A0A077Z4E1_TRITR Loading...

Mpp10 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M52.5Low72Confident222 Ų222124.3 Ų124.3100%1.09466%0.657SS**  091.70-75.1176-170.800106.4
2L54.2Low72.9Confident160 Ų160129.4 Ų129.484%0.83866%0.661SS**  trans-94.394.1160.8-80.1157.2000103.5E4L2-E4 PolarHBondContact O-N 2.97Å
3V67.7Low73.8Confident87 Ų87128.9 Ų128.953%0.52765%0.654SS.*  trans-78.5105.9172.3179.30000104.7G5 Y6V3-G5 PolarHBondContact O-N 3.35Å; V3-Y6 HydrophobicContact CG1-CD2 4.06Å; V3-Y6 HydrophobicContact CG1-CE2 4.27Å
4E60.5Low74.3Confident196 Ų196127.7 Ų127.792%0.91665%0.645SS**THydrogen-bonded Turntrans-54.9121.1177.9-68.1-179.7167.400109.4L2L2-E4 PolarHBondContact O-N 2.97Å
5G78.1Confident74.8Confident77 Ų77122.8 Ų122.879%0.79462%0.624SS**THydrogen-bonded Turntrans117.8-3.3173.300000117.2V3V3-G5 PolarHBondContact O-N 3.35Å
6Y73.8Confident75.3Confident134 Ų134123.9 Ų123.953%0.52563%0.626SS.*SBendtrans-101.3134.5171.8-78-88.7000111.5V3 Q10V3-Y6 HydrophobicContact CG1-CD2 4.06Å; V3-Y6 HydrophobicContact CG1-CE2 4.27Å; Y6-Q10 HydrophobicContact CD1-CG 4.36Å
7P82.2Confident75.7Confident75 Ų75122.5 Ų122.549%0.48762%0.62SS.*  trans-61.5140.2173.124.3-30.4000110.5E9 Q10 I11P7-E9 PolarHBondContact O-N 3.3Å; P7-E9 VanDerWaalsContact O-N 3.09Å; P7-Q10 HydrophobicContact CG-CB 4.04Å; P7-Q10 WeakPolarHBondContact O-CB 3.36Å; P7-Q10 PolarHBondContact O-N 3.34Å; P7-I11 PolarHBondContact O-N 2.84Å
8D80.2Confident76.1Confident115 Ų115120.6 Ų120.662%0.61561%0.611SS**Hα-helixtrans-52.5-36.6-173.5-70.6-15.6000113.1Q10 I11 W12D8-Q10 VanDerWaalsContact C-N 3.29Å; D8-Q10 PolarHBondContact O-N 3.14Å; D8-I11 PolarHBondContact O-N 2.85Å; D8-W12 PolarHBondContact O-N 3.44Å; D8-W12 VanDerWaalsContact O-N 3.1Å
9E82.6Confident76.5Confident157 Ų157118.6 Ų118.673%0.73460%0.602SS**Hα-helixtrans-60.9-35.8177.1-76.9167.1161.700112.8P7 W12 Q13P7-E9 PolarHBondContact O-N 3.3Å; P7-E9 VanDerWaalsContact O-N 3.09Å; E9-W12 PolarHBondContact O-N 3.43Å; E9-Q13 WeakPolarHBondContact O-CB 3.49Å; E9-Q13 WeakPolarHBondContact O-CG 3.27Å; E9-Q13 PolarHBondContact O-N 3.16Å
10Q81.2Confident76.8Confident94 Ų94115.2 Ų115.244%0.43959%0.589SS.*Hα-helixtrans-75.6-30.6-179.9-162.41660.900111.7Y6 P7 D8 Q14Y6-Q10 HydrophobicContact CD1-CG 4.36Å; P7-Q10 HydrophobicContact CG-CB 4.04Å; P7-Q10 WeakPolarHBondContact O-CB 3.36Å; P7-Q10 PolarHBondContact O-N 3.34Å; D8-Q10 VanDerWaalsContact C-N 3.29Å; D8-Q10 PolarHBondContact O-N 3.14Å; Q10-Q14 WeakPolarHBondContact O-CB 3.47Å; Q10-Q14 PolarHBondContact O-N 2.88Å; Q10-Q14 VanDerWaalsContact O-N 3.07Å
11I79.3Confident76.8Confident50 Ų50115.8 Ų115.826%0.25659%0.59SS.*Hα-helixtrans-65.8-46.3172.3-61.6173.3000109.7P7 D8 Q14 V15P7-I11 PolarHBondContact O-N 2.84Å; D8-I11 PolarHBondContact O-N 2.85Å; I11-Q14 PolarHBondContact O-N 3.11Å; I11-V15 WeakPolarHBondContact O-CB 3.29Å; I11-V15 VanDerWaalsContact O-CG2 3.26Å; I11-V15 WeakPolarHBondContact O-CG2 3.38Å; I11-V15 PolarHBondContact O-N 3.38Å
12W82.7Confident78.2Confident186 Ų186109.7 Ų109.771%0.70556%0.562SS**Hα-helixtrans-66.6-41.2179.1-74112.6000112.7D8 E9 Q14 V15 E16D8-W12 PolarHBondContact O-N 3.44Å; D8-W12 VanDerWaalsContact O-N 3.1Å; E9-W12 PolarHBondContact O-N 3.43Å; W12-Q14 VanDerWaalsContact C-N 3.35Å; W12-Q14 PolarHBondContact O-N 3.33Å; W12-V15 PolarHBondContact O-N 2.99Å; W12-E16 WeakPolarHBondContact O-CB 3.41Å; W12-E16 PolarHBondContact O-N 3.23Å
13Q84.2Confident79.3Confident123 Ų123107.2 Ų107.258%0.57555%0.549SS*.Hα-helixtrans-60.5-42.5174.1-77.5178-2.500112.3E9 E16 L17E9-Q13 WeakPolarHBondContact O-CB 3.49Å; E9-Q13 WeakPolarHBondContact O-CG 3.27Å; E9-Q13 PolarHBondContact O-N 3.16Å; Q13-E16 PolarHBondContact O-N 2.96Å; Q13-L17 WeakPolarHBondContact O-CB 3.38Å; Q13-L17 PolarHBondContact O-N 2.8Å
14Q80.6Confident79.9Confident112 Ų112108.7 Ų108.752%0.52355%0.55SS..Hα-helixtrans-66.7-39.6177.9-165.670.21400111.7Q10 I11 W12 L17 L18Q10-Q14 WeakPolarHBondContact O-CB 3.47Å; Q10-Q14 PolarHBondContact O-N 2.88Å; Q10-Q14 VanDerWaalsContact O-N 3.07Å; I11-Q14 PolarHBondContact O-N 3.11Å; W12-Q14 VanDerWaalsContact C-N 3.35Å; W12-Q14 PolarHBondContact O-N 3.33Å; Q14-L17 PolarHBondContact O-N 2.89Å; Q14-L18 HydrophobicContact CG-CD1 4.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.16Å; Q14-L18 PolarHBondContact O-N 2.81Å
15V81.8Confident80.8Confident54 Ų54101.6 Ų101.633%0.32752%0.522SS..Hα-helixtrans-65.4-40.4175.1169.80000110.9I11 W12 L18 N19I11-V15 WeakPolarHBondContact O-CB 3.29Å; I11-V15 VanDerWaalsContact O-CG2 3.26Å; I11-V15 WeakPolarHBondContact O-CG2 3.38Å; I11-V15 PolarHBondContact O-N 3.38Å; W12-V15 PolarHBondContact O-N 2.99Å; V15-L18 PolarHBondContact O-N 3.43Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.18Å; V15-N19 WeakPolarHBondContact O-CB 3.3Å; V15-N19 PolarHBondContact O-N 2.97Å; V15-N19 PolarHBondContact O-ND2 3.07Å
16E83.7Confident81Confident140 Ų140105.5 Ų105.565%0.65451%0.513SS*.Hα-helixtrans-65.1-44.3176.3-170.9170-162.500111.7W12 Q13 N19 S20W12-E16 WeakPolarHBondContact O-CB 3.41Å; W12-E16 PolarHBondContact O-N 3.23Å; Q13-E16 PolarHBondContact O-N 2.96Å; E16-N19 PolarHBondContact O-N 3.32Å; E16-S20 WeakPolarHBondContact O-CB 3.24Å; E16-S20 PolarHBondContact O-N 3.14Å
17L81.8Confident81.4Confident100 Ų100103.9 Ų103.952%0.52451%0.513SS..Hα-helixtrans-59.1-49173.8-93.1158.6000112.2Q13 Q14 N19 S20 Q21Q13-L17 WeakPolarHBondContact O-CB 3.38Å; Q13-L17 PolarHBondContact O-N 2.8Å; Q14-L17 PolarHBondContact O-N 2.89Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-N19 PolarHBondContact O-N 3.48Å; L17-S20 PolarHBondContact O-N 2.85Å; L17-S20 PolarHBondContact O-OG 2.91Å; L17-Q21 PolarHBondContact O-N 2.87Å
18L82.3Confident81.2Confident89 Ų89108.2 Ų108.247%0.46652%0.519SS..Hα-helixtrans-65.7-37.4178.2-71.8170.2000112.1Q14 V15 N22Q14-L18 HydrophobicContact CG-CD1 4.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.16Å; Q14-L18 PolarHBondContact O-N 2.81Å; V15-L18 PolarHBondContact O-N 3.43Å; L18-N22 PolarHBondContact O-N 3.39Å; L18-N22 PolarHBondContact O-ND2 3.26Å
19N84Confident81.2Confident83 Ų83107.3 Ų107.344%0.44451%0.511SS..Hα-helixtrans-72.8-33.5177.7-75.8-18.1000112.2V15 E16 L17 Q21 N22 L23V15-N19 WeakPolarHBondContact CG1-ND2 3.18Å; V15-N19 WeakPolarHBondContact O-CB 3.3Å; V15-N19 PolarHBondContact O-N 2.97Å; V15-N19 PolarHBondContact O-ND2 3.07Å; E16-N19 PolarHBondContact O-N 3.32Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-N19 PolarHBondContact O-N 3.48Å; N19-Q21 PolarHBondContact O-N 3.15Å; N19-N22 CarbonylContact O-C 3.59Å; N19-N22 PolarHBondContact O-N 2.88Å; N19-L23 VanDerWaalsContact O-CB 3.3Å; N19-L23 WeakPolarHBondContact O-CB 3.24Å; N19-L23 PolarHBondContact O-N 2.93Å
20S81.9Confident81.1Confident49 Ų49104.6 Ų104.634%0.34351%0.505SS..Hα-helixtrans-60.7-43.4178.473.80000112.1E16 L17 L23 Q24E16-S20 WeakPolarHBondContact O-CB 3.24Å; E16-S20 PolarHBondContact O-N 3.14Å; L17-S20 PolarHBondContact O-N 2.85Å; L17-S20 PolarHBondContact O-OG 2.91Å; S20-L23 PolarHBondContact O-N 3.37Å; S20-Q24 WeakPolarHBondContact O-CG 3.32Å; S20-Q24 PolarHBondContact O-N 2.98Å; S20-Q24 VanDerWaalsContact O-N 3.08Å
21Q78.3Confident80.9Confident129 Ų129106.1 Ų106.160%0.60351%0.512SS*.Hα-helixtrans-66.6-42177.1-65.2-178.30.900111.5L17 N19 L23 Q24 S25L17-Q21 PolarHBondContact O-N 2.87Å; N19-Q21 PolarHBondContact O-N 3.15Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-Q24 PolarHBondContact O-N 3.19Å; Q21-S25 PolarHBondContact O-N 3.43Å
22N82Confident80.9Confident94 Ų94107.8 Ų107.850%0.50353%0.525SS..Hα-helixtrans-69.4-30.9176.1-73.5-39000112.8L18 N19 S25 R26L18-N22 PolarHBondContact O-N 3.39Å; L18-N22 PolarHBondContact O-ND2 3.26Å; N19-N22 CarbonylContact O-C 3.59Å; N19-N22 PolarHBondContact O-N 2.88Å; N22-S25 WeakPolarHBondContact CA-OG 3.41Å; N22-S25 PolarHBondContact O-OG 3.07Å; N22-R26 WeakPolarHBondContact O-CB 3.45Å; N22-R26 WeakPolarHBondContact O-CG 3.31Å; N22-R26 PolarHBondContact O-N 3.35Å
23L76.8Confident80.5Confident107 Ų107101.2 Ų101.256%0.5651%0.51SS*.Hα-helixtrans-68-43.1174.8-109.2140.7000111N19 S20 Q21 S25 R26 L27N19-L23 VanDerWaalsContact O-CB 3.3Å; N19-L23 WeakPolarHBondContact O-CB 3.24Å; N19-L23 PolarHBondContact O-N 2.93Å; S20-L23 PolarHBondContact O-N 3.37Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; L23-S25 PolarHBondContact O-N 2.75Å; L23-R26 PolarHBondContact O-N 2.87Å; L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.36Å
24Q79.5Confident79.9Confident118 Ų11897.3 Ų97.355%0.55150%0.499SS*.Hα-helixtrans-63.3-40.8176.8-71.9-177.54.900112.3S20 Q21 L27 R28S20-Q24 WeakPolarHBondContact O-CG 3.32Å; S20-Q24 PolarHBondContact O-N 2.98Å; S20-Q24 VanDerWaalsContact O-N 3.08Å; Q21-Q24 PolarHBondContact O-N 3.19Å; Q24-L27 PolarHBondContact O-N 2.77Å; Q24-R28 PolarHBondContact O-N 3.36Å
25S80.1Confident79.3Confident48 Ų4896.5 Ų96.534%0.33650%0.502SS..Hα-helixtrans-66.4-41.6175.960.90000111.9Q21 N22 L23 R28 E29Q21-S25 PolarHBondContact O-N 3.43Å; N22-S25 WeakPolarHBondContact CA-OG 3.41Å; N22-S25 PolarHBondContact O-OG 3.07Å; L23-S25 PolarHBondContact O-N 2.75Å; S25-R28 PolarHBondContact O-N 3.49Å; S25-E29 PolarHBondContact O-N 2.65Å; S25-E29 VanDerWaalsContact O-N 3.09Å
26R81Confident78.5Confident159 Ų15999.5 Ų99.560%0.652%0.516SS*.Hα-helixtrans-66.2-35.9176.3-69.4-71.9174.6-174.80.1113.3N22 L23 E29 V30N22-R26 WeakPolarHBondContact O-CB 3.45Å; N22-R26 WeakPolarHBondContact O-CG 3.31Å; N22-R26 PolarHBondContact O-N 3.35Å; L23-R26 PolarHBondContact O-N 2.87Å; R26-E29 WeakPolarHBondContact CD-OE2 3.47Å; R26-E29 IonicContact CZ-OE2 2.81Å; R26-E29 IonicContact NE-OE2 2.82Å; R26-E29 IonicContact NH1-OE2 2.73Å; R26-E29 PolarHBondContact NH1-OE2 3.17Å; R26-E29 PolarHBondContact O-N 2.82Å; R26-V30 WeakPolarHBondContact O-CG2 3.33Å; R26-V30 PolarHBondContact O-N 2.83Å
27L82.6Confident77.3Confident100 Ų10099 Ų9952%0.52452%0.517SS..Hα-helixtrans-63.6-42.7174.4-77.9168.8000111.5L23 Q24 E29 V30 E31L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.36Å; Q24-L27 PolarHBondContact O-N 2.77Å; L27-E29 PolarHBondContact O-N 3.5Å; L27-V30 PolarHBondContact O-N 3.47Å; L27-V30 VanDerWaalsContact O-N 3.16Å; L27-E31 WeakPolarHBondContact O-CG 3.11Å; L27-E31 PolarHBondContact O-N 2.97Å
28R77.8Confident76.1Confident166 Ų16698.7 Ų98.763%0.62652%0.516SS*.Hα-helixtrans-63.2-38.9174-67.9-175.6-156.5159.26.2112.7Q24 S25 V30 E31 T32Q24-R28 PolarHBondContact O-N 3.36Å; S25-R28 PolarHBondContact O-N 3.49Å; R28-V30 VanDerWaalsContact C-N 3.29Å; R28-V30 PolarHBondContact O-N 3.38Å; R28-E31 PolarHBondContact O-N 3.43Å; R28-T32 WeakPolarHBondContact O-CB 3.37Å; R28-T32 WeakPolarHBondContact O-CG2 3.43Å; R28-T32 PolarHBondContact O-N 3.44Å; R28-T32 PolarHBondContact O-OG1 2.84Å
29E81.6Confident74.4Confident96 Ų96102.2 Ų102.245%0.44953%0.527SS..Hα-helixtrans-60.8-38.5173.5-73176.9-174.400111.7S25 R26 L27 T32 A33S25-E29 PolarHBondContact O-N 2.65Å; S25-E29 VanDerWaalsContact O-N 3.09Å; R26-E29 WeakPolarHBondContact CD-OE2 3.47Å; R26-E29 IonicContact CZ-OE2 2.81Å; R26-E29 IonicContact NE-OE2 2.82Å; R26-E29 IonicContact NH1-OE2 2.73Å; R26-E29 PolarHBondContact NH1-OE2 3.17Å; R26-E29 PolarHBondContact O-N 2.82Å; L27-E29 PolarHBondContact O-N 3.5Å; E29-T32 WeakPolarHBondContact CA-OG1 3.49Å; E29-T32 PolarHBondContact O-OG1 3.28Å; E29-A33 WeakPolarHBondContact O-CB 3.35Å; E29-A33 PolarHBondContact O-N 3.47Å; E29-A33 VanDerWaalsContact O-N 3.08Å
30V80.1Confident72.9Confident99 Ų99103.2 Ų103.260%0.654%0.541SS*.Hα-helixtrans-71.7-41.2177.4172.90000111.7R26 L27 R28 A33 A34R26-V30 WeakPolarHBondContact O-CG2 3.33Å; R26-V30 PolarHBondContact O-N 2.83Å; L27-V30 PolarHBondContact O-N 3.47Å; L27-V30 VanDerWaalsContact O-N 3.16Å; R28-V30 VanDerWaalsContact C-N 3.29Å; R28-V30 PolarHBondContact O-N 3.38Å; V30-A33 PolarHBondContact O-N 3.43Å; V30-A34 WeakPolarHBondContact O-CB 3.35Å; V30-A34 PolarHBondContact O-N 2.89Å
31E77Confident71.3Confident127 Ų127109.6 Ų109.659%0.59356%0.563SS**Hα-helixtrans-62-46.6175.9-75.4175.7171.500111.7L27 R28 A33 A34 V35L27-E31 WeakPolarHBondContact O-CG 3.11Å; L27-E31 PolarHBondContact O-N 2.97Å; R28-E31 PolarHBondContact O-N 3.43Å; E31-A33 VanDerWaalsContact C-N 3.35Å; E31-A33 PolarHBondContact O-N 3.08Å; E31-A34 PolarHBondContact O-N 3.09Å; E31-V35 WeakPolarHBondContact O-CG2 3.44Å; E31-V35 PolarHBondContact O-N 3.08Å
32T78.2Confident69.7Low85 Ų85113 Ų11352%0.52157%0.57SS.*Hα-helixtrans-63.6-39.3177.1510000112.1R28 E29 V35 N36R28-T32 WeakPolarHBondContact O-CB 3.37Å; R28-T32 WeakPolarHBondContact O-CG2 3.43Å; R28-T32 PolarHBondContact O-N 3.44Å; R28-T32 PolarHBondContact O-OG1 2.84Å; E29-T32 WeakPolarHBondContact CA-OG1 3.49Å; E29-T32 PolarHBondContact O-OG1 3.28Å; T32-V35 PolarHBondContact O-N 3.12Å; T32-N36 PolarHBondContact O-N 3.03Å; T32-N36 VanDerWaalsContact O-N 3.16Å; T32-N36 PolarHBondContact O-ND2 2.96Å
33A74.8Confident67.8Low47 Ų47114.8 Ų114.839%0.38858%0.58SS.*Hα-helixtrans-65.6-36.917300000112.8E29 V30 E31 N36 L37E29-A33 WeakPolarHBondContact O-CB 3.35Å; E29-A33 PolarHBondContact O-N 3.47Å; E29-A33 VanDerWaalsContact O-N 3.08Å; V30-A33 PolarHBondContact O-N 3.43Å; E31-A33 VanDerWaalsContact C-N 3.35Å; E31-A33 PolarHBondContact O-N 3.08Å; A33-N36 PolarHBondContact O-N 3.04Å; A33-L37 WeakPolarHBondContact O-CG 3.47Å; A33-L37 PolarHBondContact O-N 3.36Å; A33-L37 VanDerWaalsContact O-N 3.08Å
34A72Confident66.2Low41 Ų41117.8 Ų117.834%0.33960%0.596SS.*Hα-helixtrans-69.1-37.6177.200000112.5V30 E31 L37 N38V30-A34 WeakPolarHBondContact O-CB 3.35Å; V30-A34 PolarHBondContact O-N 2.89Å; E31-A34 PolarHBondContact O-N 3.09Å; A34-L37 PolarHBondContact O-N 2.89Å; A34-N38 WeakPolarHBondContact O-CB 3.12Å; A34-N38 VanDerWaalsContact O-CG 3.32Å; A34-N38 PolarHBondContact O-N 2.93Å; A34-N38 PolarHBondContact O-ND2 3.02Å; A34-N38 VanDerWaalsContact O-ND2 3.16Å
