarHBondContact O-N 3.24Å
231T37.3Very low36Very low138 Ų138133.7 Ų133.785%0.84779%0.786SS**  trans-67.887.4161.11.10000106.1Q229 C233Q229-T231 PolarHBondContact O-N 3.33Å; T231-C233 PolarHBondContact O-N 3.36Å; T231-C233 VanDerWaalsContact O-N 3.09Å
232S35.6Very low36.1Very low104 Ų104136.7 Ų136.773%0.72779%0.791SS**  trans-51.1112.9170.31770000108.3T230 A234T230-S232 PolarHBondContact O-N 3.24Å; S232-A234 PolarHBondContact O-N 3.3Å
233C31.7Very low36.1Very low115 Ų115142 Ų14278%0.77779%0.793SS**  trans-55.9108.1168-70.70000107.9T231 P235T231-C233 PolarHBondContact O-N 3.36Å; T231-C233 VanDerWaalsContact O-N 3.09Å; C233-P235 WeakPolarHBondContact O-CD 3.46Å; C233-P235 VanDerWaalsContact O-N 3.13Å
234A33.1Very low36.4Very low99 Ų99139.1 Ų139.182%0.81879%0.79SS**  trans-59.2113.1173.800000109.2S232S232-A234 PolarHBondContact O-N 3.3Å
235P38.5Very low36.6Very low102 Ų102142.3 Ų142.366%0.66280%0.799SS**  trans-95.6139.4176.419.4-0.4000110.2C233C233-P235 WeakPolarHBondContact O-CD 3.46Å; C233-P235 VanDerWaalsContact O-N 3.13Å
236N31.1Very low36.9Very low138 Ų138140.3 Ų140.374%0.73880%0.801SS**  trans86.1110.3151.5-64.4-42.6000119.9
237R31.5Very low37.1Very low237 Ų237140.4 Ų140.489%0.89480%0.8SS**  49.6110.9123.7-70-176.7172-156.4-1.7117.3
238S34Very low36.8Very low122 Ų122138.3 Ų138.385%0.85380%0.801SS**  -154.8133.1126.627.30000110.4
239S32.3Very low36.9Very low112 Ų112136.4 Ų136.478%0.78380%0.798SS**  trans-45132.1-173.1-49.10000115.2A241S239-A241 PolarHBondContact O-N 3.49Å
240P41.9Very low37Very low127 Ų127132.1 Ų132.183%0.82579%0.793SS**  trans-68.2108.2155.827.5-27.5000107.2Q242P240-Q242 PolarHBondContact O-N 2.96Å
241A40.1Very low36.9Very low85 Ų85132 Ų13270%0.70279%0.792SS**  trans-43125.7171.200000110S239 R243S239-A241 PolarHBondContact O-N 3.49Å; A241-R243 PolarHBondContact O-N 3.34Å
242Q38.1Very low37Very low194 Ų194131.2 Ų131.291%0.90779%0.789SS**  trans-50.2101.8164.9-70.2172.4-34.400108P240P240-Q242 PolarHBondContact O-N 2.96Å
243R37.4Very low37.1Very low231 Ų231132 Ų13287%0.87279%0.789SS**PPolyproline II helixtrans-78.2124.5164.4-84-176177.2168.6-0.1107A241 L245A241-R243 PolarHBondContact O-N 3.34Å; R243-L245 PolarHBondContact O-N 2.93Å
244P40.7Very low37.4Very low120 Ų120134.1 Ų134.178%0.77979%0.793SS**PPolyproline II helixtrans-62.2133.3-179.7-17.429.3000110.4
245L40.3Very low37.7Very low159 Ų159134 Ų13483%0.83278%0.782SS**PPolyproline II helixtrans-56.4127170.3-75.8155.5000109.4R243 I247R243-L245 PolarHBondContact O-N 2.93Å; L245-I247 PolarHBondContact O-N 3.2Å; L245-I247 VanDerWaalsContact O-N 3.11Å
246P41.8Very low37.5Very low121 Ų121136 Ų13679%0.78679%0.787SS**  trans-67.5112.9172.725.9-29.6000108.9G248P246-G248 VanDerWaalsContact C-N 3.3Å; P246-G248 PolarHBondContact O-N 3.07Å
247I39.8Very low37.8Very low166 Ų166134.4 Ų134.485%0.85179%0.794SS**  trans-67.592.3165.4-62.2165.4000106.2L245 P249L245-I247 PolarHBondContact O-N 3.2Å; L245-I247 VanDerWaalsContact O-N 3.11Å; I247-P249 WeakPolarHBondContact O-CD 3.41Å
248G34.8Very low38Very low68 Ų68127.2 Ų127.270%0.70178%0.784SS**  trans-90.8110.8168.200000109.3P246 A250P246-G248 VanDerWaalsContact C-N 3.3Å; P246-G248 PolarHBondContact O-N 3.07Å; G248-A250 PolarHBondContact O-N 3Å
249P41.2Very low38.1Very low121 Ų121129.1 Ų129.179%0.78678%0.784SS**  trans-75.2120.6174.528.3-30000110.9I247I247-P249 WeakPolarHBondContact O-CD 3.41Å