35V68.3Low64.2Low96 Ų96118.7 Ų118.758%0.58261%0.61SS**Hα-helixtrans-62.9-43.9173.5173.60000110.7E31 T32 L37 N38 F39E31-V35 WeakPolarHBondContact O-CG2 3.44Å; E31-V35 PolarHBondContact O-N 3.08Å; T32-V35 PolarHBondContact O-N 3.12Å; V35-L37 VanDerWaalsContact C-N 3.32Å; V35-L37 PolarHBondContact O-N 2.95Å; V35-N38 PolarHBondContact O-N 3.2Å; V35-F39 PolarHBondContact O-N 3.4Å
36N64.3Low62.1Low117 Ų117122 Ų12263%0.62663%0.631SS**Hα-helixtrans-63.8-34.7177.4-71-19.1000112.9T32 A33T32-N36 PolarHBondContact O-N 3.03Å; T32-N36 VanDerWaalsContact O-N 3.16Å; T32-N36 PolarHBondContact O-ND2 2.96Å; A33-N36 PolarHBondContact O-N 3.04Å
37L58.1Low59.7Low129 Ų129121 Ų12168%0.67564%0.643SS**Hα-helixtrans-73.4-31175.5-74.6166.2000113.1A33 A34 V35A33-L37 WeakPolarHBondContact O-CG 3.47Å; A33-L37 PolarHBondContact O-N 3.36Å; A33-L37 VanDerWaalsContact O-N 3.08Å; A34-L37 PolarHBondContact O-N 2.89Å; V35-L37 VanDerWaalsContact C-N 3.32Å; V35-L37 PolarHBondContact O-N 2.95Å
38N57.7Low57.7Low93 Ų93119.4 Ų119.450%0.49765%0.651SS.*Hα-helixtrans-83.7-23179.5-72.7-32.4000113.3A34 V35A34-N38 WeakPolarHBondContact O-CB 3.12Å; A34-N38 VanDerWaalsContact O-CG 3.32Å; A34-N38 PolarHBondContact O-N 2.93Å; A34-N38 PolarHBondContact O-ND2 3.02Å; A34-N38 VanDerWaalsContact O-ND2 3.16Å; V35-N38 PolarHBondContact O-N 3.2Å
39F45.6Very low55.8Low163 Ų163120.6 Ų120.672%0.71566%0.664SS**Hα-helixtrans-72.9-33.4173.8-161.1-99.3000111.8V35 K41V35-F39 PolarHBondContact O-N 3.4Å; F39-K41 PolarHBondContact O-N 3.3Å
40S52.4Low53.6Low105 Ų105124 Ų12473%0.73468%0.68SS**THydrogen-bonded Turntrans-77.42.2179.4-166.60000115
41K49.5Very low51.8Low183 Ų183124.9 Ų124.980%0.79669%0.685SS**THydrogen-bonded Turntrans-121.512.5-172.9-155.5170.7-179.6178.90114.1F39F39-K41 PolarHBondContact O-N 3.3Å
42R44.3Very low50.1Low199 Ų199125.6 Ų125.675%0.75169%0.693SS**SBendtrans-109.11.4-177.2-76.9-169.2174.7117-4.6115.7
43D42.9Very low48.4Very low133 Ų133125.8 Ų125.871%0.71170%0.703SS**  trans-113.984.3178.3-56-33.2000109.9
44D43Very low46.7Very low169 Ų169132 Ų13290%0.90473%0.725SS**  trans-171.489.9156.7-96.1-26.7000110.4
45V36.6Very low45.2Very low138 Ų138137.5 Ų137.584%0.83675%0.747SS**  trans-136.1120.2169.81710000107.9
46C36.2Very low43.9Very low116 Ų116137.9 Ų137.978%0.78475%0.754SS**  trans158.9110.1155.6-93.70000109.4
47T31.3Very low42.7Very low139 Ų139137.2 Ų137.285%0.85377%0.765SS**  67.212480.460.60000116.3
48G39.3Very low41.8Very low67 Ų67136.1 Ų136.169%0.69177%0.768SS**  trans131.2103.6168.600000112.1
49E38.3Very low41.2Very low191 Ų191138 Ų13889%0.89378%0.778SS**  62.5143.186.3-72.7-179.6-178.100114
50E36.1Very low41.2Very low168 Ų168138.3 Ų138.379%0.78578%0.782SS**  cis-167.1-178.3-22-118.4-173.2-171.500105.1
51T40.9Very low40.7Very low116 Ų116140.7 Ų140.771%0.71279%0.786SS**  trans85.6135.6165.9100.50000117.3
52D41.8Very low40.3Very low143 Ų143136.6 Ų136.677%0.76579%0.786SS**  cis-156141.523-84.1-58.8000114
53A42.5Very low40.2Very low89 Ų89137 Ų13774%0.73679%0.794SS**  trans36.1116.8137.700000124.5
54E39.6Very low40.1Very low178 Ų178139.4 Ų139.483%0.83280%0.798SS**  37.5129.2123.8-53-164.1165.800122.9
55L41.3Very low40Very low156 Ų156139.1 Ų139.182%0.81780%0.796SS**  -179.8128.5107.2-95.8158000114.9
56S39.3Very low40.1Very low103 Ų103138 Ų13872%0.7279%0.79SS**  trans62.1104.514269.60000123.5
57A39.5Very low40.1Very low104 Ų104140.8 Ų140.886%0.8680%0.795SS**  41.1118.3121.500000122
58S40.6Very low40.4Very low105 Ų105138.6 Ų138.673%0.73479%0.791SS**  -175126.5103.2-129.80000111.3
59D43.4Very low40.3Very low134 Ų134139.7 Ų139.772%0.71779%0.794SS**  trans66.2120.7135.6-66-39000124.4
60Q46.1Very low40.6Very low168 Ų168135.4 Ų135.479%0.78579%0.785SS**  trans108.6126.7136.6-73.217129.100119.7
61D42.2Very low40.8Very low155 Ų155132.8 Ų132.883%0.82978%0.78SS**  trans90.965.1160.6-56.5-19.9000119.9
62A40.2Very low41Very low97 Ų97133.2 Ų133.280%0.80278%0.783SS**  trans-98.8100.7154.400000111K64A62-K64 PolarHBondContact O-N 3.16Å; A62-K64 VanDerWaalsContact O-N 3.07Å
63K42.7Very low41.4Very low209 Ų209133.8 Ų133.891%0.90979%0.785SS**  trans-70.292163-77.3176.4176.6173.50109.6
64K41.9Very low41.9Very low183 Ų183134.9 Ų134.980%0.79679%0.788SS**  trans-90.9104155.8-89.2179.3175177.10107.7A62 T66A62-K64 PolarHBondContact O-N 3.16Å; A62-K64 VanDerWaalsContact O-N 3.07Å; K64-T66 VanDerWaalsContact C-N 3.32Å; K64-T66 PolarHBondContact O-N 3.16Å; K64-T66 VanDerWaalsContact O-N 3.12Å
65N39.5Very low42.4Very low163 Ų163134.8 Ų134.887%0.87279%0.787SS**  trans-76.494.2160.5-91.25.9000107.6
66T40.2Very low42.8Very low114 Ų114131.6 Ų131.670%0.69978%0.778SS**  trans-61.7138.6161.840.20000110.1K64 A68K64-T66 VanDerWaalsContact C-N 3.32Å; K64-T66 PolarHBondContact O-N 3.16Å; K64-T66 VanDerWaalsContact O-N 3.12Å; T66-A68 PolarHBondContact O-N 3.08Å; T66-A68 VanDerWaalsContact O-N 3.14Å
67I35.9Very low43.8Very low174 Ų174134.4 Ų134.489%0.89278%0.783SS**  trans-55.9111169.7-64.3157.7000107.8
68A36.5Very low44.5Very low94 Ų94134.9 Ų134.978%0.77778%0.775SS**  trans-119.688.417100000107.4T66T66-A68 PolarHBondContact O-N 3.08Å; T66-A68 VanDerWaalsContact O-N 3.14Å
69A37.4Very low44.8Very low90 Ų90135.3 Ų135.374%0.74477%0.769SS**  trans-9682.5158.800000106.5T71A69-T71 PolarHBondContact O-N 2.93Å
70S44.6Very low45.4Very low100 Ų100136.3 Ų136.370%0.69978%0.775SS**  trans-82.396.8163.870.10000107.3T72S70-T72 VanDerWaalsContact C-N 3.29Å; S70-T72 PolarHBondContact O-N 3.48Å
71T41.2Very low46Very low113 Ų113136.3 Ų136.369%0.69377%0.774SS**  trans-69.793.7162.9-52.30000107A69 L73A69-T71 PolarHBondContact O-N 2.93Å; T71-L73 HydrophobicContact CG2-CD2 4.26Å; T71-L73 HydrophobicContact CG2-CG 3.92Å; T71-L73 PolarHBondContact O-N 3.45Å
72T45.1Very low46.8Very low125 Ų125137.5 Ų137.577%0.76777%0.773SS**  trans-68.690.1159.647.30000106.8S70 S74S70-T72 VanDerWaalsContact C-N 3.29Å; S70-T72 PolarHBondContact O-N 3.48Å; T72-S74 PolarHBondContact O-N 3.3Å; T72-S74 VanDerWaalsContact O-N 3.08Å
73L50.5Low47.4Very low155 Ų155141.3 Ų141.381%0.81277%0.771SS**  trans-64.3103.1163.6-77.2163.1000106.8T71 H75T71-L73 HydrophobicContact CG2-CD2 4.26Å; T71-L73 HydrophobicContact CG2-CG 3.92Å; T71-L73 PolarHBondContact O-N 3.45Å; L73-H75 PolarHBondContact O-N 2.92Å
74S51.5Low48.6Very low113 Ų113135.6 Ų135.679%0.7975%0.751SS**  trans-59.5123.9166.748.30000108.8T72 S76T72-S74 PolarHBondContact O-N 3.3Å; T72-S74 VanDerWaalsContact O-N 3.08Å; S74-S76 PolarHBondContact O-N 3.19Å
75H50.6Low49.7Very low175 Ų175134.1 Ų134.181%0.8175%0.745SS**  trans-24.1121.2174.8-140.7-54.5000113.7L73 I77L73-H75 PolarHBondContact O-N 2.92Å; H75-I77 PolarHBondContact O-N 3.21Å
76S51Low51.3Low90 Ų90132.1 Ų132.163%0.62973%0.73SS**  trans-63.7120.3163.356.50000107.7S74 V78S74-S76 PolarHBondContact O-N 3.19Å; S76-V78 PolarHBondContact O-N 2.99Å
77I58.5Low52.7Low161 Ų161132.7 Ų132.783%0.82673%0.725SS**  trans-91.733.1-177.1-159.3157.2000111.5H75H75-I77 PolarHBondContact O-N 3.21Å
78V54.6Low54.3Low115 Ų115129.4 Ų129.470%0.69771%0.707SS**  trans-107.1103.8175.4-84.90000107S76 D80S76-V78 PolarHBondContact O-N 2.99Å; V78-D80 PolarHBondContact O-N 2.83Å
79D47.6Very low56.2Low113 Ų113130.5 Ų130.560%0.60470%0.696SS**  trans-53.8119.4-174.5-78.6-51.1000113.1Q81D79-Q81 HydrophobicContact CB-CB 4.18Å; D79-Q81 HydrophobicContact CB-CG 4.4Å; D79-Q81 PolarHBondContact O-N 3.21Å
80D55.5Low58Low156 Ų156132.3 Ų132.383%0.83469%0.689SS**THydrogen-bonded Turntrans-67.917.8161.5-65.9-31.8000112.3V78V78-D80 PolarHBondContact O-N 2.83Å
81Q59.8Low59.5Low167 Ų167133.5 Ų133.578%0.7868%0.682SS**THydrogen-bonded Turntrans-93.43.8177.1-59-166.50.200113.2D79D79-Q81 HydrophobicContact CB-CB 4.18Å; D79-Q81 HydrophobicContact CB-CG 4.4Å; D79-Q81 PolarHBondContact O-N 3.21Å
82F57.4Low61Low181 Ų181130.8 Ų130.879%0.79467%0.671SS**SBendtrans-101.93.9-175.5-127.3-91.1000115.1
83F53.8Low62.3Low176 Ų176128.8 Ų128.877%0.77266%0.656SS**  trans-114.269.3177.9-68.1-76.9000110.9F85F83-F85 PolarHBondContact O-N 2.9Å
84N67.3Low63.1Low90 Ų90124.9 Ų124.948%0.48164%0.638SS.*  trans-81.8110.3166-151.55000108.1E86 E87 M88N84-E86 PolarHBondContact O-N 3.41Å; N84-E87 HydrophobicContact CB-CB 4.35Å; N84-E87 HydrophobicContact CB-CG 4.31Å; N84-E87 PolarHBondContact O-N 2.73Å; N84-M88 PolarHBondContact O-N 3.12Å
85F66.3Low63.7Low151 Ų151123.7 Ų123.766%0.66262%0.62SS**Hα-helixtrans-58.3-33.6-173.2-140-93.1000111.9F83 E87 M88 E89F83-F85 PolarHBondContact O-N 2.9Å; F85-E87 PolarHBondContact O-N 3.39Å; F85-M88 HydrophobicContact CD2-CE 4.27Å; F85-M88 HydrophobicContact CE2-CE 4.07Å; F85-M88 HydrophobicContact CZ-CE 4.24Å; F85-M88 PolarHBondContact O-N 3.17Å; F85-E89 PolarHBondContact O-N 3.35Å; F85-E89 VanDerWaalsContact O-N 3.1Å
86E71.7Confident64.2Low121 Ų121122.7 Ų122.757%0.56562%0.616SS**Hα-helixtrans-63.1-33.6173.3-111.583.6-170.500114.1N84 Q90N84-E86 PolarHBondContact O-N 3.41Å; E86-Q90 VanDerWaalsContact O-CG 3.28Å; E86-Q90 WeakPolarHBondContact O-CG 3.33Å; E86-Q90 PolarHBondContact O-N 3.12Å; E86-Q90 VanDerWaalsContact O-N 3.12Å
87E71.1Confident64.7Low127 Ų127126.3 Ų126.359%0.59362%0.62SS**Hα-helixtrans-77.6-31.2179.2-76.5179.9167.800111.5N84 F85 F91N84-E87 HydrophobicContact CB-CB 4.35Å; N84-E87 HydrophobicContact CB-CG 4.31Å; N84-E87 PolarHBondContact O-N 2.73Å; F85-E87 PolarHBondContact O-N 3.39Å; E87-F91 WeakPolarHBondContact O-CB 3.25Å; E87-F91 PolarHBondContact O-N 3.49Å
88M68.4Low64.6Low104 Ų104123 Ų12351%0.51261%0.607SS.*Hα-helixtrans-71.2-36.1173.6-170.9170.363.200112.1N84 F85 F91 A92N84-M88 PolarHBondContact O-N 3.12Å; F85-M88 HydrophobicContact CD2-CE 4.27Å; F85-M88 HydrophobicContact CE2-CE 4.07Å; F85-M88 HydrophobicContact CZ-CE 4.24Å; F85-M88 PolarHBondContact O-N 3.17Å; M88-F91 PolarHBondContact O-N 3.41Å; M88-A92 PolarHBondContact O-N 3.27Å
89E76.1Confident64.3Low118 Ų118124 Ų12455%0.55161%0.609SS**Hα-helixtrans-68.5-40.7174.6-164.1168.4-15500111.3F85 F91 A92 D93F85-E89 PolarHBondContact O-N 3.35Å; F85-E89 VanDerWaalsContact O-N 3.1Å; E89-F91 VanDerWaalsContact C-N 3.31Å; E89-F91 PolarHBondContact O-N 3.48Å; E89-A92 PolarHBondContact O-N 2.91Å; E89-D93 PolarHBondContact O-N 3.45Å
90Q76.6Confident64.2Low128 Ų128121.8 Ų121.860%0.59861%0.613SS**Hα-helixtrans-65.4-32172.3-71.7175.336.700113E86 T94E86-Q90 VanDerWaalsContact O-CG 3.28Å; E86-Q90 WeakPolarHBondContact O-CG 3.33Å; E86-Q90 PolarHBondContact O-N 3.12Å; E86-Q90 VanDerWaalsContact O-N 3.12Å; Q90-T94 WeakPolarHBondContact O-CB 3.26Å; Q90-T94 WeakPolarHBondContact O-CG2 3.09Å; Q90-T94 PolarHBondContact O-N 3.41Å; Q90-T94 VanDerWaalsContact O-N 3.09Å; Q90-T94 PolarHBondContact O-OG1 2.94Å
91F74.5Confident63.5Low125 Ų125119.3 Ų119.355%0.54860%0.603SS.*Hα-helixtrans-70.9-40173.7-173.9-100000112.4E87 M88 E89 T94 Q95E87-F91 WeakPolarHBondContact O-CB 3.25Å; E87-F91 PolarHBondContact O-N 3.49Å; M88-F91 PolarHBondContact O-N 3.41Å; E89-F91 VanDerWaalsContact C-N 3.31Å; E89-F91 PolarHBondContact O-N 3.48Å; F91-T94 VanDerWaalsContact CA-OG1 3.29Å; F91-T94 WeakPolarHBondContact CA-OG1 3.42Å; F91-T94 PolarHBondContact O-N 3.05Å; F91-T94 PolarHBondContact O-OG1 2.76Å; F91-Q95 HydrophobicContact CD1-CG 4.24Å; F91-Q95 HydrophobicContact CE1-CG 3.78Å; F91-Q95 HydrophobicContact CE2-CG 4.38Å; F91-Q95 HydrophobicContact CZ-CG 3.87Å; F91-Q95 WeakPolarHBondContact O-CB 3.49Å; F91-Q95 WeakPolarHBondContact O-CG 3.28Å; F91-Q95 PolarHBondContact O-N 3.02Å
92A72.9Confident62.4Low56 Ų56116.3 Ų116.346%0.46360%0.601SS.*Hα-helixtrans-62.7-43.9174.400000111.6M88 E89 T94 Q95 E96M88-A92 PolarHBondContact O-N 3.27Å; E89-A92 PolarHBondContact O-N 2.91Å; A92-T94 VanDerWaalsContact C-N 3.33Å; A92-T94 PolarHBondContact O-N 3.19Å; A92-Q95 PolarHBondContact O-N 2.85Å; A92-E96 PolarHBondContact O-N 2.95Å
93D72.4Confident61.3Low83 Ų83117 Ų11744%0.44460%0.604SS.*Hα-helixtrans-67.3-30.3177.7-79.5-3.5000113.5E89 K97E89-D93 PolarHBondContact O-N 3.45Å; D93-K97 WeakPolarHBondContact O-CG 3.34Å; D93-K97 PolarHBondContact O-N 3.43Å
94T68.6Low60.4Low73 Ų73117.2 Ų117.245%0.44861%0.607SS.*Hα-helixtrans-78.4-37.1176.244.30000111.7Q90 F91 A92 K97 V98Q90-T94 WeakPolarHBondContact O-CB 3.26Å; Q90-T94 WeakPolarHBondContact O-CG2 3.09Å; Q90-T94 PolarHBondContact O-N 3.41Å; Q90-T94 VanDerWaalsContact O-N 3.09Å; Q90-T94 PolarHBondContact O-OG1 2.94Å; F91-T94 VanDerWaalsContact CA-OG1 3.29Å; F91-T94 WeakPolarHBondContact CA-OG1 3.42Å; F91-T94 PolarHBondContact O-N 3.05Å; F91-T94 PolarHBondContact O-OG1 2.76Å; A92-T94 VanDerWaalsContact C-N 3.33Å; A92-T94 PolarHBondContact O-N 3.19Å; T94-K97 PolarHBondContact O-N 2.91Å; T94-V98 WeakPolarHBondContact O-CB 3.45Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.16Å
95Q63.6Low59.3Low87 Ų87122.2 Ų122.241%0.40763%0.628SS.*Hα-helixtrans-66.2-35.4171.7-77.9-72.3-3900112.4F91 A92 K97 V98 N99F91-Q95 HydrophobicContact CD1-CG 4.24Å; F91-Q95 HydrophobicContact CE1-CG 3.78Å; F91-Q95 HydrophobicContact CE2-CG 4.38Å; F91-Q95 HydrophobicContact CZ-CG 3.87Å; F91-Q95 WeakPolarHBondContact O-CB 3.49Å; F91-Q95 WeakPolarHBondContact O-CG 3.28Å; F91-Q95 PolarHBondContact O-N 3.02Å; A92-Q95 PolarHBondContact O-N 2.85Å; Q95-K97 VanDerWaalsContact C-N 3.33Å; Q95-K97 PolarHBondContact O-N 2.92Å; Q95-V98 PolarHBondContact O-N 2.92Å; Q95-N99 PolarHBondContact O-N 3.36Å; Q95-N99 VanDerWaalsContact O-N 3.17Å; Q95-N99 PolarHBondContact O-ND2 3.08Å
96E61.6Low58Low155 Ų155122.8 Ų122.872%0.72464%0.637SS**Hα-helixtrans-69.8-30.1175.4-137.7179.9-161.600112.3A92A92-E96 PolarHBondContact O-N 2.95Å
97K60.3Low56.6Low165 Ų165124.1 Ų124.172%0.71765%0.648SS**Hα-helixtrans-79.3-26.7173.3-77.7172.3-176.9160.40114.1D93 T94 Q95D93-K97 WeakPolarHBondContact O-CG 3.34Å; D93-K97 PolarHBondContact O-N 3.43Å; T94-K97 PolarHBondContact O-N 2.91Å; Q95-K97 VanDerWaalsContact C-N 3.33Å; Q95-K97 PolarHBondContact O-N 2.92Å
98V57Low55.2Low91 Ų91125 Ų12555%0.55266%0.656SS**Hα-helixtrans-84.3-24.7-179.2173.30000112.1T94 Q95 G100 T101T94-V98 WeakPolarHBondContact O-CB 3.45Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.16Å; Q95-V98 PolarHBondContact O-N 2.92Å; V98-G100 PolarHBondContact O-N 2.87Å; V98-G100 VanDerWaalsContact O-N 3.08Å; V98-T101 PolarHBondContact O-N 3.07Å
99N47.2Very low54.3Low136 Ų136128.7 Ų128.773%0.72767%0.666SS**THydrogen-bonded Turntrans-712174.5-81.2-25.3000115.2Q95Q95-N99 PolarHBondContact O-N 3.36Å; Q95-N99 VanDerWaalsContact O-N 3.17Å; Q95-N99 PolarHBondContact O-ND2 3.08Å
100G46.6Very low52.7Low68 Ų68126.4 Ų126.470%0.70167%0.667SS**THydrogen-bonded Turntrans-96.7-0.6175.500000115.8V98V98-G100 PolarHBondContact O-N 2.87Å; V98-G100 VanDerWaalsContact O-N 3.08Å
101T39.8Very low51.3Low103 Ų103127.7 Ų127.763%0.63268%0.677SS**SBendtrans-132.1108.1-172.15.90000111.3V98 K103V98-T101 PolarHBondContact O-N 3.07Å; T101-K103 PolarHBondContact O-N 3.35Å
102S36.4Very low49.8Very low105 Ų105127.9 Ų127.973%0.73468%0.678SS**  trans1297154.753.80000117.9E104S102-E104 PolarHBondContact O-N 3.37Å
103K35.1Very low48.8Very low196 Ų196132.3 Ų132.385%0.85269%0.69SS**  14.594.8118.9-161.2179.6-161.7171.30115.4T101T101-K103 PolarHBondContact O-N 3.35Å
104E35.9Very low47.9Very low179 Ų179136.3 Ų136.384%0.83671%0.705SS**  trans169.7149.3146-93154.1-156.600107.4S102S102-E104 PolarHBondContact O-N 3.37Å
105E42.8Very low47.3Very low195 Ų195137.5 Ų137.591%0.91171%0.709SS**  trans90.851.7178.9-48.8-179.4-178.300116.3
106L39.6Very low47Very low163 Ų163136.9 Ų136.985%0.85371%0.709SS**  trans-85.2114.3141.5-83.5157.6000106.2
107D41.3Very low47.2Very low150 Ų150132.8 Ų132.880%0.80270%0.697SS**  trans170.43.4151.6-85.3-10.6000114.9Y109D107-Y109 PolarHBondContact O-N 3.39Å
108D43.5Very low47.8Very low144 Ų144129.3 Ų129.377%0.7769%0.686SS**  trans-104.556.9-173.9-78.7-1.9000114.8
109Y48.4Very low48.4Very low182 Ų182130.1 Ų130.171%0.71469%0.685SS**  trans-14242.2158.5-78.4-73.9000112.7D107 L111D107-Y109 PolarHBondContact O-N 3.39Å; Y109-L111 PolarHBondContact O-N 3.39Å
110A42.9Very low49.9Very low70 Ų70127.5 Ų127.558%0.57967%0.674SS**THydrogen-bonded Turntrans-76.334.7168.300000113.4
111L47.4Very low51.6Low155 Ų155128.3 Ų128.381%0.81267%0.668SS**THydrogen-bonded Turntrans-145.330.2-177-148.974.1000113.4Y109Y109-L111 PolarHBondContact O-N 3.39Å
112F41.9Very low53.7Low130 Ų130128.1 Ų128.157%0.5766%0.66SS**  trans-144.852.8160-78-85.3000108.2E114 D115 D116F112-E114 PolarHBondContact O-N 3.08Å; F112-D115 PolarHBondContact O-N 3.12Å; F112-D116 PolarHBondContact O-N 2.85Å
113E51.6Low56.1Low149 Ų149130.2 Ų130.270%0.69666%0.656SS**THydrogen-bonded Turntrans-64-12.5-164.6-70.7-179.3145.900115.3S117E113-S117 PolarHBondContact O-OG 3.31Å
114E54.1Low58.6Low166 Ų166128.9 Ų128.978%0.77665%0.647SS**THydrogen-bonded Turntrans-93.3-28.3174.4-65.5-173.7167.900113.5F112 N118F112-E114 PolarHBondContact O-N 3.08Å; E114-N118 PolarHBondContact O-ND2 3.24Å; E114-N118 VanDerWaalsContact O-ND2 3.07Å
115D55.8Low61.2Low98 Ų98128.2 Ų128.252%0.52464%0.637SS.*Hα-helixtrans-87.8-35.5-174-73.9-30.4000113.1F112 N118 M119F112-D115 PolarHBondContact O-N 3.12Å; D115-N118 PolarHBondContact O-N 3.04Å; D115-M119 PolarHBondContact O-N 2.83Å
116D56.6Low63.5Low75 Ų75122.1 Ų122.140%0.40161%0.613SS.*Hα-helixtrans-70.6-35.1176.4-72.4-23.8000112.2F112 N118 M119 V120F112-D116 PolarHBondContact O-N 2.85Å; D116-N118 VanDerWaalsContact C-N 3.26Å; D116-N118 PolarHBondContact O-N 3.19Å; D116-M119 PolarHBondContact O-N 3.28Å; D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.16Å
117S66.2Low66.1Low68 Ų68118.6 Ų118.648%0.47659%0.594SS.*Hα-helixtrans-59-40.2173.1-65.70000111.4E113 C121E113-S117 PolarHBondContact O-OG 3.31Å; S117-C121 VanDerWaalsContact O-CB 3.29Å; S117-C121 WeakPolarHBondContact O-CB 3.47Å; S117-C121 PolarHBondContact O-N 2.75Å; S117-C121 PolarHBondContact O-SG 2.93Å
118N72.5Confident68.6Low92 Ų92119.2 Ų119.249%0.49259%0.585SS.*Hα-helixtrans-68.5-41.8177.7-74.5-31.5000111.8E114 D115 D116 C121 Q122E114-N118 PolarHBondContact O-ND2 3.24Å; E114-N118 VanDerWaalsContact O-ND2 3.07Å; D115-N118 PolarHBondContact O-N 3.04Å; D116-N118 VanDerWaalsContact C-N 3.26Å; D116-N118 PolarHBondContact O-N 3.19Å; N118-C121 PolarHBondContact O-N 3.01Å; N118-Q122 VanDerWaalsContact O-CG 3.28Å; N118-Q122 WeakPolarHBondContact O-CG 3.34Å; N118-Q122 PolarHBondContact O-N 2.7Å
119M69.7Low71Confident109 Ų109116.1 Ų116.154%0.53757%0.568SS.*Hα-helixtrans-63-47.1177.6-75-94.672.300112.1D115 D116 C121 Q122 F123D115-M119 PolarHBondContact O-N 2.83Å; D116-M119 PolarHBondContact O-N 3.28Å; M119-C121 PolarHBondContact O-N 3.44Å; M119-Q122 WeakPolarHBondContact O-CB 3.22Å; M119-Q122 PolarHBondContact O-N 3.26Å; M119-Q122 VanDerWaalsContact O-N 3.15Å; M119-F123 PolarHBondContact O-N 3.23Å
120V79.1Confident73.3Confident81 Ų81112.9 Ų112.949%0.49156%0.559SS.*Hα-helixtrans-62.6-44177.3173.80000110.6D116 Q122 F123 Y124D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.16Å; V120-Q122 VanDerWaalsContact C-N 3.27Å; V120-Q122 PolarHBondContact O-N 3.37Å; V120-F123 PolarHBondContact O-N 2.84Å; V120-Y124 HydrophobicContact CG1-CD2 3.69Å; V120-Y124 HydrophobicContact CG1-CE2 3.48Å; V120-Y124 VanDerWaalsContact CG1-CE2 3.48Å; V120-Y124 VanDerWaalsContact O-CD2 3.23Å; V120-Y124 WeakPolarHBondContact O-CD2 3.36Å; V120-Y124 PolarHBondContact O-N 2.94Å
121C82.7Confident75.7Confident85 Ų85116.3 Ų116.357%0.57456%0.563SS**Hα-helixtrans-59.7-37174.6-74.50000112.6S117 N118 M119 R125S117-C121 VanDerWaalsContact O-CB 3.29Å; S117-C121 WeakPolarHBondContact O-CB 3.47Å; S117-C121 PolarHBondContact O-N 2.75Å; S117-C121 PolarHBondContact O-SG 2.93Å; N118-C121 PolarHBondContact O-N 3.01Å; M119-C121 PolarHBondContact O-N 3.44Å; C121-R125 WeakPolarHBondContact O-CB 3.48Å; C121-R125 PolarHBondContact O-N 2.98Å
122Q84.6Confident77.9Confident99 Ų99113.5 Ų113.546%0.46355%0.546SS..Hα-helixtrans-67.3-42.7175.2-74.4-178.23200112.1N118 M119 V120 R125 V126N118-Q122 VanDerWaalsContact O-CG 3.28Å; N118-Q122 WeakPolarHBondContact O-CG 3.34Å; N118-Q122 PolarHBondContact O-N 2.7Å; M119-Q122 WeakPolarHBondContact O-CB 3.22Å; M119-Q122 PolarHBondContact O-N 3.26Å; M119-Q122 VanDerWaalsContact O-N 3.15Å; V120-Q122 VanDerWaalsContact C-N 3.27Å; V120-Q122 PolarHBondContact O-N 3.37Å; Q122-R125 WeakPolarHBondContact O-CA 3.5Å; Q122-R125 VanDerWaalsContact O-CB 3.32Å; Q122-R125 WeakPolarHBondContact O-CB 3.36Å; Q122-R125 PolarHBondContact O-N 3.27Å; Q122-R125 VanDerWaalsContact O-N 3.1Å; Q122-V126 WeakPolarHBondContact O-CG2 3.45Å; Q122-V126 PolarHBondContact O-N 3.25Å
123F85.3Confident80.3Confident149 Ų149114 Ų11465%0.65456%0.555SS**Hα-helixtrans-61.1-46.9177.5-123.2-78.5000111.9M119 V120 R125 V126 I127M119-F123 PolarHBondContact O-N 3.23Å; V120-F123 PolarHBondContact O-N 2.84Å; F123-R125 PolarHBondContact O-N 3.23Å; F123-V126 PolarHBondContact O-N 3.43Å; F123-V126 VanDerWaalsContact O-N 3.15Å; F123-I127 HydrophobicContact CD1-CD1 4.35Å; F123-I127 WeakPolarHBondContact O-CG1 3.41Å; F123-I127 PolarHBondContact O-N 3.15Å; F123-I127 VanDerWaalsContact O-N 3.07Å
124Y88.4Confident82.3Confident167 Ų167114.3 Ų114.366%0.65556%0.56SS**Hα-helixtrans-60.4-35.2173.4-79.5-69.4000112.3V120 R128V120-Y124 HydrophobicContact CG1-CD2 3.69Å; V120-Y124 HydrophobicContact CG1-CE2 3.48Å; V120-Y124 VanDerWaalsContact CG1-CE2 3.48Å; V120-Y124 VanDerWaalsContact O-CD2 3.23Å; V120-Y124 WeakPolarHBondContact O-CD2 3.36Å; V120-Y124 PolarHBondContact O-N 2.94Å; Y124-R128 WeakPolarHBondContact O-CB 3.47Å; Y124-R128 PolarHBondContact O-N 2.77Å; Y124-R128 VanDerWaalsContact O-N 3.11Å
125R91.4Very high84.2Confident165 Ų165108.8 Ų108.862%0.62354%0.543SS*.Hα-helixtrans-64.9-42.8173.9-172.1177.183.9162.83.6112.1C121 Q122 F123 R128 L129C121-R125 WeakPolarHBondContact O-CB 3.48Å; C121-R125 PolarHBondContact O-N 2.98Å; Q122-R125 WeakPolarHBondContact O-CA 3.5Å; Q122-R125 VanDerWaalsContact O-CB 3.32Å; Q122-R125 WeakPolarHBondContact O-CB 3.36Å; Q122-R125 PolarHBondContact O-N 3.27Å; Q122-R125 VanDerWaalsContact O-N 3.1Å; F123-R125 PolarHBondContact O-N 3.23Å; R125-R128 PolarHBondContact O-N 2.96Å; R125-L129 HydrophobicContact CG-CD1 4.02Å; R125-L129 HydrophobicContact CG-CG 4.5Å; R125-L129 WeakPolarHBondContact O-CB 3.44Å; R125-L129 VanDerWaalsContact O-CG 3.29Å; R125-L129 WeakPolarHBondContact O-CG 3.31Å; R125-L129 PolarHBondContact O-N 3.14Å
126V91.2Very high85.9Confident68 Ų68110.1 Ų110.141%0.41256%0.557SS.*Hα-helixtrans-62.5-51179.3172.40000110.4Q122 F123 R128 L129 E130Q122-V126 WeakPolarHBondContact O-CG2 3.45Å; Q122-V126 PolarHBondContact O-N 3.25Å; F123-V126 PolarHBondContact O-N 3.43Å; F123-V126 VanDerWaalsContact O-N 3.15Å; V126-R128 VanDerWaalsContact C-N 3.3Å; V126-R128 PolarHBondContact O-N 3.01Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-L129 VanDerWaalsContact O-N 3.07Å; V126-E130 HydrophobicContact CG1-CG 4.32Å; V126-E130 WeakPolarHBondContact O-CG 3.45Å; V126-E130 PolarHBondContact O-N 3.18Å
127I93Very high87.6Confident88 Ų88113.7 Ų113.745%0.45157%0.569SS.*Hα-helixtrans-58.1-44.5179.3-65.3169.7000110.9F123 L129 E130 E131F123-I127 HydrophobicContact CD1-CD1 4.35Å; F123-I127 WeakPolarHBondContact O-CG1 3.41Å; F123-I127 PolarHBondContact O-N 3.15Å; F123-I127 VanDerWaalsContact O-N 3.07Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 2.91Å; I127-E130 PolarHBondContact O-N 3.45Å; I127-E131 PolarHBondContact O-N 3.27Å
128R94.2Very high88.9Confident163 Ų163113.8 Ų113.862%0.61557%0.568SS**Hα-helixtrans-59.7-43176.4-179.5-176.9163.9-164.4-8.3112.2Y124 R125 V126 E132Y124-R128 WeakPolarHBondContact O-CB 3.47Å; Y124-R128 PolarHBondContact O-N 2.77Å; Y124-R128 VanDerWaalsContact O-N 3.11Å; R125-R128 PolarHBondContact O-N 2.96Å; V126-R128 VanDerWaalsContact C-N 3.3Å; V126-R128 PolarHBondContact O-N 3.01Å; R128-E132 IonicContact CZ-OE1 3.3Å; R128-E132 VanDerWaalsContact CZ-OE1 3.3Å; R128-E132 IonicContact NE-OE1 2.78Å; R128-E132 PolarHBondContact NE-OE1 2.8Å; R128-E132 IonicContact NH2-OE1 2.95Å; R128-E132 PolarHBondContact NH2-OE1 3.17Å; R128-E132 WeakPolarHBondContact O-CB 3.42Å; R128-E132 VanDerWaalsContact O-CG 3.28Å; R128-E132 WeakPolarHBondContact O-CG 3.2Å; R128-E132 PolarHBondContact O-N 3.23Å
129L95Very high89.8Confident79 Ų79111.5 Ų111.541%0.41455%0.553SS.*Hα-helixtrans-70.9-34.9179.3-72.4171000112.6R125 V126 I127 N133R125-L129 HydrophobicContact CG-CD1 4.02Å; R125-L129 HydrophobicContact CG-CG 4.5Å; R125-L129 WeakPolarHBondContact O-CB 3.44Å; R125-L129 VanDerWaalsContact O-CG 3.29Å; R125-L129 WeakPolarHBondContact O-CG 3.31Å; R125-L129 PolarHBondContact O-N 3.14Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-L129 VanDerWaalsContact O-N 3.07Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 2.91Å; L129-N133 WeakPolarHBondContact O-CB 3.49Å; L129-N133 VanDerWaalsContact O-CG 3.3Å; L129-N133 PolarHBondContact O-N 2.72Å; L129-N133 PolarHBondContact O-ND2 3.17Å
130E94.8Very high90.9Very high114 Ų114110.8 Ų110.853%0.53355%0.548SS..Hα-helixtrans-64.2-44.3173.8-7317817000111.3V126 I127 N133 L134V126-E130 HydrophobicContact CG1-CG 4.32Å; V126-E130 WeakPolarHBondContact O-CG 3.45Å; V126-E130 PolarHBondContact O-N 3.18Å; I127-E130 PolarHBondContact O-N 3.45Å; E130-N133 PolarHBondContact O-N 3.32Å; E130-L134 WeakPolarHBondContact O-CG 3.32Å; E130-L134 PolarHBondContact O-N 3.45Å; E130-L134 VanDerWaalsContact O-N 3.08Å
131E95Very high91.4Very high142 Ų142112.6 Ų112.666%0.66456%0.555SS**Hα-helixtrans-64-45.3175.1-171.9176.5-16800111.9I127 N133 L134 A135I127-E131 PolarHBondContact O-N 3.27Å; E131-N133 VanDerWaalsContact C-N 3.27Å; E131-N133 PolarHBondContact O-N 3.5Å; E131-L134 PolarHBondContact O-N 3.3Å; E131-A135 PolarHBondContact O-N 2.78Å
132E93Very high91.9Very high96 Ų96112.1 Ų112.145%0.44955%0.549SS..Hα-helixtrans-60-35.2175.9-76.7176.5-172.900112.2R128R128-E132 IonicContact CZ-OE1 3.3Å; R128-E132 VanDerWaalsContact CZ-OE1 3.3Å; R128-E132 IonicContact NE-OE1 2.78Å; R128-E132 PolarHBondContact NE-OE1 2.8Å; R128-E132 IonicContact NH2-OE1 2.95Å; R128-E132 PolarHBondContact NH2-OE1 3.17Å; R128-E132 WeakPolarHBondContact O-CB 3.42Å; R128-E132 VanDerWaalsContact O-CG 3.28Å; R128-E132 WeakPolarHBondContact O-CG 3.2Å; R128-E132 PolarHBondContact O-N 3.23Å
133N92.2Very high92.3Very high140 Ų140110.3 Ų110.375%0.74956%0.557SS**Hα-helixtrans-76-29.3177.7-80.2-27.6000113.9L129 E130 E131L129-N133 WeakPolarHBondContact O-CB 3.49Å; L129-N133 VanDerWaalsContact O-CG 3.3Å; L129-N133 PolarHBondContact O-N 2.72Å; L129-N133 PolarHBondContact O-ND2 3.17Å; E130-N133 PolarHBondContact O-N 3.32Å; E131-N133 VanDerWaalsContact C-N 3.27Å; E131-N133 PolarHBondContact O-N 3.5Å
134L93.9Very high92.6Very high156 Ų156112.7 Ų112.782%0.81757%0.57SS**Hα-helixtrans-79.4-25.8176-70.7171.1000112.4E130 E131E130-L134 WeakPolarHBondContact O-CG 3.32Å; E130-L134 PolarHBondContact O-N 3.45Å; E130-L134 VanDerWaalsContact O-N 3.08Å; E131-L134 PolarHBondContact O-N 3.3Å
135A93.5Very high92.9Very high51 Ų51106.8 Ų106.842%0.42155%0.551SS.*SBendtrans-66.1152.9177.100000112.8E131 K137E131-A135 PolarHBondContact O-N 2.78Å; A135-K137 PolarHBondContact O-N 2.78Å
136P91.8Very high93Very high126 Ų126104.4 Ų104.482%0.81855%0.551SS**PPolyproline II helixtrans-63.3136.2175.727-34.3000110.8