250A37.8Very low38.4Very low89 Ų89129.7 Ų129.774%0.73679%0.785SS**  trans47.6103.1146.200000119G248 P252G248-A250 PolarHBondContact O-N 3Å; A250-P252 WeakPolarHBondContact O-CD 3.45Å
251V35.6Very low38.5Very low125 Ų125127.6 Ų127.676%0.75878%0.779SS**  trans-53.8120.3152.3177.80000109.1T253V251-T253 PolarHBondContact O-N 3.46Å; V251-T253 VanDerWaalsContact O-N 3.16Å
252P39.4Very low38.3Very low121 Ų121130.8 Ų130.879%0.78678%0.784SS**  trans-74.4102.11611.515.5000107A250 D254A250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-D254 VanDerWaalsContact C-N 3.35Å; P252-D254 PolarHBondContact O-N 3.35Å
253T38.2Very low38.3Very low119 Ų119127.1 Ų127.173%0.7378%0.775SS**  trans-65.698161.7-48.80000106.7V251 V255V251-T253 PolarHBondContact O-N 3.46Å; V251-T253 VanDerWaalsContact O-N 3.16Å; T253-V255 HydrophobicContact CG2-CG2 4Å
254D38.2Very low38.2Very low160 Ų160121.8 Ų121.886%0.85677%0.768SS**  trans-115.7122.1162.6-139.3-10.7000109.9P252P252-D254 VanDerWaalsContact C-N 3.35Å; P252-D254 PolarHBondContact O-N 3.35Å
255V39.3Very low38Very low96 Ų96124.1 Ų124.158%0.58277%0.768SS**  trans-97.1149-168.5-174.50000106.5T253T253-V255 HydrophobicContact CG2-CG2 4Å
256N35Very low38.1Very low144 Ų144122 Ų12277%0.7776%0.764SS**  trans95.366.7172.6-53.4-54.8000117.1A258N256-A258 VanDerWaalsContact C-N 3.26Å; N256-A258 PolarHBondContact O-N 2.92Å
257A35.7Very low37.7Very low106 Ų106127.1 Ų127.188%0.87677%0.77SS**  trans-86.479.6140.500000107.9L259A257-L259 PolarHBondContact O-N 3.2Å
258A37.3Very low37.8Very low85 Ų85127.2 Ų127.270%0.70277%0.771SS**  trans-59.9116.2172.600000109N256N256-A258 VanDerWaalsContact C-N 3.26Å; N256-A258 PolarHBondContact O-N 2.92Å
259L35.2Very low38Very low163 Ų163127.7 Ų127.785%0.85377%0.768SS**  trans-47.5126.4168.5-81.7147.5000109.6A257 A261A257-L259 PolarHBondContact O-N 3.2Å; L259-A261 PolarHBondContact O-N 3.5Å
260P39.1Very low38.1Very low124 Ų124127.7 Ų127.781%0.80577%0.768SS**  trans-67.1101.5170.826.1-30000107.9D262P260-D262 PolarHBondContact O-N 2.92Å
261A43.4Very low38.2Very low83 Ų83134.4 Ų134.469%0.68678%0.775SS**  trans-55.2123.1168.900000108.2L259 V263L259-A261 PolarHBondContact O-N 3.5Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.29Å
262D36Very low38.5Very low151 Ų151134.1 Ų134.181%0.80778%0.775SS**  trans-61.188.4177.6-150.2-2.5000108.4P260 T264P260-D262 PolarHBondContact O-N 2.92Å; D262-T264 PolarHBondContact O-N 3Å; D262-T264 PolarHBondContact O-OG1 3.18Å
263V37.8Very low38.4Very low118 Ų118138.3 Ų138.372%0.71578%0.781SS**  trans-71.786.1175.3179.40000106.7A261 Q265A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.29Å; V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 HydrophobicContact CG1-CG 4.34Å; V263-Q265 PolarHBondContact O-N 3.1Å
264T36.7Very low38.4Very low119 Ų119138.7 Ų138.773%0.7378%0.784SS**  trans-60.793165.4-45.90000106.8D262 P266D262-T264 PolarHBondContact O-N 3Å; D262-T264 PolarHBondContact O-OG1 3.18Å; T264-P266 VanDerWaalsContact O-CD 3.26Å; T264-P266 WeakPolarHBondContact O-CD 3.23Å
265Q36.4Very low38.5Very low168 Ų168136.2 Ų136.279%0.78578%0.779SS**  trans-64.2119.9174.4-81.3-155.7-7.600108.8V263 Y267V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 HydrophobicContact CG1-CG 4.34Å; V263-Q265 PolarHBondContact O-N 3.1Å; Q265-Y267 PolarHBondContact O-N 3.44Å
266P40.8Very low38.4Very low115 Ų115138.5 Ų138.575%0.74779%0.788SS**  trans-69122.4175.326.6-29.8000108.9T264 L268T264-P266 VanDerWaalsContact O-CD 3.26Å; T264-P266 WeakPolarHBondContact O-CD 3.23Å; P266-L268 PolarHBondContact O-N 3.41Å