137K92.8Very high93Very high150 Ų150104.6 Ų104.665%0.65256%0.56SS**PPolyproline II helixtrans-57.3138.2177.4-66.7-179.4-179.1-179.80110.2A135 L141 V142A135-K137 PolarHBondContact O-N 2.78Å; K137-L141 HydrophobicContact CB-CB 4.16Å; K137-L141 HydrophobicContact CD-CB 4.44Å; K137-V142 HydrophobicContact CB-CG2 4.26Å
138P92Very high93Very high70 Ų70108.6 Ų108.646%0.45558%0.581SS.*PPolyproline II helixtrans-62.4153.1173.730-36.3000109.5E140 L141P138-E140 PolarHBondContact O-N 3.36Å; P138-L141 HydrophobicContact CG-CB 4.43Å; P138-L141 HydrophobicContact CG-CD1 3.57Å; P138-L141 PolarHBondContact O-N 2.96Å
139W92.5Very high92.9Very high44 Ų44105.8 Ų105.817%0.16758%0.582CS.*G310 helixtrans-52.8-26.8-176.470.6-90.2000113.4L141 V142 V145 R150 S154 K158W139-L141 VanDerWaalsContact C-N 3.3Å; W139-L141 PolarHBondContact O-N 3.37Å; W139-V142 PolarHBondContact O-N 3.25Å; W139-V145 HydrophobicContact CB-CG1 4.33Å; W139-V145 HydrophobicContact CE3-CG1 4.25Å; W139-V145 VanDerWaalsContact O-CG2 3.22Å; W139-V145 WeakPolarHBondContact O-CG2 3.31Å; W139-R150 HydrophobicContact CB-CB 4.45Å; W139-R150 HydrophobicContact CD2-CB 3.84Å; W139-R150 HydrophobicContact CE3-CB 4.09Å; W139-R150 HydrophobicContact CG-CB 3.99Å; W139-S154 WeakPolarHBondContact CZ2-OG 3.28Å; W139-S154 PolarHBondContact NE1-OG 3.1Å; W139-K158 HydrophobicContact CH2-CG 4.08Å; W139-K158 HydrophobicContact CZ2-CG 3.97Å
140E92Very high92.8Very high94 Ų94105.7 Ų105.744%0.43958%0.576SS.*G310 helixtrans-63.9-30.7176.2-63.5167.7-132.200113.9P138 K158P138-E140 PolarHBondContact O-N 3.36Å; E140-K158 WeakPolarHBondContact OE1-CE 3.42Å; E140-K158 IonicContact OE1-NZ 3.73Å; E140-K158 PolarHBondContact OE1-NZ 3.44Å; E140-K158 VanDerWaalsContact OE2-CE 3.31Å; E140-K158 WeakPolarHBondContact OE2-CE 3.46Å; E140-K158 IonicContact OE2-NZ 3.26Å; E140-K158 PolarHBondContact OE2-NZ 2.94Å
141L91Very high92.7Very high119 Ų119104 Ų10462%0.62358%0.575SS**G310 helixtrans-94-0-179.9-84.588.2000112.8K137 P138 W139K137-L141 HydrophobicContact CB-CB 4.16Å; K137-L141 HydrophobicContact CD-CB 4.44Å; P138-L141 HydrophobicContact CG-CB 4.43Å; P138-L141 HydrophobicContact CG-CD1 3.57Å; P138-L141 PolarHBondContact O-N 2.96Å; W139-L141 VanDerWaalsContact C-N 3.3Å; W139-L141 PolarHBondContact O-N 3.37Å
142V92Very high92.7Very high74 Ų74106 Ų10645%0.44858%0.584SS.*SBendtrans-97.5133.6177.8-174.20000108.3K137 W139 V145K137-V142 HydrophobicContact CB-CG2 4.26Å; W139-V142 PolarHBondContact O-N 3.25Å; V142-V145 HydrophobicContact CB-CG2 3.97Å; V142-V145 HydrophobicContact CG1-CG2 4.3Å; V142-V145 WeakPolarHBondContact O-CG2 3.45Å
143G93.4Very high92.7Very high62 Ų62107.3 Ų107.364%0.63959%0.594SS**SBendtrans-73.3159.5170.100000112V145G143-V145 PolarHBondContact O-N 3.13Å
144E92.6Very high92.7Very high198 Ų198101.3 Ų101.393%0.92556%0.563SS**SBendtrans56.242170.6-56.4-178.2-178.700114.7N146E144-N146 PolarHBondContact O-N 3.46Å
145V93Very high92.6Very high43 Ų4397.5 Ų97.526%0.26154%0.544SS..  trans-73.4121.3-177-176.80000112.8W139 V142 G143 V149 R150W139-V145 HydrophobicContact CB-CG1 4.33Å; W139-V145 HydrophobicContact CE3-CG1 4.25Å; W139-V145 VanDerWaalsContact O-CG2 3.22Å; W139-V145 WeakPolarHBondContact O-CG2 3.31Å; V142-V145 HydrophobicContact CB-CG2 3.97Å; V142-V145 HydrophobicContact CG1-CG2 4.3Å; V142-V145 WeakPolarHBondContact O-CG2 3.45Å; G143-V145 PolarHBondContact O-N 3.13Å; V145-V149 HydrophobicContact CG1-CB 4.27Å; V145-R150 HydrophobicContact CG1-CB 4.28Å
146N93.3Very high92.5Very high115 Ų115102 Ų10262%0.61556%0.56SS**  trans-77.6152.3171-72.9-28.8000112.2E144 L148 V149E144-N146 PolarHBondContact O-N 3.46Å; N146-L148 PolarHBondContact O-N 2.9Å; N146-L148 VanDerWaalsContact O-N 3.09Å; N146-V149 HydrophobicContact CB-CG2 4.42Å; N146-V149 PolarHBondContact O-N 3.02Å
147A93Very high92.5Very high73 Ų73102.4 Ų102.460%0.60356%0.555SS**THydrogen-bonded Turntrans-59-24.818000000114.2
148L92.4Very high92.3Very high171 Ų17198.9 Ų98.990%0.89554%0.54SS*.THydrogen-bonded Turntrans-76.1-24178.8-61.4173.1000113.7N146N146-L148 PolarHBondContact O-N 2.9Å; N146-L148 VanDerWaalsContact O-N 3.09Å
149V91.5Very high92.4Very high104 Ų104101.8 Ų101.863%0.6356%0.561SS**THydrogen-bonded Turntrans-86.4-31.5-174.9178.10000111.2V145 N146V145-V149 HydrophobicContact CG1-CB 4.27Å; N146-V149 HydrophobicContact CB-CG2 4.42Å; N146-V149 PolarHBondContact O-N 3.02Å
150R92.8Very high92.3Very high78 Ų78104.5 Ų104.529%0.29458%0.579SS.*SBendtrans-86.8151.1177.870.4-179.2-174.3-155.90.6111.3W139 V145W139-R150 HydrophobicContact CB-CB 4.45Å; W139-R150 HydrophobicContact CD2-CB 3.84Å; W139-R150 HydrophobicContact CE3-CB 4.09Å; W139-R150 HydrophobicContact CG-CB 3.99Å; V145-R150 HydrophobicContact CG1-CB 4.28Å
151P94Very high92.4Very high79 Ų79108.8 Ų108.851%0.51360%0.604SS.*PPolyproline II helixtrans-59151.8170.4-21.833000112.4S154P151-S154 VanDerWaalsContact O-CB 3.28Å; P151-S154 WeakPolarHBondContact O-CB 3.43Å; P151-S154 PolarHBondContact O-N 3.42Å
152E93.9Very high92.5Very high183 Ų183110.8 Ų110.886%0.85561%0.608SS**THydrogen-bonded Turntrans-57.8141.9175.9-63.7-172.6168.200111.2S154E152-S154 PolarHBondContact O-N 3.01Å
153N92.5Very high92.6Very high124 Ų124115.2 Ų115.266%0.66363%0.629SS**THydrogen-bonded Turntrans57.76.3-179.6-59.8-38000117L155 L156N153-L155 PolarHBondContact O-N 3.39Å; N153-L156 HydrophobicContact CB-CD1 4.35Å; N153-L156 PolarHBondContact O-N 3.23Å
154S92.3Very high92.6Very high14 Ų14119.8 Ų119.810%0.09863%0.627CS.*Hα-helixtrans-62-20-178.4-1670000114.3W139 P151 E152 L156W139-S154 WeakPolarHBondContact CZ2-OG 3.28Å; W139-S154 PolarHBondContact NE1-OG 3.1Å; P151-S154 VanDerWaalsContact O-CB 3.28Å; P151-S154 WeakPolarHBondContact O-CB 3.43Å; P151-S154 PolarHBondContact O-N 3.42Å; E152-S154 PolarHBondContact O-N 3.01Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 3.28Å
155L91.4Very high92.7Very high76 Ų76115.5 Ų115.540%0.39863%0.625SS.*Hα-helixtrans-68.5-27.9175.2-177.261.4000113.2N153 D157 K158 L160N153-L155 PolarHBondContact O-N 3.39Å; L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 2.82Å; L155-K158 PolarHBondContact O-N 2.85Å; L155-L160 HydrophobicContact CD1-CD1 3.42Å; L155-L160 VanDerWaalsContact CD1-CD1 3.42Å; L155-L160 HydrophobicContact CD1-CG 4.23Å
156L92.5Very high92.8Very high145 Ų145118 Ų11876%0.75964%0.64SS**Hα-helixtrans-70.5-29.5-179-64.7177.1000112.1N153 S154 K158N153-L156 HydrophobicContact CB-CD1 4.35Å; N153-L156 PolarHBondContact O-N 3.23Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 3.28Å; L156-K158 VanDerWaalsContact C-N 3.35Å
157D91.3Very high92.8Very high135 Ų135124.2 Ų124.272%0.72266%0.655SS**Hα-helixtrans-78.6-22-179.8-60.3-26.8000112.3L155L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 2.82Å
158K89.6Confident92.7Very high76 Ų76126.2 Ų126.233%0.3366%0.655SS.*SBendtrans-103.1125.1-172-59.9-65.9172.2165.70111.5W139 E140 L155 L156 L160W139-K158 HydrophobicContact CH2-CG 4.08Å; W139-K158 HydrophobicContact CZ2-CG 3.97Å; E140-K158 WeakPolarHBondContact OE1-CE 3.42Å; E140-K158 IonicContact OE1-NZ 3.73Å; E140-K158 PolarHBondContact OE1-NZ 3.44Å; E140-K158 VanDerWaalsContact OE2-CE 3.31Å; E140-K158 WeakPolarHBondContact OE2-CE 3.46Å; E140-K158 IonicContact OE2-NZ 3.26Å; E140-K158 PolarHBondContact OE2-NZ 2.94Å; L155-K158 PolarHBondContact O-N 2.85Å; L156-K158 VanDerWaalsContact C-N 3.35Å; K158-L160 PolarHBondContact O-N 2.85Å
159S92.6Very high92.8Very high130 Ų130123.2 Ų123.291%0.90965%0.646SS**  trans-83.387.9175.5-65.30000110.9
160L91Very high92.9Very high102 Ų102124 Ų12453%0.53465%0.653SS.*  trans-90.1141.5176.4-58.2-178.3000111.7L155 K158L155-L160 HydrophobicContact CD1-CD1 3.42Å; L155-L160 VanDerWaalsContact CD1-CD1 3.42Å; L155-L160 HydrophobicContact CD1-CG 4.23Å; K158-L160 PolarHBondContact O-N 2.85Å
161L93.5Very high93Very high183 Ų183127.2 Ų127.296%0.95868%0.675SS**  trans-92.3125.9170-61.5178.5000109.3
162F93Very high93Very high162 Ų162130.2 Ų130.271%0.71169%0.685SS**  trans-142.7150.417861.4-88.7000110.4
163D94.5Very high93.2Very high166 Ų166124.4 Ų124.489%0.88866%0.662SS**  trans-80.1148.8178.2-72.3-24.4000111.8
164R94.2Very high93.4Very high159 Ų159123.1 Ų123.160%0.666%0.66SS**  trans-112.9128.8176.6-165.8177.8177.889.74.8110.5T166 L168R164-T166 VanDerWaalsContact C-N 3.29Å; R164-T166 PolarHBondContact O-N 3.46Å; R164-L168 VanDerWaalsContact CZ-CD2 3.42Å; R164-L168 VanDerWaalsContact NH2-CD2 3.26Å
165A94.1Very high93.6Very high107 Ų107128.2 Ų128.288%0.88468%0.683SS**SBendtrans-66.2-24.8-176.500000114.7
166T94.9Very high93.8Very high96 Ų96127 Ų12759%0.58968%0.68SS**SBendtrans-135.4148.7-174.558.20000112.4R164R164-T166 VanDerWaalsContact C-N 3.29Å; R164-T166 PolarHBondContact O-N 3.46Å
167R93.5Very high94.1Very high246 Ų246122.6 Ų122.693%0.92866%0.66SS**PPolyproline II helixtrans-67.5133.1170.4-65.8-177.5178.1178.1-0.3109.2
168L92.1Very high94.3Very high115 Ų115122.4 Ų122.460%0.60265%0.654SS**PPolyproline II helixtrans-66.9145.8174.4-72171.5000110.5R164R164-L168 VanDerWaalsContact CZ-CD2 3.42Å; R164-L168 VanDerWaalsContact NH2-CD2 3.26Å
169P93.6Very high94.7Very high107 Ų107125.7 Ų125.770%0.69567%0.669SS**PPolyproline II helixtrans-60.3135.8170.526.7-33.2000109.3
170P93.9Very high94.9Very high120 Ų120123.9 Ų123.978%0.77965%0.648SS**PPolyproline II helixtrans-66.5137-179.627.6-33.9000110.6
171I94.6Very high95.2Very high147 Ų147123.2 Ų123.275%0.75464%0.643SS**PPolyproline II helixtrans-73.5132.3174.7-59.4169.1000108.4T173I171-T173 PolarHBondContact O-N 3.32Å
172I94.8Very high95.3Very high142 Ų142117.4 Ų117.473%0.72862%0.621SS**  trans-7792.5179.9-55.2171.3000108.5
173T96.9Very high95.5Very high60 Ų60113.8 Ų113.837%0.36861%0.607SS.*  trans-84.9154.7174.362.20000111I171 E175 S176 T177I171-T173 PolarHBondContact O-N 3.32Å; T173-E175 PolarHBondContact O-N 2.9Å; T173-S176 WeakPolarHBondContact O-CB 3.25Å; T173-S176 PolarHBondContact O-N 3.33Å; T173-S176 PolarHBondContact OG1-N 3.35Å; T173-T177 PolarHBondContact O-N 2.96Å; T173-T177 PolarHBondContact O-OG1 2.84Å
174P97.1Very high95.4Very high97 Ų97110.8 Ų110.863%0.6359%0.59SS**Hα-helixtrans-56-38.5176.121.8-33.2000112.1S176 T177 E178P174-S176 VanDerWaalsContact C-N 3.33Å; P174-S176 PolarHBondContact O-N 3.38Å; P174-T177 WeakPolarHBondContact O-CB 3.37Å; P174-T177 PolarHBondContact O-N 3.35Å; P174-T177 VanDerWaalsContact O-N 3.16Å; P174-E178 WeakPolarHBondContact O-CG 3.44Å; P174-E178 PolarHBondContact O-N 3.18Å
175E96Very high95.5Very high122 Ų122109.5 Ų109.557%0.5759%0.589SS**Hα-helixtrans-60.2-38.2176-58.8-177.9-179.200113.5T173 K179T173-E175 PolarHBondContact O-N 2.9Å; E175-K179 VanDerWaalsContact O-CG 3.29Å; E175-K179 WeakPolarHBondContact O-CG 3.23Å; E175-K179 PolarHBondContact O-N 3.35Å; E175-K179 VanDerWaalsContact O-N 3.11Å
176S97.1Very high95.5Very high50 Ų50112.8 Ų112.835%0.3558%0.578SS.*Hα-helixtrans-66.2-42.4176.8-173.10000110.6T173 P174 K179 L180T173-S176 WeakPolarHBondContact O-CB 3.25Å; T173-S176 PolarHBondContact O-N 3.33Å; T173-S176 PolarHBondContact OG1-N 3.35Å; P174-S176 VanDerWaalsContact C-N 3.33Å; P174-S176 PolarHBondContact O-N 3.38Å; S176-K179 PolarHBondContact O-N 2.83Å; S176-L180 WeakPolarHBondContact O-CG 3.41Å; S176-L180 PolarHBondContact O-N 3.46Å
177T97.3Very high95.4Very high53 Ų53113.4 Ų113.433%0.32557%0.57SS.*Hα-helixtrans-63.8-44.6175.9-55.60000111.6T173 P174 K179 L180 E181T173-T177 PolarHBondContact O-N 2.96Å; T173-T177 PolarHBondContact O-OG1 2.84Å; P174-T177 WeakPolarHBondContact O-CB 3.37Å; P174-T177 PolarHBondContact O-N 3.35Å; P174-T177 VanDerWaalsContact O-N 3.16Å; T177-K179 VanDerWaalsContact C-N 3.33Å; T177-K179 PolarHBondContact O-N 2.87Å; T177-L180 WeakPolarHBondContact O-CB 3.19Å; T177-L180 PolarHBondContact O-N 2.91Å; T177-L180 VanDerWaalsContact O-N 3.16Å; T177-E181 WeakPolarHBondContact O-CG 3.4Å; T177-E181 PolarHBondContact O-N 3.48Å
178E97.2Very high95.3Very high130 Ų130106.7 Ų106.761%0.60756%0.556SS**Hα-helixtrans-59.2-42.2176.3-73.9176-170.900112.4P174 E181 A182P174-E178 WeakPolarHBondContact O-CG 3.44Å; P174-E178 PolarHBondContact O-N 3.18Å; E178-E181 PolarHBondContact O-N 3.19Å; E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3Å
179K97.2Very high95.3Very high145 Ų145109.6 Ų109.663%0.6356%0.563SS**Hα-helixtrans-63-43.3175-72.1169.2-173.3168.70111.7E175 S176 T177 A182 M183E175-K179 VanDerWaalsContact O-CG 3.29Å; E175-K179 WeakPolarHBondContact O-CG 3.23Å; E175-K179 PolarHBondContact O-N 3.35Å; E175-K179 VanDerWaalsContact O-N 3.11Å; S176-K179 PolarHBondContact O-N 2.83Å; T177-K179 VanDerWaalsContact C-N 3.33Å; T177-K179 PolarHBondContact O-N 2.87Å; K179-A182 PolarHBondContact O-N 2.9Å; K179-M183 PolarHBondContact O-N 3.33Å; K179-M183 VanDerWaalsContact O-N 3.12Å
180L97Very high95.3Very high93 Ų93108.6 Ų108.649%0.48755%0.553SS.*Hα-helixtrans-64.2-43.2175.9-72.8172.8000111.6S176 T177 M183 I184S176-L180 WeakPolarHBondContact O-CG 3.41Å; S176-L180 PolarHBondContact O-N 3.46Å; T177-L180 WeakPolarHBondContact O-CB 3.19Å; T177-L180 PolarHBondContact O-N 2.91Å; T177-L180 VanDerWaalsContact O-N 3.16Å; L180-M183 WeakPolarHBondContact O-CB 3.37Å; L180-M183 PolarHBondContact O-N 2.88Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.24Å
181E96.8Very high94.6Very high88 Ų88113.3 Ų113.341%0.41156%0.555SS.*Hα-helixtrans-62.9-43.7176.5-77.6-169.9-164.300112.4T177 E178 M183 I184 K185T177-E181 WeakPolarHBondContact O-CG 3.4Å; T177-E181 PolarHBondContact O-N 3.48Å; E178-E181 PolarHBondContact O-N 3.19Å; E181-M183 VanDerWaalsContact C-N 3.25Å; E181-M183 PolarHBondContact O-N 3.43Å; E181-I184 PolarHBondContact O-N 3.01Å; E181-K185 VanDerWaalsContact O-CB 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.19Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 3.02Å; E181-K185 IonicContact OE2-NZ 2.67Å; E181-K185 PolarHBondContact OE2-NZ 2.96Å
182A96.5Very high93.8Very high60 Ų60110.8 Ų110.850%0.49655%0.546SS..Hα-helixtrans-58.4-41.1175.400000111E178 K179 R186E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3Å; K179-A182 PolarHBondContact O-N 2.9Å; A182-R186 WeakPolarHBondContact O-CB 3.39Å; A182-R186 PolarHBondContact O-N 2.82Å
183M95.6Very high92.7Very high87 Ų87112 Ų11243%0.42955%0.546SS..Hα-helixtrans-64.5-43.6175.1-169-166.6-54.800112.2K179 L180 E181 R186 R187K179-M183 PolarHBondContact O-N 3.33Å; K179-M183 VanDerWaalsContact O-N 3.12Å; L180-M183 WeakPolarHBondContact O-CB 3.37Å; L180-M183 PolarHBondContact O-N 2.88Å; E181-M183 VanDerWaalsContact C-N 3.25Å; E181-M183 PolarHBondContact O-N 3.43Å; M183-R186 PolarHBondContact O-N 3.49Å; M183-R187 WeakPolarHBondContact O-CG 3.38Å; M183-R187 PolarHBondContact O-N 3.09Å
184I93.8Very high91.5Very high102 Ų102119.5 Ų119.552%0.52357%0.567SS.*Hα-helixtrans-66.5-47.2178.7-67.5164.8000110.3L180 E181 R186 R187 V188L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.24Å; E181-I184 PolarHBondContact O-N 3.01Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.38Å; I184-R187 PolarHBondContact O-N 3.35Å; I184-R187 VanDerWaalsContact O-N 3.12Å; I184-V188 HydrophobicContact CG2-CG2 4.24Å; I184-V188 WeakPolarHBondContact O-CB 3.34Å; I184-V188 WeakPolarHBondContact O-CG2 3.44Å; I184-V188 PolarHBondContact O-N 3.18Å
185K95.9Very high90.3Very high132 Ų132121.2 Ų121.257%0.57457%0.565SS**Hα-helixtrans-55.5-44.7175.6-72.8167.3-171.5162.30110.4E181 V188 K189E181-K185 VanDerWaalsContact O-CB 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.19Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 3.02Å; E181-K185 IonicContact OE2-NZ 2.67Å; E181-K185 PolarHBondContact OE2-NZ 2.96Å; K185-V188 PolarHBondContact O-N 3.31Å; K185-K189 VanDerWaalsContact O-CB 3.29Å; K185-K189 WeakPolarHBondContact O-CB 3.31Å; K185-K189 PolarHBondContact O-N 3.07Å
186R94Very high89Confident177 Ų177122.2 Ų122.267%0.66858%0.579SS**Hα-helixtrans-60.9-49.6173.6-177175.4177.8176.62.1112.3A182 M183 I184 V188 K189 D190A182-R186 WeakPolarHBondContact O-CB 3.39Å; A182-R186 PolarHBondContact O-N 2.82Å; M183-R186 PolarHBondContact O-N 3.49Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.38Å; R186-V188 VanDerWaalsContact C-N 3.33Å; R186-V188 PolarHBondContact O-N 2.99Å; R186-K189 WeakPolarHBondContact O-CB 3.47Å; R186-K189 PolarHBondContact O-N 2.92Å; R186-D190 WeakPolarHBondContact CG-OD2 3.39Å; R186-D190 IonicContact NE-OD2 3.55Å; R186-D190 WeakPolarHBondContact O-CB 3.28Å; R186-D190 PolarHBondContact O-N 3.29Å
187R92.6Very high87.1Confident108 Ų108127.4 Ų127.441%0.40860%0.595SS.*Hα-helixtrans-63.5-35.8179.3-74.2-175.8-178.7170.57.4113.5M183 I184 D190 R191 V192M183-R187 WeakPolarHBondContact O-CG 3.38Å; M183-R187 PolarHBondContact O-N 3.09Å; I184-R187 PolarHBondContact O-N 3.35Å; I184-R187 VanDerWaalsContact O-N 3.12Å; R187-D190 CarbonylContact O-C 3.57Å; R187-R191 PolarHBondContact O-N 2.88Å; R187-V192 PolarHBondContact O-N 3.39Å
188V91.3Very high85.4Confident105 Ų105128.8 Ų128.864%0.63661%0.606SS**Hα-helixtrans-69.2-43.5175.3172.70000110.3I184 K185 R186 D190 R191I184-V188 HydrophobicContact CG2-CG2 4.24Å; I184-V188 WeakPolarHBondContact O-CB 3.34Å; I184-V188 WeakPolarHBondContact O-CG2 3.44Å; I184-V188 PolarHBondContact O-N 3.18Å; K185-V188 PolarHBondContact O-N 3.31Å; R186-V188 VanDerWaalsContact C-N 3.33Å; R186-V188 PolarHBondContact O-N 2.99Å; V188-D190 VanDerWaalsContact C-N 3.31Å; V188-D190 PolarHBondContact O-N 2.69Å; V188-R191 PolarHBondContact O-N 3.13Å; V188-R191 VanDerWaalsContact O-N 3.16Å
189K93.2Very high83.7Confident176 Ų176127.8 Ų127.877%0.76561%0.608SS**Hα-helixtrans-58-44.4172.6-173.9179179.8-179.30111.3K185 R186 R191K185-K189 VanDerWaalsContact O-CB 3.29Å; K185-K189 WeakPolarHBondContact O-CB 3.31Å; K185-K189 PolarHBondContact O-N 3.07Å; R186-K189 WeakPolarHBondContact O-CB 3.47Å; R186-K189 PolarHBondContact O-N 2.92Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 PolarHBondContact O-N 3.22Å
190D91.8Very high81.7Confident87 Ų87127.2 Ų127.247%0.46561%0.612SS.*THydrogen-bonded Turntrans-79.6-5-179.8-60.8-16.1000113.1R186 R187 V188 V192R186-D190 WeakPolarHBondContact CG-OD2 3.39Å; R186-D190 IonicContact NE-OD2 3.55Å; R186-D190 WeakPolarHBondContact O-CB 3.28Å; R186-D190 PolarHBondContact O-N 3.29Å; R187-D190 CarbonylContact O-C 3.57Å; V188-D190 VanDerWaalsContact C-N 3.31Å; V188-D190 PolarHBondContact O-N 2.69Å; D190-V192 HydrophobicContact CB-CG2 3.95Å; D190-V192 PolarHBondContact O-N 3.38Å; D190-V192 VanDerWaalsContact O-N 3.15Å
191R79.9Confident79.5Confident219 Ų219129.5 Ų129.583%0.82663%0.625SS**THydrogen-bonded Turntrans54.824.6-176.9-56.9-177.4178-168.70.5115R187 V188 K189 K193R187-R191 PolarHBondContact O-N 2.88Å; V188-R191 PolarHBondContact O-N 3.13Å; V188-R191 VanDerWaalsContact O-N 3.16Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 PolarHBondContact O-N 3.22Å; R191-K193 PolarHBondContact O-N 3.2Å
192V77.3Confident77.6Confident94 Ų94132.4 Ų132.457%0.5764%0.643SS**  trans-83.697.2-179.6-177.30000109.7R187 D190R187-V192 PolarHBondContact O-N 3.39Å; D190-V192 HydrophobicContact CB-CG2 3.95Å; D190-V192 PolarHBondContact O-N 3.38Å; D190-V192 VanDerWaalsContact O-N 3.15Å
193K73.2Confident75.4Confident167 Ų167132.5 Ų132.573%0.72665%0.649SS**  trans-103.8128168.9-62.5-171.8-179.3-1710109.8R191 K195R191-K193 PolarHBondContact O-N 3.2Å; K193-K195 PolarHBondContact O-N 3.15Å
194R71.3Confident73.3Confident217 Ų217134.3 Ų134.382%0.81967%0.665SS**  trans-63.6127165.4-70.7-175.2173.7120.4-3.1107.8
195K70.6Confident71.4Confident133 Ų133139.7 Ų139.758%0.57868%0.68SS**  trans-128.3131.3176.6-66.1-172.5178.9-174.40108.3K193K193-K195 PolarHBondContact O-N 3.15Å
196V68.8Low69.4Low143 Ų143141.7 Ų141.787%0.86769%0.689SS**PPolyproline II helixtrans-71.7136.6167.9-177.70000107.7
197K57.3Low67.6Low159 Ų159138.1 Ų138.169%0.69169%0.691SS**PPolyproline II helixtrans-70.8128.7178.5-64.3176179.6178.30108.5T199K197-T199 PolarHBondContact O-N 3.06Å
198P61.9Low66Low83 Ų83141.3 Ų141.354%0.53971%0.71SS.*PPolyproline II helixtrans-68.5121.2157.928.2-29000107.5N200P198-N200 VanDerWaalsContact C-N 3.34Å; P198-N200 PolarHBondContact O-N 2.95Å
199T60.9Low64.4Low108 Ų108144.4 Ų144.466%0.66372%0.722SS**  trans-69.191.5174.3-55.20000108.3K197 D201K197-T199 PolarHBondContact O-N 3.06Å; T199-D201 VanDerWaalsContact CG2-CG 3.41Å; T199-D201 WeakPolarHBondContact CG2-OD1 3.36Å; T199-D201 VanDerWaalsContact CG2-OD2 3.23Å; T199-D201 WeakPolarHBondContact CG2-OD2 3.44Å
200N56.8Low63.3Low133 Ų133142 Ų14271%0.71172%0.722SS**  trans-94.690.1163.8-80.7-15.6000107.1P198 L202P198-N200 VanDerWaalsContact C-N 3.34Å; P198-N200 PolarHBondContact O-N 2.95Å; N200-L202 PolarHBondContact O-N 3.16Å
201D49.1Very low62.4Low142 Ų142145.1 Ų145.176%0.75974%0.738SS**  trans-73.979.2171.8-67.1-29.1000109.2T199T199-D201 VanDerWaalsContact CG2-CG 3.41Å; T199-D201 WeakPolarHBondContact CG2-OD1 3.36Å; T199-D201 VanDerWaalsContact CG2-OD2 3.23Å; T199-D201 WeakPolarHBondContact CG2-OD2 3.44Å
202L57Low62.3Low149 Ų149141 Ų14178%0.7873%0.732SS**  trans-105.991.6155-63.7178.4000105.4N200 V204N200-L202 PolarHBondContact O-N 3.16Å; L202-V204 PolarHBondContact O-N 3.38Å
203G51.5Low62.7Low61 Ų61145.7 Ų145.763%0.62975%0.748SS**  trans-59.181.6179.800000111.6Y205G203-Y205 WeakPolarHBondContact O-CD2 3.25Å; G203-Y205 PolarHBondContact O-N 3.46Å
204V51.5Low63.4Low126 Ų126145.3 Ų145.376%0.76475%0.749SS**  trans-72.286164.6-175.70000106.2L202 K206L202-V204 PolarHBondContact O-N 3.38Å; V204-K206 PolarHBondContact O-N 2.82Å
205Y53.5Low64.1Low214 Ų214144.8 Ų144.884%0.83975%0.753SS**  trans-60.1111166.2-69.4-82000107.4G203 S207G203-Y205 WeakPolarHBondContact O-CD2 3.25Å; G203-Y205 PolarHBondContact O-N 3.46Å; Y205-S207 PolarHBondContact O-N 2.99Å
206K54.2Low64.8Low175 Ų175142.6 Ų142.676%0.76175%0.754SS**  trans-69.7107.9165.3-67.6174.8-177.2171.90105.5V204 E208V204-K206 PolarHBondContact O-N 2.82Å; K206-E208 PolarHBondContact O-N 3.03Å; K206-E208 VanDerWaalsContact O-N 3.12Å
207S56.6Low65.8Low101 Ų101145.7 Ų145.771%0.70676%0.756SS**  trans-57.9117.5167.454.90000107.7Y205 L209Y205-S207 PolarHBondContact O-N 2.99Å; S207-L209 PolarHBondContact O-N 3.2Å; S207-L209 VanDerWaalsContact O-N 3.12Å
208E57.9Low67.4Low175 Ų175141.4 Ų141.482%0.81874%0.74SS**  trans-61.4116.2171.2-66.4-176.4171.900107.8K206 V210K206-E208 PolarHBondContact O-N 3.03Å; K206-E208 VanDerWaalsContact O-N 3.12Å; E208-V210 VanDerWaalsContact C-N 3.29Å; E208-V210 PolarHBondContact O-N 3.39Å
209L59Low68.8Low171 Ų171140.5 Ų140.590%0.89574%0.736SS**  trans-72.489.1172.8-75.7158.4000107.5S207 L211S207-L209 PolarHBondContact O-N 3.2Å; S207-L209 VanDerWaalsContact O-N 3.12Å; L209-L211 PolarHBondContact O-N 3.16Å
210V69Low70.2Confident124 Ų124141 Ų14175%0.75273%0.734SS**  trans-74.8113.6168.8-178.90000107.4E208 D212E208-V210 VanDerWaalsContact C-N 3.29Å; E208-V210 PolarHBondContact O-N 3.39Å; V210-D212 PolarHBondContact O-N 3.36Å
211L74.3Confident71.8Confident153 Ų153139 Ų13980%0.80173%0.73SS**  trans-80.6114.9177.1-175.869.6000109.3L209 Q213L209-L211 PolarHBondContact O-N 3.16Å; L211-Q213 PolarHBondContact O-N 3.08Å
212D77.7Confident73.9Confident132 Ų132136.1 Ų136.171%0.70671%0.712SS**  trans-64.8124.4171.9-102.2-24.8000110.5V210 Q214V210-D212 PolarHBondContact O-N 3.36Å; D212-Q214 VanDerWaalsContact C-N 3.31Å
213Q85.7Confident75.5Confident194 Ų194131.9 Ų131.991%0.90769%0.692SS**  trans-86.7-1.7179.3-61.9-175.217.600113.2L211L211-Q213 PolarHBondContact O-N 3.08Å
214Q86.8Confident77.4Confident158 Ų158135.9 Ų135.974%0.73869%0.689SS**SBendtrans-74.5147.3176.5-61.9-170.9-800110.5D212 S216D212-Q214 VanDerWaalsContact C-N 3.31Å; Q214-S216 PolarHBondContact O-N 3.44Å
215K86Confident79.3Confident207 Ų207135.7 Ų135.790%0.968%0.68SS**PPolyproline II helixtrans-60.8128.8175.5-66.1-179.9-179.1177.40109K217K215-K217 PolarHBondContact O-N 3.48Å
216S84.7Confident81.1Confident87 Ų87128.9 Ų128.961%0.60866%0.656SS**PPolyproline II helixtrans-54.9130.8176.5178.30000110.4Q214 L218Q214-S216 PolarHBondContact O-N 3.44Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact OG-N 2.95Å; S216-L218 VanDerWaalsContact OG-N 3.14Å; S216-L218 PolarHBondContact OG-O 3.16Å
217K90.3Very high82.6Confident207 Ų207124.4 Ų124.490%0.964%0.638SS**SBendtrans-74.1-22.7170.8-64.4-179.1-178177.50112.1K215K215-K217 PolarHBondContact O-N 3.48Å
218L90.1Very high84.1Confident69 Ų69127.1 Ų127.136%0.36163%0.634SS.*SBendtrans-96.2142.9-176.2-59.4173000110.9S216 E222 V223S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact OG-N 2.95Å; S216-L218 VanDerWaalsContact OG-N 3.14Å; S216-L218 PolarHBondContact OG-O 3.16Å; L218-E222 VanDerWaalsContact CA-OE2 3.27Å; L218-E222 WeakPolarHBondContact CA-OE2 3.4Å; L218-E222 HydrophobicContact CB-CB 4.34Å; L218-E222 WeakPolarHBondContact CB-OE2 3.25Å; L218-E222 WeakPolarHBondContact CD2-OE2 3.25Å; L218-V223 HydrophobicContact CB-CG2 4.03Å
219S91.6Very high85.5Confident64 Ų64122.2 Ų122.245%0.44861%0.613SS.*  trans-66.9154.4173.1179.50000111.2S221 E222 V223S219-S221 PolarHBondContact O-N 3.17Å; S219-E222 PolarHBondContact N-OE2 3.46Å; S219-E222 WeakPolarHBondContact O-CB 3.33Å; S219-E222 PolarHBondContact O-N 2.89Å; S219-V223 WeakPolarHBondContact O-CG2 3.37Å; S219-V223 PolarHBondContact O-N 2.98Å
220L91.1Very high86.6Confident120 Ų120121 Ų12163%0.62860%0.6SS**Hα-helixtrans-55.6-38.9176.6-177.661.9000111.7V223 Y224L220-V223 PolarHBondContact O-N 2.88Å; L220-Y224 HydrophobicContact CD1-CD2 4.04Å; L220-Y224 HydrophobicContact CD1-CE2 3.54Å; L220-Y224 HydrophobicContact CD2-CE2 4.17Å; L220-Y224 HydrophobicContact CG-CD2 3.94Å; L220-Y224 HydrophobicContact CG-CE2 3.63Å; L220-Y224 WeakPolarHBondContact O-CD2 3.35Å; L220-Y224 PolarHBondContact O-N 2.82Å; L220-Y224 VanDerWaalsContact O-N 3.11Å
221S91Very high87Confident90 Ų90122.2 Ų122.263%0.62960%0.595SS**Hα-helixtrans-62.8-42.5176.6-58.20000112.4S219 Y224 E225S219-S221 PolarHBondContact O-N 3.17Å; S221-Y224 PolarHBondContact O-N 3.07Å; S221-E225 PolarHBondContact O-N 2.93Å
222E92.9Very high87.1Confident82 Ų82124.1 Ų124.138%0.38359%0.592SS.*Hα-helixtrans-67.4-37.5178.2-67.5163.4-167.700111.5L218 S219 Y224 E225 Q226L218-E222 VanDerWaalsContact CA-OE2 3.27Å; L218-E222 WeakPolarHBondContact CA-OE2 3.4Å; L218-E222 HydrophobicContact CB-CB 4.34Å; L218-E222 WeakPolarHBondContact CB-OE2 3.25Å; L218-E222 WeakPolarHBondContact CD2-OE2 3.25Å; S219-E222 PolarHBondContact N-OE2 3.46Å; S219-E222 WeakPolarHBondContact O-CB 3.33Å; S219-E222 PolarHBondContact O-N 2.89Å; E222-Y224 VanDerWaalsContact C-N 3.35Å; E222-E225 PolarHBondContact O-N 3.08Å; E222-Q226 WeakPolarHBondContact O-CB 3.49Å; E222-Q226 VanDerWaalsContact O-CG 3.29Å; E222-Q226 WeakPolarHBondContact O-CG 3.3Å; E222-Q226 PolarHBondContact O-N 3.39Å
223V89.9Confident86.4Confident59 Ų59122.6 Ų122.636%0.35858%0.58SS.*Hα-helixtrans-62.1-44.31751740000110.5L218 S219 L220 Q226 E227L218-V223 HydrophobicContact CB-CG2 4.03Å; S219-V223 WeakPolarHBondContact O-CG2 3.37Å; S219-V223 PolarHBondContact O-N 2.98Å; L220-V223 PolarHBondContact O-N 2.88Å; V223-Q226 PolarHBondContact O-N 2.85Å; V223-E227 VanDerWaalsContact O-CB 3.31Å; V223-E227 WeakPolarHBondContact O-CB 3.35Å; V223-E227 PolarHBondContact O-N 2.96Å