267Y34.9Very low38.6Very low229 Ų229140.1 Ų140.190%0.89879%0.788SS**  trans-48.3100.8174.8-144.8-100.4000110.2Q265 A269Q265-Y267 PolarHBondContact O-N 3.44Å; Y267-A269 PolarHBondContact O-N 3.26Å
268L41.1Very low38.7Very low167 Ų167141 Ų14187%0.87479%0.786SS**  trans-71.3102.6173.2-85.6166.6000108.3P266P266-L268 PolarHBondContact O-N 3.41Å
269A39Very low38.8Very low79 Ų79143.7 Ų143.765%0.65379%0.789SS**PPolyproline II helixtrans-55132.6173.300000110.4Y267 R271Y267-A269 PolarHBondContact O-N 3.26Å; A269-R271 PolarHBondContact O-N 3.27Å
270P42.2Very low38.8Very low120 Ų120139 Ų13978%0.77978%0.78SS**PPolyproline II helixtrans-66.4120.2-176.223.2-30.2000110.6
271R40.4Very low38.7Very low231 Ų231142 Ų14287%0.87278%0.782SS**PPolyproline II helixtrans-64.3130173.1-73.1-175.3175.6-167.8-0.8109.5A269 F273A269-R271 PolarHBondContact O-N 3.27Å; R271-F273 PolarHBondContact O-N 3.45Å
272P41.8Very low38.6Very low118 Ų118149 Ų14977%0.76679%0.791SS**PPolyproline II helixtrans-66.8124176.724.9-30.2000109.7T274P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 VanDerWaalsContact O-N 3.1Å
273F37.3Very low38.8Very low209 Ų209147.3 Ų147.392%0.91779%0.791SS**  trans-57.4112.6170.4-99.7-98.8000109.1R271 S275R271-F273 PolarHBondContact O-N 3.45Å; F273-S275 PolarHBondContact O-N 3.49Å
274T38.6Very low38.7Very low128 Ų128146.8 Ų146.879%0.78579%0.793SS**  trans-65.5104.5162.645.30000106.9P272 D276P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 VanDerWaalsContact O-N 3.1Å; T274-D276 PolarHBondContact O-N 3.5Å
275S39.5Very low39.1Very low107 Ų107149.5 Ų149.575%0.74883%0.827SS**  trans-62.7101.9168.1-175.30000107F273 K277F273-S275 PolarHBondContact O-N 3.49Å; S275-K277 PolarHBondContact O-N 3Å
276D39.1Very low39.2Very low145 Ų145148.6 Ų148.678%0.77583%0.829SS**  trans-55.1110164.3-99.6-27.7000106.9T274 C278T274-D276 PolarHBondContact O-N 3.5Å; D276-C278 PolarHBondContact O-N 3.06Å
277K38.2Very low39.1Very low177 Ų177150.3 Ų150.377%0.7783%0.834SS**  trans-68.194.4167.5-72.6-173174.8-1770105.6S275 D279S275-K277 PolarHBondContact O-N 3Å; K277-D279 PolarHBondContact O-N 3.22Å
278C38.3Very low39.4Very low124 Ų124145.9 Ų145.984%0.83883%0.83SS**  trans-65.990159.9-71.90000107.2D276 G280D276-C278 PolarHBondContact O-N 3.06Å; C278-G280 PolarHBondContact O-N 2.77Å
279D38.7Very low39.3Very low142 Ų142144.7 Ų144.776%0.75983%0.828SS**  trans-60.7122.8166.2-82.6-41.4000109.5K277K277-D279 PolarHBondContact O-N 3.22Å
280G35.7Very low39.3Very low64 Ų64148.8 Ų148.866%0.6684%0.839SS**  trans459614000000119C278C278-G280 PolarHBondContact O-N 2.77Å
281H37.3Very low39.1Very low187 Ų187150.7 Ų150.787%0.86684%0.843SS**  trans-109.688.8135.8-85.1-66.7000109.2S283H281-S283 PolarHBondContact O-N 3.25Å
282R40.4Very low39Very low230 Ų230145 Ų14587%0.86884%0.84SS**  trans-74.193.7160-139.1-178.7-157.9-1214.2105.6S284R282-S284 PolarHBondContact O-N 3.12Å; R282-S284 VanDerWaalsContact O-N 3.09Å
283S40.7Very low38.8Very low116 Ų116147.1 Ų147.181%0.81185%0.846SS**  trans-74.997.1169-66.90000108H281H281-S283 PolarHBondContact O-N 3.25Å
284S35.3Very low38.9Very low107 Ų107141.9 Ų141.975%0.74884%0.84SS**  trans-82.4117.4158.8-76.10000108.5R282R282-S284 PolarHBondContact O-N 3.12Å; R282-S284 VanDerWaalsContact O-N 3.09Å
285A45.2Very low38.9Very low176 Ų176143.2 Ų143.2100%1.45585%0.845SS**  trans-162.90143.300000107.2

Retrieved 285 of 285 residues in 428.1 ms (Link to these results)