224Y92.2Very high85.1Confident146 Ų146119.8 Ų119.857%0.57358%0.576SS**Hα-helixtrans-65.2-39.3176.1-81.1-62.1000112.7L220 S221 E222 E227 Y228L220-Y224 HydrophobicContact CD1-CD2 4.04Å; L220-Y224 HydrophobicContact CD1-CE2 3.54Å; L220-Y224 HydrophobicContact CD2-CE2 4.17Å; L220-Y224 HydrophobicContact CG-CD2 3.94Å; L220-Y224 HydrophobicContact CG-CE2 3.63Å; L220-Y224 WeakPolarHBondContact O-CD2 3.35Å; L220-Y224 PolarHBondContact O-N 2.82Å; L220-Y224 VanDerWaalsContact O-N 3.11Å; S221-Y224 PolarHBondContact O-N 3.07Å; E222-Y224 VanDerWaalsContact C-N 3.35Å; Y224-E227 PolarHBondContact O-N 2.91Å; Y224-Y228 VanDerWaalsContact O-CB 3.3Å; Y224-Y228 WeakPolarHBondContact O-CB 3.43Å; Y224-Y228 PolarHBondContact O-N 3.41Å
225E90.9Very high83.7Confident121 Ų121116.6 Ų116.657%0.56557%0.571SS**Hα-helixtrans-62.2-49.9174.6-177.5-179.5-179.300111.2S221 E222 E227 Y228 L229S221-E225 PolarHBondContact O-N 2.93Å; E222-E225 PolarHBondContact O-N 3.08Å; E225-E227 VanDerWaalsContact C-N 3.34Å; E225-E227 PolarHBondContact O-N 3.12Å; E225-Y228 WeakPolarHBondContact O-CB 3.41Å; E225-Y228 PolarHBondContact O-N 3.45Å; E225-Y228 VanDerWaalsContact O-N 3.16Å; E225-L229 HydrophobicContact CG-CD1 4.3Å; E225-L229 WeakPolarHBondContact O-CG 3.4Å; E225-L229 PolarHBondContact O-N 3.47Å
226Q90.2Very high82.3Confident71 Ų71113.3 Ų113.333%0.33256%0.563SS.*Hα-helixtrans-63.3-39177.4-72.8-179.811.600112.2E222 V223 Y228 L229 K230E222-Q226 WeakPolarHBondContact O-CB 3.49Å; E222-Q226 VanDerWaalsContact O-CG 3.29Å; E222-Q226 WeakPolarHBondContact O-CG 3.3Å; E222-Q226 PolarHBondContact O-N 3.39Å; V223-Q226 PolarHBondContact O-N 2.85Å; Q226-Y228 VanDerWaalsContact C-N 3.32Å; Q226-L229 PolarHBondContact O-N 3.37Å; Q226-K230 VanDerWaalsContact O-CB 3.24Å; Q226-K230 WeakPolarHBondContact O-CB 3.41Å; Q226-K230 WeakPolarHBondContact O-CG 3.49Å; Q226-K230 PolarHBondContact O-N 3.22Å
227E87.2Confident81.2Confident82 Ų82114.1 Ų114.138%0.38356%0.557SS.*Hα-helixtrans-65.5-38.3175.2-165.5-169.7162.700111V223 Y224 E225 K231V223-E227 VanDerWaalsContact O-CB 3.31Å; V223-E227 WeakPolarHBondContact O-CB 3.35Å; V223-E227 PolarHBondContact O-N 2.96Å; Y224-E227 PolarHBondContact O-N 2.91Å; E225-E227 VanDerWaalsContact C-N 3.34Å; E225-E227 PolarHBondContact O-N 3.12Å; E227-K231 HydrophobicContact CG-CD 4.43Å; E227-K231 WeakPolarHBondContact O-CB 3.48Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.28Å; E227-K231 PolarHBondContact O-N 2.96Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 2.65Å; E227-K231 PolarHBondContact OE1-NZ 3.47Å
228Y86.5Confident80.4Confident158 Ų158107.7 Ų107.762%0.6254%0.537SS*.Hα-helixtrans-64.6-44.8174.9-176.9-95.9000111.7Y224 E225 Q226 K231 R232Y224-Y228 VanDerWaalsContact O-CB 3.3Å; Y224-Y228 WeakPolarHBondContact O-CB 3.43Å; Y224-Y228 PolarHBondContact O-N 3.41Å; E225-Y228 WeakPolarHBondContact O-CB 3.41Å; E225-Y228 PolarHBondContact O-N 3.45Å; E225-Y228 VanDerWaalsContact O-N 3.16Å; Q226-Y228 VanDerWaalsContact C-N 3.32Å; Y228-K231 PolarHBondContact O-N 2.91Å; Y228-R232 PolarHBondContact O-N 3.45Å; Y228-R232 VanDerWaalsContact O-N 3.14Å
229L87.4Confident80.1Confident72 Ų72108.7 Ų108.738%0.37755%0.548SS..Hα-helixtrans-64.5-46.6175.1-67.8174.7000111.7E225 Q226 K231 R232 E233E225-L229 HydrophobicContact CG-CD1 4.3Å; E225-L229 WeakPolarHBondContact O-CG 3.4Å; E225-L229 PolarHBondContact O-N 3.47Å; Q226-L229 PolarHBondContact O-N 3.37Å; L229-K231 VanDerWaalsContact C-N 3.27Å; L229-K231 PolarHBondContact O-N 3.16Å; L229-R232 CarbonylContact O-C 3.56Å; L229-R232 WeakPolarHBondContact O-CA 3.38Å; L229-R232 WeakPolarHBondContact O-CB 3.35Å; L229-R232 PolarHBondContact O-N 3.04Å; L229-E233 PolarHBondContact O-N 3.09Å
230K82.9Confident80Confident145 Ų145108 Ų10863%0.6355%0.546SS*.Hα-helixtrans-63.8-28.1175.8-74.2171.8-178.6172.70113.5Q226 R232Q226-K230 VanDerWaalsContact O-CB 3.24Å; Q226-K230 WeakPolarHBondContact O-CB 3.41Å; Q226-K230 WeakPolarHBondContact O-CG 3.49Å; Q226-K230 PolarHBondContact O-N 3.22Å; K230-R232 VanDerWaalsContact C-N 3.33Å
231K77.5Confident79.8Confident150 Ų150107.2 Ų107.265%0.65254%0.539SS*.Hα-helixtrans-73.1-29.5171.6-81.4172-176.2164.40111.9E227 Y228 L229E227-K231 HydrophobicContact CG-CD 4.43Å; E227-K231 WeakPolarHBondContact O-CB 3.48Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.28Å; E227-K231 PolarHBondContact O-N 2.96Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 2.65Å; E227-K231 PolarHBondContact OE1-NZ 3.47Å; Y228-K231 PolarHBondContact O-N 2.91Å; L229-K231 VanDerWaalsContact C-N 3.27Å; L229-K231 PolarHBondContact O-N 3.16Å
232R75.7Confident79.8Confident192 Ų192107.1 Ų107.173%0.72553%0.528SS*.Hα-helixtrans-83-39.4179.1-171.3178.1172.8-176.6-3.5111.9Y228 L229 K230 V234Y228-R232 PolarHBondContact O-N 3.45Å; Y228-R232 VanDerWaalsContact O-N 3.14Å; L229-R232 CarbonylContact O-C 3.56Å; L229-R232 WeakPolarHBondContact O-CA 3.38Å; L229-R232 WeakPolarHBondContact O-CB 3.35Å; L229-R232 PolarHBondContact O-N 3.04Å; K230-R232 VanDerWaalsContact C-N 3.33Å; R232-V234 PolarHBondContact O-N 3.35Å
233E63.9Low79.8Confident101 Ų101108.7 Ų108.747%0.47254%0.536SS..SBendtrans-85.4108.3175.3-67.2-179.9173.300109.1L229 S235 L236L229-E233 PolarHBondContact O-N 3.09Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 3.33Å; E233-L236 VanDerWaalsContact OE2-CD1 3.3Å; E233-L236 WeakPolarHBondContact OE2-CD1 3.36Å
234V58.3Low80.1Confident135 Ų135110.9 Ų110.982%0.81854%0.544SS*.  trans-58.195.8179.3-178.50000109.3R232 L236R232-V234 PolarHBondContact O-N 3.35Å; V234-L236 PolarHBondContact O-N 3.23Å
235S56.6Low80.1Confident91 Ų91108.3 Ų108.364%0.63653%0.534SS*.  trans35.875.916861.10000113.6E233 Q237E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 3.33Å; S235-Q237 PolarHBondContact O-N 3.49Å
236L56.6Low80.3Confident137 Ų137108.2 Ų108.272%0.71753%0.533SS*.  trans-52.6108.2163.6-69.1172.8000107E233 V234 C238E233-L236 VanDerWaalsContact OE2-CD1 3.3Å; E233-L236 WeakPolarHBondContact OE2-CD1 3.36Å; V234-L236 PolarHBondContact O-N 3.23Å; L236-C238 PolarHBondContact O-N 2.86Å
237Q63.1Low80.6Confident105 Ų105110.5 Ų110.549%0.49155%0.547SS..  trans-55.9133.7177.2-64.1175.3-8.900106.2S235 E242S235-Q237 PolarHBondContact O-N 3.49Å; Q237-E242 HydrophobicContact CB-CG 4.25Å
238C73.1Confident81Confident71 Ų71110.4 Ų110.448%0.4855%0.549SS..  trans-57132.8-179.8-40.30000107.5L236 A240 H241 E242L236-C238 PolarHBondContact O-N 2.86Å; C238-A240 PolarHBondContact O-N 3.12Å; C238-H241 WeakPolarHBondContact CB-ND1 3.41Å; C238-H241 WeakPolarHBondContact O-CA 3.35Å; C238-H241 WeakPolarHBondContact O-CB 3.46Å; C238-H241 PolarHBondContact O-N 3.36Å; C238-E242 PolarHBondContact O-N 2.9Å
239P84.3Confident81.4Confident91 Ų91110 Ų11059%0.59155%0.55SS**Hα-helixtrans-55-34-175.119.4-32000111.7H241 E242 E243P239-H241 VanDerWaalsContact C-N 3.29Å; P239-H241 PolarHBondContact O-N 3.34Å; P239-E242 WeakPolarHBondContact O-CA 3.38Å; P239-E242 WeakPolarHBondContact O-CB 3.44Å; P239-E242 PolarHBondContact O-N 3.06Å; P239-E243 WeakPolarHBondContact O-CG 3.5Å; P239-E243 PolarHBondContact O-N 2.92Å
240A87.6Confident81.9Confident49 Ų49110.9 Ų110.941%0.40556%0.556SS.*Hα-helixtrans-55.3-38171.400000113.9C238 I244C238-A240 PolarHBondContact O-N 3.12Å; A240-I244 WeakPolarHBondContact O-CB 3.49Å; A240-I244 WeakPolarHBondContact O-CD1 3.39Å; A240-I244 WeakPolarHBondContact O-CG1 3.33Å; A240-I244 PolarHBondContact O-N 2.77Å
241H88.7Confident82.5Confident103 Ų103108.3 Ų108.348%0.47755%0.548SS..Hα-helixtrans-70.5-31.7175.7-7290.9000112.2C238 P239 R245C238-H241 WeakPolarHBondContact CB-ND1 3.41Å; C238-H241 WeakPolarHBondContact O-CA 3.35Å; C238-H241 WeakPolarHBondContact O-CB 3.46Å; C238-H241 PolarHBondContact O-N 3.36Å; P239-H241 VanDerWaalsContact C-N 3.29Å; P239-H241 PolarHBondContact O-N 3.34Å; H241-R245 WeakPolarHBondContact O-CB 3.34Å; H241-R245 VanDerWaalsContact O-CG 3.28Å; H241-R245 WeakPolarHBondContact O-CG 3.4Å; H241-R245 VanDerWaalsContact O-CZ 3.32Å; H241-R245 PolarHBondContact O-N 3.08Å
242E90.4Very high83.4Confident88 Ų88104.9 Ų104.941%0.41153%0.533SS..Hα-helixtrans-70-44.5174.5-68.3-179.5-179.700110.7Q237 C238 P239 R245 Q246Q237-E242 HydrophobicContact CB-CG 4.25Å; C238-E242 PolarHBondContact O-N 2.9Å; P239-E242 WeakPolarHBondContact O-CA 3.38Å; P239-E242 WeakPolarHBondContact O-CB 3.44Å; P239-E242 PolarHBondContact O-N 3.06Å; E242-R245 WeakPolarHBondContact O-CB 3.32Å; E242-R245 PolarHBondContact O-N 3.19Å; E242-Q246 WeakPolarHBondContact O-CG 3.37Å; E242-Q246 PolarHBondContact O-N 3.37Å
243E93.9Very high84.3Confident116 Ų116102.4 Ų102.454%0.54253%0.528SS..Hα-helixtrans-58.3-48.7173.1-69.5170.9-164.200111.3P239 R245 Q246 L247P239-E243 WeakPolarHBondContact O-CG 3.5Å; P239-E243 PolarHBondContact O-N 2.92Å; E243-R245 VanDerWaalsContact C-N 3.31Å; E243-R245 PolarHBondContact O-N 3.23Å; E243-Q246 PolarHBondContact O-N 3.37Å; E243-Q246 VanDerWaalsContact O-N 3.15Å; E243-L247 WeakPolarHBondContact O-CG 3.48Å; E243-L247 PolarHBondContact O-N 3.19Å
244I94.7Very high85.8Confident104 Ų104104 Ų10453%0.53353%0.534SS..Hα-helixtrans-59.6-43.5175.5-69.1162.4000110.4A240 Q246 L247 L248A240-I244 WeakPolarHBondContact O-CB 3.49Å; A240-I244 WeakPolarHBondContact O-CD1 3.39Å; A240-I244 WeakPolarHBondContact O-CG1 3.33Å; A240-I244 PolarHBondContact O-N 2.77Å; I244-Q246 VanDerWaalsContact C-N 3.32Å; I244-Q246 PolarHBondContact O-N 3.5Å; I244-L247 PolarHBondContact O-N 3.45Å; I244-L248 WeakPolarHBondContact O-CB 3.43Å; I244-L248 PolarHBondContact O-N 3.33Å
245R93.4Very high87.6Confident92 Ų92101.1 Ų101.135%0.34751%0.513SS..Hα-helixtrans-62-38.7177-83.2-172.1-69-82.3-5112.1H241 E242 E243 K249H241-R245 WeakPolarHBondContact O-CB 3.34Å; H241-R245 VanDerWaalsContact O-CG 3.28Å; H241-R245 WeakPolarHBondContact O-CG 3.4Å; H241-R245 VanDerWaalsContact O-CZ 3.32Å; H241-R245 PolarHBondContact O-N 3.08Å; E242-R245 WeakPolarHBondContact O-CB 3.32Å; E242-R245 PolarHBondContact O-N 3.19Å; E243-R245 VanDerWaalsContact C-N 3.31Å; E243-R245 PolarHBondContact O-N 3.23Å; R245-K249 VanDerWaalsContact O-CG 3.25Å; R245-K249 WeakPolarHBondContact O-CG 3.29Å; R245-K249 PolarHBondContact O-N 3.29Å; R245-K249 VanDerWaalsContact O-N 3.09Å
246Q94.4Very high89.5Confident120 Ų12097.5 Ų97.556%0.56149%0.487SS*.Hα-helixtrans-67.8-51.7176.9-71.5174.37.500111E242 E243 I244 L248 K249 D250E242-Q246 WeakPolarHBondContact O-CG 3.37Å; E242-Q246 PolarHBondContact O-N 3.37Å; E243-Q246 PolarHBondContact O-N 3.37Å; E243-Q246 VanDerWaalsContact O-N 3.15Å; I244-Q246 VanDerWaalsContact C-N 3.32Å; I244-Q246 PolarHBondContact O-N 3.5Å; Q246-L248 VanDerWaalsContact C-N 3.26Å; Q246-L248 PolarHBondContact O-N 2.76Å; Q246-K249 WeakPolarHBondContact O-CB 3.35Å; Q246-K249 PolarHBondContact O-N 3.46Å; Q246-K249 VanDerWaalsContact O-N 3.08Å; Q246-D250 PolarHBondContact O-N 3.04Å
247L96.5Very high91.4Very high118 Ų11893.3 Ų93.362%0.61847%0.472SS*.Hα-helixtrans-58.6-38.5177-69.5174.4000112.3E243 I244 D250 L251E243-L247 WeakPolarHBondContact O-CG 3.48Å; E243-L247 PolarHBondContact O-N 3.19Å; I244-L247 PolarHBondContact O-N 3.45Å; L247-D250 PolarHBondContact O-N 3.47Å; L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.48Å; L247-L251 PolarHBondContact O-N 3.32Å
248L95.8Very high92.9Very high81 Ų8195.3 Ų95.342%0.42449%0.485SS..Hα-helixtrans-65.5-41.3176.8-17178.6000111.5I244 Q246 L251 F252I244-L248 WeakPolarHBondContact O-CB 3.43Å; I244-L248 PolarHBondContact O-N 3.33Å; Q246-L248 VanDerWaalsContact C-N 3.26Å; Q246-L248 PolarHBondContact O-N 2.76Å; L248-L251 PolarHBondContact O-N 2.85Å; L248-F252 HydrophobicContact CD1-CD2 4.08Å; L248-F252 HydrophobicContact CD1-CE2 3.46Å; L248-F252 VanDerWaalsContact CD1-CE2 3.46Å; L248-F252 HydrophobicContact CD1-CZ 4.02Å; L248-F252 HydrophobicContact CD2-CD2 4.34Å; L248-F252 HydrophobicContact CD2-CE2 3.84Å; L248-F252 HydrophobicContact CG-CD2 3.69Å; L248-F252 HydrophobicContact CG-CE2 3.42Å; L248-F252 VanDerWaalsContact CG-CE2 3.42Å; L248-F252 HydrophobicContact CG-CZ 4.44Å; L248-F252 WeakPolarHBondContact O-CB 3.36Å; L248-F252 WeakPolarHBondContact O-CD2 3.1Å; L248-F252 PolarHBondContact O-N 3.14Å
249K94.8Very high94Very high148 Ų14895 Ų9564%0.64348%0.481SS*.Hα-helixtrans-61.9-45.4174.1-75.3172.4-177.5-174.40110.9R245 Q246 F252 F253R245-K249 VanDerWaalsContact O-CG 3.25Å; R245-K249 WeakPolarHBondContact O-CG 3.29Å; R245-K249 PolarHBondContact O-N 3.29Å; R245-K249 VanDerWaalsContact O-N 3.09Å; Q246-K249 WeakPolarHBondContact O-CB 3.35Å; Q246-K249 PolarHBondContact O-N 3.46Å; Q246-K249 VanDerWaalsContact O-N 3.08Å; K249-F252 PolarHBondContact O-N 3.02Å; K249-F253 WeakPolarHBondContact O-CB 3.4Å; K249-F253 PolarHBondContact O-N 3.16Å
250D97Very high94.4Very high92 Ų9296.2 Ų96.249%0.49248%0.483SS..Hα-helixtrans-65.6-40.4178.9-69.3-5.7000112.2Q246 L247 K254Q246-D250 PolarHBondContact O-N 3.04Å; L247-D250 PolarHBondContact O-N 3.47Å; D250-K254 WeakPolarHBondContact O-CG 3.29Å; D250-K254 PolarHBondContact O-N 3.48Å; D250-K254 VanDerWaalsContact O-N 3.16Å
251L96.8Very high94.7Very high90 Ų9099.5 Ų99.547%0.47149%0.488SS..Hα-helixtrans-64.1-50.5176.4177.763.5000111L247 L248 F253 K254 L255L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.48Å; L247-L251 PolarHBondContact O-N 3.32Å; L248-L251 PolarHBondContact O-N 2.85Å; L251-F253 VanDerWaalsContact C-N 3.32Å; L251-F253 PolarHBondContact O-N 3.32Å; L251-K254 PolarHBondContact O-N 3.38Å; L251-K254 VanDerWaalsContact O-N 3.16Å; L251-L255 HydrophobicContact CD1-CD1 4.23Å; L251-L255 HydrophobicContact CD1-CG 4.3Å; L251-L255 HydrophobicContact CG-CD1 4.04Å; L251-L255 HydrophobicContact CG-CG 4.47Å; L251-L255 WeakPolarHBondContact O-CG 3.22Å; L251-L255 PolarHBondContact O-N 3.39Å
252F95.2Very high95Very high78 Ų78102 Ų10234%0.34250%0.499SS..Hα-helixtrans-64.3-38.2178.9-76.7-50.3000111.7L248 K249 K254 L255 D256L248-F252 HydrophobicContact CD1-CD2 4.08Å; L248-F252 HydrophobicContact CD1-CE2 3.46Å; L248-F252 VanDerWaalsContact CD1-CE2 3.46Å; L248-F252 HydrophobicContact CD1-CZ 4.02Å; L248-F252 HydrophobicContact CD2-CD2 4.34Å; L248-F252 HydrophobicContact CD2-CE2 3.84Å; L248-F252 HydrophobicContact CG-CD2 3.69Å; L248-F252 HydrophobicContact CG-CE2 3.42Å; L248-F252 VanDerWaalsContact CG-CE2 3.42Å; L248-F252 HydrophobicContact CG-CZ 4.44Å; L248-F252 WeakPolarHBondContact O-CB 3.36Å; L248-F252 WeakPolarHBondContact O-CD2 3.1Å; L248-F252 PolarHBondContact O-N 3.14Å; K249-F252 PolarHBondContact O-N 3.02Å; F252-K254 VanDerWaalsContact C-N 3.26Å; F252-K254 PolarHBondContact O-N 2.82Å; F252-L255 HydrophobicContact CD1-CD1 4.26Å; F252-L255 PolarHBondContact O-N 3.11Å; F252-D256 WeakPolarHBondContact O-CB 3.46Å; F252-D256 PolarHBondContact O-N 2.71Å
253F94.5Very high95.1Very high141 Ų141102.4 Ų102.462%0.61850%0.498SS*.Hα-helixtrans-57.8-40.6174-175-100.2000112.3K249 L251 A257K249-F253 WeakPolarHBondContact O-CB 3.4Å; K249-F253 PolarHBondContact O-N 3.16Å; L251-F253 VanDerWaalsContact C-N 3.32Å; L251-F253 PolarHBondContact O-N 3.32Å; F253-A257 WeakPolarHBondContact O-CB 3.3Å; F253-A257 PolarHBondContact O-N 3.12Å; F253-A257 VanDerWaalsContact O-N 3.08Å
254K96.7Very high95Very high135 Ų135103 Ų10359%0.58751%0.51SS*.Hα-helixtrans-68.5-43.5175.4-68.6168.7-173173.40112.5D250 L251 F252 A257 L258D250-K254 WeakPolarHBondContact O-CG 3.29Å; D250-K254 PolarHBondContact O-N 3.48Å; D250-K254 VanDerWaalsContact O-N 3.16Å; L251-K254 PolarHBondContact O-N 3.38Å; L251-K254 VanDerWaalsContact O-N 3.16Å; F252-K254 VanDerWaalsContact C-N 3.26Å; F252-K254 PolarHBondContact O-N 2.82Å; K254-A257 PolarHBondContact O-N 3.38Å; K254-L258 WeakPolarHBondContact O-CB 3.27Å; K254-L258 VanDerWaalsContact O-CG 3.29Å; K254-L258 WeakPolarHBondContact O-CG 3.42Å; K254-L258 PolarHBondContact O-N 2.81Å
255L96.4Very high94.8Very high74 Ų74103.3 Ų103.339%0.38752%0.519SS..Hα-helixtrans-66.4-42.7178.4-69.8175.3000111.9L251 F252 A257 L258 T259L251-L255 HydrophobicContact CD1-CD1 4.23Å; L251-L255 HydrophobicContact CD1-CG 4.3Å; L251-L255 HydrophobicContact CG-CD1 4.04Å; L251-L255 HydrophobicContact CG-CG 4.47Å; L251-L255 WeakPolarHBondContact O-CG 3.22Å; L251-L255 PolarHBondContact O-N 3.39Å; F252-L255 HydrophobicContact CD1-CD1 4.26Å; F252-L255 PolarHBondContact O-N 3.11Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 2.9Å; L255-L258 PolarHBondContact O-N 3.5Å; L255-T259 WeakPolarHBondContact O-CB 3.43Å; L255-T259 VanDerWaalsContact O-CG2 3.31Å; L255-T259 WeakPolarHBondContact O-CG2 3.3Å; L255-T259 PolarHBondContact O-N 2.9Å; L255-T259 PolarHBondContact O-OG1 2.81Å
256D96Very high94.5Very high15 Ų15107 Ų1078%0.0853%0.533CS..Hα-helixtrans-60.5-42176-65.3-8.6000109.5F252 T259 N260 F261 Y263 R266F252-D256 WeakPolarHBondContact O-CB 3.46Å; F252-D256 PolarHBondContact O-N 2.71Å; D256-T259 WeakPolarHBondContact CA-OG1 3.45Å; D256-T259 PolarHBondContact O-N 3.5Å; D256-T259 PolarHBondContact O-OG1 3.37Å; D256-T259 VanDerWaalsContact O-OG1 3.05Å; D256-N260 PolarHBondContact O-N 3.32Å; D256-F261 HydrophobicContact CB-CD1 4.22Å; D256-F261 HydrophobicContact CB-CE1 4.27Å; D256-F261 WeakPolarHBondContact O-CA 3.34Å; D256-F261 PolarHBondContact O-N 2.98Å; D256-Y263 HydrophobicContact CB-CD1 3.97Å; D256-Y263 HydrophobicContact CB-CE1 3.68Å; D256-R266 IonicContact OD2-NH1 3.92Å
257A96Very high94.2Very high49 Ų49106.3 Ų106.341%0.40554%0.538SS..Hα-helixtrans-67.5-41.8174.800000113.5F253 K254 L255 T259 N260 F261F253-A257 WeakPolarHBondContact O-CB 3.3Å; F253-A257 PolarHBondContact O-N 3.12Å; F253-A257 VanDerWaalsContact O-N 3.08Å; K254-A257 PolarHBondContact O-N 3.38Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 2.9Å; A257-T259 VanDerWaalsContact C-N 3.27Å; A257-T259 PolarHBondContact O-N 3.34Å; A257-N260 PolarHBondContact O-N 3.48Å; A257-F261 HydrophobicContact CB-CZ 4.47Å
258L95.3Very high93.7Very high146 Ų146107 Ų10776%0.76455%0.55SS*.Hα-helixtrans-64.6-31.8177.2-76.2170.7000112.7K254 L255 N260K254-L258 WeakPolarHBondContact O-CB 3.27Å; K254-L258 VanDerWaalsContact O-CG 3.29Å; K254-L258 WeakPolarHBondContact O-CG 3.42Å; K254-L258 PolarHBondContact O-N 2.81Å; L255-L258 PolarHBondContact O-N 3.5Å; L258-N260 VanDerWaalsContact C-N 3.26Å; L258-N260 PolarHBondContact O-N 2.98Å
259T95Very high93.2Very high66 Ų66108.3 Ų108.341%0.40556%0.561SS.*THydrogen-bonded Turntrans-86.89.117856.50000113.1L255 D256 A257 F261 H262L255-T259 WeakPolarHBondContact O-CB 3.43Å; L255-T259 VanDerWaalsContact O-CG2 3.31Å; L255-T259 WeakPolarHBondContact O-CG2 3.3Å; L255-T259 PolarHBondContact O-N 2.9Å; L255-T259 PolarHBondContact O-OG1 2.81Å; D256-T259 WeakPolarHBondContact CA-OG1 3.45Å; D256-T259 PolarHBondContact O-N 3.5Å; D256-T259 PolarHBondContact O-OG1 3.37Å; D256-T259 VanDerWaalsContact O-OG1 3.05Å; A257-T259 VanDerWaalsContact C-N 3.27Å; A257-T259 PolarHBondContact O-N 3.34Å; T259-F261 PolarHBondContact O-N 3.28Å; T259-H262 PolarHBondContact O-N 2.84Å; T259-H262 VanDerWaalsContact O-N 3.16Å
260N94.1Very high92.7Very high116 Ų116107.1 Ų107.162%0.6257%0.568SS**THydrogen-bonded Turntrans53.536.2-175.6-167.945.8000112.7D256 A257 L258 H262D256-N260 PolarHBondContact O-N 3.32Å; A257-N260 PolarHBondContact O-N 3.48Å; L258-N260 VanDerWaalsContact C-N 3.26Å; L258-N260 PolarHBondContact O-N 2.98Å; N260-H262 VanDerWaalsContact C-N 3.26Å; N260-H262 PolarHBondContact O-N 3.28Å
261F92.8Very high92Very high117 Ų117111.5 Ų111.551%0.51359%0.586SS.*THydrogen-bonded Turntrans60.824.2-178.7-59-91.3000115.4D256 A257 T259 Y263D256-F261 HydrophobicContact CB-CD1 4.22Å; D256-F261 HydrophobicContact CB-CE1 4.27Å; D256-F261 WeakPolarHBondContact O-CA 3.34Å; D256-F261 PolarHBondContact O-N 2.98Å; A257-F261 HydrophobicContact CB-CZ 4.47Å; T259-F261 PolarHBondContact O-N 3.28Å; F261-Y263 HydrophobicContact CB-CE1 4.12Å; F261-Y263 AromaticContact CD1-CE1 3.98Å; F261-Y263 HydrophobicContact CD1-CE1 3.98Å; F261-Y263 PolarHBondContact O-N 3.21Å
262H96.1Very high91.4Very high155 Ų155116.1 Ų116.172%0.71860%0.602SS**  trans-93.573.3172.9-62.9-57.7000112T259 N260T259-H262 PolarHBondContact O-N 2.84Å; T259-H262 VanDerWaalsContact O-N 3.16Å; N260-H262 VanDerWaalsContact C-N 3.26Å; N260-H262 PolarHBondContact O-N 3.28Å
263Y91.5Very high90.9Very high97 Ų97116.7 Ų116.738%0.3862%0.622SS.*SBendtrans-134.3165.4-179.762.9-84.2000112.4D256 F261D256-Y263 HydrophobicContact CB-CD1 3.97Å; D256-Y263 HydrophobicContact CB-CE1 3.68Å; F261-Y263 HydrophobicContact CB-CE1 4.12Å; F261-Y263 AromaticContact CD1-CE1 3.98Å; F261-Y263 HydrophobicContact CD1-CE1 3.98Å; F261-Y263 PolarHBondContact O-N 3.21Å
264T91.7Very high90.5Very high130 Ų130116.4 Ų116.480%0.79863%0.631SS**PPolyproline II helixtrans-77.7122.4173.652.70000110.1
265P90Very high89.9Confident110 Ų110114.1 Ų114.171%0.71463%0.628SS**PPolyproline II helixtrans-61.5150.9-177.326.6-34.8000111.5
266R88Confident89.5Confident170 Ų170114.1 Ų114.164%0.64263%0.634SS**PPolyproline II helixtrans-60.7144.4179-69.5-176.2-77.2-88.82.5110.7D256D256-R266 IonicContact OD2-NH1 3.92Å
267P88Confident89.2Confident105 Ų105117.7 Ų117.768%0.68265%0.653SS**PPolyproline II helixtrans-60.9143.5176.426.4-34.4000110.3V269P267-V269 PolarHBondContact O-N 2.87Å
268P86.1Confident88.9Confident132 Ų132118.7 Ų118.786%0.85765%0.651SS**  trans-66.9108.6-176.627-33.8000110
269V84.8Confident88.7Confident108 Ų108115 Ų11566%0.65564%0.635SS**  trans-83.6131.4170.1-1800000107.4P267 E271P267-V269 PolarHBondContact O-N 2.87Å; V269-E271 PolarHBondContact O-N 3.39Å
270P85Confident88.4Confident124 Ų124113.1 Ų113.181%0.80563%0.625SS**  trans-66.3103.4177.726.6-33.6000110.1
271E83.2Confident88.2Confident183 Ų183111.4 Ų111.486%0.85562%0.615SS**PPolyproline II helixtrans-88.2135.2172.4-65179.6-179.400109.4V269V269-E271 PolarHBondContact O-N 3.39Å
272F83.8Confident88.1Confident187 Ų187109.8 Ų109.882%0.8262%0.615SS**PPolyproline II helixtrans-103.5118.5173.465.9-86.6000108.8V274F272-V274 HydrophobicContact CD2-CG2 4.23Å
273A84.6Confident87.7Confident91 Ų91109.3 Ų109.375%0.75261%0.614SS**PPolyproline II helixtrans-99.6123.9171.200000108.9
274V85.5Confident87.6Confident135 Ų135107.5 Ų107.582%0.81861%0.609SS**  trans-89.4107.9173.9-178.20000108F272F272-V274 HydrophobicContact CD2-CG2 4.23Å
275V84.1Confident87.6Confident87 Ų87110 Ų11053%0.52761%0.612SS.*  trans-96.7124.9178.1-177.40000109.4L297V275-L297 HydrophobicContact CG1-CD2 4.4Å
276S87.8Confident87.6Confident73 Ų73112.5 Ų112.551%0.5163%0.625SS.*  trans-83152.4173.245.40000111.8M278 T296S276-M278 PolarHBondContact O-N 3.16Å; S276-T296 PolarHBondContact O-OG1 3.34Å
277N90Very high87.7Confident90 Ų90107.3 Ų107.348%0.48162%0.618SS.*  trans-72.494.4174.5-16814.9000110.6L297N277-L297 HydrophobicContact CB-CD1 3.66Å; N277-L297 HydrophobicContact CB-CG 4.07Å
278M89.7Confident87.8Confident71 Ų71109 Ų10935%0.3563%0.629SS.*  trans-127156.4179.4-58.7-169.983.900109.5S276 V282 T296S276-M278 PolarHBondContact O-N 3.16Å; M278-V282 HydrophobicContact CE-CB 4.37Å; M278-V282 HydrophobicContact CE-CG1 3.73Å; M278-V282 HydrophobicContact CE-CG2 4.32Å; M278-V282 HydrophobicContact SD-CG1 4.27Å; M278-T296 PolarHBondContact N-OG1 3.19Å; M278-T296 WeakPolarHBondContact O-CG2 3.43Å; M278-T296 PolarHBondContact O-N 3Å; M278-T296 PolarHBondContact O-OG1 3.01Å
279P91.2Very high88Confident68 Ų68108 Ų10844%0.44262%0.62SS.*BIsolated β-bridgetrans-60.6140.9166.8-19.332.1000110.2I281 V282P279-I281 PolarHBondContact O-N 3.35Å; P279-I281 VanDerWaalsContact O-N 3.12Å; P279-V282 PolarHBondContact O-N 3.38Å
280S89.4Confident88.1Confident27 Ų27106.6 Ų106.619%0.18961%0.612CS.*G310 helixtrans-55.2-31.5179.3-68.60000112.8V282 M283 E284 A294S280-V282 PolarHBondContact O-N 3.07Å; S280-V282 VanDerWaalsContact O-N 3.08Å; S280-M283 WeakPolarHBondContact O-CB 3.5Å; S280-M283 PolarHBondContact O-N 2.96Å; S280-E284 PolarHBondContact O-N 3.44Å; S280-A294 WeakPolarHBondContact CB-O 3.42Å; S280-A294 PolarHBondContact N-O 3.07Å; S280-A294 PolarHBondContact OG-O 3.4Å
281I89.3Confident88.2Confident79 Ų79106.6 Ų106.641%0.40561%0.61SS.*G310 helixtrans-51.4-32.9175.8-60.3167.4000112.6P279 M283 E284 T290 S292P279-I281 PolarHBondContact O-N 3.35Å; P279-I281 VanDerWaalsContact O-N 3.12Å; I281-M283 VanDerWaalsContact C-N 3.28Å; I281-M283 PolarHBondContact O-N 3.27Å; I281-E284 PolarHBondContact O-N 3.45Å; I281-T290 HydrophobicContact CD1-CG2 4.44Å; I281-T290 HydrophobicContact CG1-CG2 4.34Å; I281-T290 HydrophobicContact CG2-CG2 4.28Å; I281-S292 WeakPolarHBondContact CG1-O 3.38Å
282V89.7Confident88.3Confident84 Ų84100.2 Ų100.251%0.50959%0.585SS.*G310 helixtrans-71.7-25.9180-177.70000112.2M278 P279 S280M278-V282 HydrophobicContact CE-CB 4.37Å; M278-V282 HydrophobicContact CE-CG1 3.73Å; M278-V282 HydrophobicContact CE-CG2 4.32Å; M278-V282 HydrophobicContact SD-CG1 4.27Å; P279-V282 PolarHBondContact O-N 3.38Å; S280-V282 PolarHBondContact O-N 3.07Å; S280-V282 VanDerWaalsContact O-N 3.08Å
283M89Confident88.5Confident144 Ų14498.3 Ų98.371%0.70958%0.584SS**THydrogen-bonded Turntrans-92.3-13.8179.1-60.5-60-59.800112.7S280 I281 T296S280-M283 WeakPolarHBondContact O-CB 3.5Å; S280-M283 PolarHBondContact O-N 2.96Å; I281-M283 VanDerWaalsContact C-N 3.28Å; I281-M283 PolarHBondContact O-N 3.27Å; M283-T296 HydrophobicContact CG-CG2 4.11Å
284E89.1Confident88.8Confident59 Ų5996.6 Ų96.628%0.27657%0.57SS.*SBendtrans-74.7153177.9-71.8179.3-168.300111.1S280 I281 V291 S292S280-E284 PolarHBondContact O-N 3.44Å; I281-E284 PolarHBondContact O-N 3.45Å; E284-V291 PolarHBondContact OE2-N 3.42Å; E284-S292 PolarHBondContact OE1-N 3.1Å
285E91.1Very high89.1Confident184 Ų18494 Ų9486%0.8655%0.554SS**  trans-65.3152.6171.8-63.3-179.517800110.3A287E285-A287 VanDerWaalsContact C-N 3.34Å; E285-A287 PolarHBondContact O-N 3.24Å
286V90.4Very high89.3Confident161 Ų16192 Ų9298%0.97654%0.542SS*.SBendtrans-7190.9-179.8-175.60000109.6
287A89.2Confident89.4Confident61 Ų6190.4 Ų90.450%0.50453%0.528SS..  trans-117.315217500000110.3E285 V289E285-A287 VanDerWaalsContact C-N 3.34Å; E285-A287 PolarHBondContact O-N 3.24Å; A287-V289 PolarHBondContact O-N 3.36Å; A287-V289 VanDerWaalsContact O-N 3.17Å
288P90.9Very high89.3Confident140 Ų14088.1 Ų88.191%0.90952%0.522SS*.SBendtrans-68.3-10.3179.226.8-34.4000114
289V90.3Very high89.4Confident111 Ų11189.9 Ų89.967%0.67354%0.538SS*.SBendtrans-125.9128.2179.9179.70000108.7A287A287-V289 PolarHBondContact O-N 3.36Å; A287-V289 VanDerWaalsContact O-N 3.17Å
290T87.4Confident89.4Confident80 Ų8091.5 Ų91.549%0.49154%0.54SS..  trans-84.4141.9175.456.60000110.3I281I281-T290 HydrophobicContact CD1-CG2 4.44Å; I281-T290 HydrophobicContact CG1-CG2 4.34Å; I281-T290 HydrophobicContact CG2-CG2 4.28Å
291V86Confident89.4Confident124 Ų12496.3 Ų96.375%0.75256%0.559SS**  trans-95-39.9-179.4-178.60000111.6E284E284-V291 PolarHBondContact OE2-N 3.42Å
292S85.9Confident89.4Confident49 Ų4997.4 Ų97.434%0.34357%0.565SS.*  trans-136.3137-171-65.10000114.9I281 E284I281-S292 WeakPolarHBondContact CG1-O 3.38Å; E284-S292 PolarHBondContact OE1-N 3.1Å
293D88.7Confident89.4Confident146 Ų146100.8 Ų100.878%0.78157%0.573SS**  trans-94.34.3174.3-63.3-21.9000113.6
294A90.4Very high89.4Confident56 Ų56104.5 Ų104.546%0.46358%0.579SS.*  trans-70.7159.9-175.800000112.9S280S280-A294 WeakPolarHBondContact CB-O 3.42Å; S280-A294 PolarHBondContact N-O 3.07Å; S280-A294 PolarHBondContact OG-O 3.4Å
295T91.2Very high89.2Confident79 Ų79111 Ų11149%0.48560%0.601SS.*BIsolated β-bridgetrans-91150.8167.554.90000110.6L297T295-L297 PolarHBondContact O-N 2.89Å; T295-L297 PolarHBondContact OG1-O 3.09Å
296T88.5Confident88.9Confident45 Ų45109 Ų10928%0.27659%0.591SS.*SBendtrans-62.5-36.1-178.751.80000113.9S276 M278 M283S276-T296 PolarHBondContact O-OG1 3.34Å; M278-T296 PolarHBondContact N-OG1 3.19Å; M278-T296 WeakPolarHBondContact O-CG2 3.43Å; M278-T296 PolarHBondContact O-N 3Å; M278-T296 PolarHBondContact O-OG1 3.01Å; M283-T296 HydrophobicContact CG-CG2 4.11Å
297L90Very high88.4Confident41 Ų41112.7 Ų112.722%0.21559%0.588CS.*SBendtrans-90.3142.7-179.3-64.5-173.8000112.4V275 N277 T295 E301 I302V275-L297 HydrophobicContact CG1-CD2 4.4Å; N277-L297 HydrophobicContact CB-CD1 3.66Å; N277-L297 HydrophobicContact CB-CG 4.07Å; T295-L297 PolarHBondContact O-N 2.89Å; T295-L297 PolarHBondContact OG1-O 3.09Å; L297-E301 WeakPolarHBondContact CA-OE2 3.29Å; L297-E301 WeakPolarHBondContact CD2-OE2 3.36Å; L297-I302 HydrophobicContact CB-CD1 4.4Å; L297-I302 HydrophobicContact CB-CG1 4.06Å; L297-I302 HydrophobicContact CD1-CG1 4.45Å
298A88.9Confident87.6Confident42 Ų42115.1 Ų115.135%0.34758%0.584SS.*  trans-73.5150.5173.100000111.3E300 E301 I302A298-E300 PolarHBondContact O-N 3.08Å; A298-E300 VanDerWaalsContact O-N 3.08Å; A298-E301 HydrophobicContact CB-CG 4.17Å; A298-E301 PolarHBondContact N-OE2 3.22Å; A298-E301 WeakPolarHBondContact O-CB 3.26Å; A298-E301 PolarHBondContact O-N 3.44Å; A298-I302 PolarHBondContact O-N 3.07Å; A298-I302 VanDerWaalsContact O-N 3.16Å
299P90.4Very high87.2Confident107 Ų107116.9 Ų116.970%0.69558%0.58SS**Hα-helixtrans-55.2-30.4175.3-27.435000114E301 K303P299-E301 VanDerWaalsContact C-N 3.35Å; P299-K303 PolarHBondContact O-N 3.35Å
300E91Very high86.7Confident102 Ų102117 Ų11748%0.47758%0.583SS.*Hα-helixtrans-72.2-24.8176.7-62.9-167164.700113.8A298 K303 R304 R305A298-E300 PolarHBondContact O-N 3.08Å; A298-E300 VanDerWaalsContact O-N 3.08Å; E300-K303 WeakPolarHBondContact CA-O 3.43Å; E300-K303 CarbonylContact O-C 3.35Å; E300-R304 WeakPolarHBondContact O-CA 3.17Å; E300-R304 PolarHBondContact O-N 2.98Å; E300-R305 HydrophobicContact CG-CG 4.42Å; E300-R305 VanDerWaalsContact OE1-CD 3.28Å; E300-R305 WeakPolarHBondContact OE1-CD 3.4Å; E300-R305 IonicContact OE1-CZ 2.78Å; E300-R305 IonicContact OE1-NE 3.77Å; E300-R305 PolarHBondContact OE1-NE 3.18Å; E300-R305 IonicContact OE1-NH1 3.79Å; E300-R305 PolarHBondContact OE1-NH1 3.36Å
301E89.4Confident86.5Confident128 Ų128116.3 Ų116.360%0.59858%0.581SS**Hα-helixtrans-81.1-37175.8-64.2171.1157.400110.8L297 A298 P299L297-E301 WeakPolarHBondContact CA-OE2 3.29Å; L297-E301 WeakPolarHBondContact CD2-OE2 3.36Å; A298-E301 HydrophobicContact CB-CG 4.17Å; A298-E301 PolarHBondContact N-OE2 3.22Å; A298-E301 WeakPolarHBondContact O-CB 3.26Å; A298-E301 PolarHBondContact O-N 3.44Å; P299-E301 VanDerWaalsContact C-N 3.35Å
302I89.1Confident86.6Confident103 Ų103112.2 Ų112.253%0.52856%0.561SS.*Hα-helixtrans-68-48.8172.7-59171.1000110.2L297 A298L297-I302 HydrophobicContact CB-CD1 4.4Å; L297-I302 HydrophobicContact CB-CG1 4.06Å; L297-I302 HydrophobicContact CD1-CG1 4.45Å; A298-I302 PolarHBondContact O-N 3.07Å; A298-I302 VanDerWaalsContact O-N 3.16Å
303K90.5Very high86.6Confident155 Ų155114.5 Ų114.567%0.67457%0.574SS**SBendtrans-133.6108.5178.1-173.9179.2179.8-179.50110.3P299 E300 R305P299-K303 PolarHBondContact O-N 3.35Å; E300-K303 WeakPolarHBondContact CA-O 3.43Å; E300-K303 CarbonylContact O-C 3.35Å; K303-R305 PolarHBondContact O-N 3.09Å
304R88.3Confident86.5Confident221 Ų221115.9 Ų115.983%0.83458%0.576SS**PPolyproline II helixtrans-58.5132.6173.4-67.8-178.5179.2172.81.2110.3E300 E306E300-R304 WeakPolarHBondContact O-CA 3.17Å; E300-R304 PolarHBondContact O-N 2.98Å; R304-E306 PolarHBondContact O-N 3.36Å
305R85.6Confident86.5Confident196 Ų196119.7 Ų119.774%0.7459%0.585SS**PPolyproline II helixtrans-62.9126.2171.5-72.5-179.8162.5170.2-11.1110.5E300 K303E300-R305 HydrophobicContact CG-CG 4.42Å; E300-R305 VanDerWaalsContact OE1-CD 3.28Å; E300-R305 WeakPolarHBondContact OE1-CD 3.4Å; E300-R305 IonicContact OE1-CZ 2.78Å; E300-R305 IonicContact OE1-NE 3.77Å; E300-R305 PolarHBondContact OE1-NE 3.18Å; E300-R305 IonicContact OE1-NH1 3.79Å; E300-R305 PolarHBondContact OE1-NH1 3.36Å; K303-R305 PolarHBondContact O-N 3.09Å
306E85.4Confident86.4Confident141 Ų141117.2 Ų117.266%0.65957%0.568SS**PPolyproline II helixtrans-64.7134.2171.3-68.4-177.2-174.700109.3R304 R308R304-E306 PolarHBondContact O-N 3.36Å; E306-R308 PolarHBondContact O-N 3.29Å
307R78.7Confident86.4Confident239 Ų239118.5 Ų118.590%0.90258%0.576SS**SBendtrans-72.4-14.5-175.7-65.8-176.9179.2-169-1.9113.2
308R73Confident86.5Confident113 Ų113121.6 Ų121.643%0.42659%0.59SS.*SBendtrans-154.5151.4-176.8-59.9-174.3-168.9171.55.1108.3E306E306-R308 PolarHBondContact O-N 3.29Å
309E81.9Confident86.7Confident176 Ų176124.4 Ų124.482%0.82260%0.602SS**  trans-59.6141.1164.5-67.2167.3-172.600109.7S311E309-S311 PolarHBondContact O-N 3.3Å
310P81.4Confident86.7Confident114 Ų114122.2 Ų122.274%0.7459%0.585SS**  trans-64.4119.7176.126.9-33.1000109
311S83.3Confident86.7Confident65 Ų65122.5 Ų122.546%0.45558%0.581SS.*  trans-127.4130175.1170.10000109.3E309 N316E309-S311 PolarHBondContact O-N 3.3Å; S311-N316 PolarHBondContact OG-ND2 2.87Å; S311-N316 VanDerWaalsContact OG-ND2 3.17Å
312A86.7Confident86.9Confident39 Ų39121.9 Ų121.932%0.32258%0.577SS.*  trans-74.2148.3179.900000110.7E314 E315 N316A312-E314 PolarHBondContact O-N 3.4Å; A312-E314 VanDerWaalsContact O-N 3.15Å; A312-E315 HydrophobicContact CB-CG 4.08Å; A312-E315 PolarHBondContact N-OE2 3.43Å; A312-E315 PolarHBondContact O-N 3.48Å; A312-N316 PolarHBondContact O-ND2 3.02Å
313P85.3Confident87.1Confident96 Ų96125.4 Ų125.462%0.62358%0.583SS**THydrogen-bonded Turntrans-60.9-26178.325.2-33.8000112.9R321P313-R321 PolarHBondContact O-NE 3.27Å; P313-R321 PolarHBondContact O-NH2 3.2Å
314E87.5Confident87.1Confident176 Ų176120.5 Ų120.582%0.82257%0.565SS**THydrogen-bonded Turntrans-71.8-36.8-180-64.8177.7-175.100113A312 N316A312-E314 PolarHBondContact O-N 3.4Å; A312-E314 VanDerWaalsContact O-N 3.15Å; E314-N316 VanDerWaalsContact C-N 3.28Å; E314-N316 PolarHBondContact O-N 2.95Å
315E89.7Confident87.3Confident136 Ų136118.1 Ų118.164%0.63656%0.555SS**THydrogen-bonded Turntrans-73.8-22.1178.8-61.7164.4171.700112.4A312 T317A312-E315 HydrophobicContact CB-CG 4.08Å; A312-E315 PolarHBondContact N-OE2 3.43Å; A312-E315 PolarHBondContact O-N 3.48Å; E315-T317 PolarHBondContact O-N 3.49Å
316N88.9Confident87.7Confident27 Ų27117 Ų11714%0.14455%0.551CS.*  trans-72.9119.9-175-80.1-73.7000111.1S311 A312 E314 D320 R321S311-N316 PolarHBondContact OG-ND2 2.87Å; S311-N316 VanDerWaalsContact OG-ND2 3.17Å; A312-N316 PolarHBondContact O-ND2 3.02Å; E314-N316 VanDerWaalsContact C-N 3.28Å; E314-N316 PolarHBondContact O-N 2.95Å; N316-D320 HydrophobicContact CB-CB 4.45Å; N316-R321 HydrophobicContact CB-CG 3.86Å; N316-R321 PolarHBondContact O-NE 2.73Å; N316-R321 VanDerWaalsContact O-NE 3.1Å
317T90.2Very high88.2Confident71 Ų71115.6 Ų115.644%0.43654%0.543SS..  trans-60156.5170.270.40000111E315 T319 D320 R321E315-T317 PolarHBondContact O-N 3.49Å; T317-T319 PolarHBondContact O-N 3.35Å; T317-T319 VanDerWaalsContact O-N 3.13Å; T317-T319 PolarHBondContact OG1-OG1 3.4Å; T317-D320 PolarHBondContact O-N 3.44Å; T317-D320 VanDerWaalsContact OG1-CG 3.24Å; T317-D320 PolarHBondContact OG1-N 2.94Å; T317-D320 PolarHBondContact OG1-OD2 3.42Å; T317-R321 WeakPolarHBondContact O-CG 3.41Å; T317-R321 PolarHBondContact O-N 3.05Å
318E91.3Very high88.9Confident107 Ų107108.9 Ų108.950%0.552%0.524SS..Hα-helixtrans-56.2-30175.9-76.2-61.4130.600112.9R321 K322E318-R321 IonicContact OE1-CZ 3.11Å; E318-R321 IonicContact OE1-NH1 2.7Å; E318-R321 PolarHBondContact OE1-NH1 2.67Å; E318-K322 VanDerWaalsContact O-CG 3.28Å; E318-K322 WeakPolarHBondContact O-CG 3.49Å; E318-K322 PolarHBondContact O-N 3.45Å
319T92.3Very high90Very high100 Ų100109.8 Ų109.861%0.61353%0.531SS*.Hα-helixtrans-71.7-40.9177.163.50000111.4T317 K322 R323T317-T319 PolarHBondContact O-N 3.35Å; T317-T319 VanDerWaalsContact O-N 3.13Å; T317-T319 PolarHBondContact OG1-OG1 3.4Å; T319-K322 PolarHBondContact O-N 2.94Å; T319-R323 WeakPolarHBondContact O-CB 3.36Å; T319-R323 PolarHBondContact O-N 3.23Å
320D91.4Very high90.7Very high62 Ų62110.5 Ų110.533%0.33253%0.526SS..Hα-helixtrans-66.6-44.9176.5-65.7-40.7000111.6N316 T317 K322 R323 L324N316-D320 HydrophobicContact CB-CB 4.45Å; T317-D320 PolarHBondContact O-N 3.44Å; T317-D320 VanDerWaalsContact OG1-CG 3.24Å; T317-D320 PolarHBondContact OG1-N 2.94Å; T317-D320 PolarHBondContact OG1-OD2 3.42Å; D320-K322 VanDerWaalsContact C-N 3.29Å; D320-K322 PolarHBondContact O-N 3.05Å; D320-R323 WeakPolarHBondContact O-CB 3.42Å; D320-R323 PolarHBondContact O-N 3.08Å; D320-R323 VanDerWaalsContact O-N 3.09Å; D320-L324 WeakPolarHBondContact O-CB 3.34Å; D320-L324 VanDerWaalsContact O-CG 3.25Å; D320-L324 WeakPolarHBondContact O-CG 3.49Å; D320-L324 PolarHBondContact O-N 3.34Å
321R90.9Very high91.3Very high107 Ų107108.2 Ų108.240%0.40451%0.507SS..Hα-helixtrans-54.6-44.7173.1-67175.6-179.7177.9-3.1111.5P313 N316 T317 E318 R325P313-R321 PolarHBondContact O-NE 3.27Å; P313-R321 PolarHBondContact O-NH2 3.2Å; N316-R321 HydrophobicContact CB-CG 3.86Å; N316-R321 PolarHBondContact O-NE 2.73Å; N316-R321 VanDerWaalsContact O-NE 3.1Å; T317-R321 WeakPolarHBondContact O-CG 3.41Å; T317-R321 PolarHBondContact O-N 3.05Å; E318-R321 IonicContact OE1-CZ 3.11Å; E318-R321 IonicContact OE1-NH1 2.7Å; E318-R321 PolarHBondContact OE1-NH1 2.67Å; R321-R325 WeakPolarHBondContact O-CB 3.4Å; R321-R325 PolarHBondContact O-N 3.32Å
322K94.2Very high91.9Very high116 Ų116111.1 Ų111.150%0.50451%0.514SS..Hα-helixtrans-66.6-41.1176.2-73172.3-173.5174.20112.2E318 T319 D320 R325 R326E318-K322 VanDerWaalsContact O-CG 3.28Å; E318-K322 WeakPolarHBondContact O-CG 3.49Å; E318-K322 PolarHBondContact O-N 3.45Å; T319-K322 PolarHBondContact O-N 2.94Å; D320-K322 VanDerWaalsContact C-N 3.29Å; D320-K322 PolarHBondContact O-N 3.05Å; K322-R325 PolarHBondContact O-N 2.88Å; K322-R326 WeakPolarHBondContact O-CG 3.44Å; K322-R326 PolarHBondContact O-N 2.95Å
323R92.4Very high92.3Very high176 Ų176113 Ų11366%0.66452%0.524SS*.Hα-helixtrans-62.6-46176.2-176-173.5-70.4-1121.7111.4T319 D320 R325 R326 K327T319-R323 WeakPolarHBondContact O-CB 3.36Å; T319-R323 PolarHBondContact O-N 3.23Å; D320-R323 WeakPolarHBondContact O-CB 3.42Å; D320-R323 PolarHBondContact O-N 3.08Å; D320-R323 VanDerWaalsContact O-N 3.09Å; R323-R325 PolarHBondContact O-N 3.33Å; R323-R326 PolarHBondContact O-N 2.99Å; R323-K327 PolarHBondContact O-N 2.78Å
324L90.1Very high92.7Very high53 Ų53113.6 Ų113.628%0.27752%0.521SS..Hα-helixtrans-57.8-47.3175-71.4171.6000111.2D320 R326 K327 I328D320-L324 WeakPolarHBondContact O-CB 3.34Å; D320-L324 VanDerWaalsContact O-CG 3.25Å; D320-L324 WeakPolarHBondContact O-CG 3.49Å; D320-L324 PolarHBondContact O-N 3.34Å; L324-R326 PolarHBondContact O-N 2.96Å; L324-K327 PolarHBondContact O-N 3.1Å; L324-I328 WeakPolarHBondContact O-CG1 3.17Å; L324-I328 PolarHBondContact O-N 3.39Å
325R92.7Very high92.9Very high170 Ų170113.1 Ų113.164%0.64251%0.512SS*.Hα-helixtrans-58.4-44.7175.8-173.2-177.8-71.4-142.7-2112.1R321 K322 R323 I328 K329R321-R325 WeakPolarHBondContact O-CB 3.4Å; R321-R325 PolarHBondContact O-N 3.32Å; K322-R325 PolarHBondContact O-N 2.88Å; R323-R325 PolarHBondContact O-N 3.33Å; R325-I328 PolarHBondContact O-N 3.34Å; R325-K329 HydrophobicContact CG-CD 4.47Å; R325-K329 WeakPolarHBondContact O-CB 3.22Å; R325-K329 WeakPolarHBondContact O-CG 3.09Å; R325-K329 PolarHBondContact O-N 3.12Å
326R95.5Very high93Very high172 Ų172109.1 Ų109.165%0.64950%0.499SS*.Hα-helixtrans-62.2-42.6175.7-68.6177.7-162.6136.6-0.1111.8K322 R323 L324 K329 R330K322-R326 WeakPolarHBondContact O-CG 3.44Å; K322-R326 PolarHBondContact O-N 2.95Å; R323-R326 PolarHBondContact O-N 2.99Å; L324-R326 PolarHBondContact O-N 2.96Å; R326-K329 PolarHBondContact O-N 3.47Å; R326-R330 WeakPolarHBondContact O-CB 3.31Å; R326-R330 PolarHBondContact O-N 2.95Å
327K94Very high92.9Very high112 Ų112114.4 Ų114.449%0.48752%0.52SS..Hα-helixtrans-63.9-45.8178-174.2169.6178.6176.50111.7R323 L324 R330 I331R323-K327 PolarHBondContact O-N 2.78Å; L324-K327 PolarHBondContact O-N 3.1Å; K327-R330 PolarHBondContact O-N 3Å; K327-I331 HydrophobicContact CG-CD1 4.18Å; K327-I331 WeakPolarHBondContact O-CG1 2.94Å; K327-I331 PolarHBondContact O-N 3.07Å
328I94.3Very high92.8Very high99 Ų99117.4 Ų117.451%0.50853%0.528SS..Hα-helixtrans-62.3-48.1176.1-66.8167.4000110.4L324 R325 R330 I331 Q332L324-I328 WeakPolarHBondContact O-CG1 3.17Å; L324-I328 PolarHBondContact O-N 3.39Å; R325-I328 PolarHBondContact O-N 3.34Å; I328-R330 VanDerWaalsContact C-N 3.31Å; I328-R330 PolarHBondContact O-N 3.07Å; I328-I331 PolarHBondContact O-N 3.33Å; I328-Q332 WeakPolarHBondContact O-CB 3.34Å; I328-Q332 PolarHBondContact O-N 3.02Å
329K96.4Very high92.4Very high131 Ų131118.8 Ų118.857%0.5753%0.534SS*.Hα-helixtrans-58.6-39.6176.1-77.2-172.8175.6-167.70112.5R325 R326 S333R325-K329 HydrophobicContact CG-CD 4.47Å; R325-K329 WeakPolarHBondContact O-CB 3.22Å; R325-K329 WeakPolarHBondContact O-CG 3.09Å; R325-K329 PolarHBondContact O-N 3.12Å; R326-K329 PolarHBondContact O-N 3.47Å; K329-S333 VanDerWaalsContact O-CB 3.25Å; K329-S333 WeakPolarHBondContact O-CB 3.28Å; K329-S333 PolarHBondContact O-N 3.47Å
330R95.9Very high91.8Very high191 Ų191120 Ų12072%0.72153%0.533SS*.Hα-helixtrans-63-47.9174.9-178.1-179.8-82.1176.1-5.5111.4R326 K327 I328 S333 L334R326-R330 WeakPolarHBondContact O-CB 3.31Å; R326-R330 PolarHBondContact O-N 2.95Å; K327-R330 PolarHBondContact O-N 3Å; I328-R330 VanDerWaalsContact C-N 3.31Å; I328-R330 PolarHBondContact O-N 3.07Å; R330-S333 PolarHBondContact O-N 3.11Å; R330-L334 HydrophobicContact CG-CD1 4.33Å; R330-L334 WeakPolarHBondContact O-CG 3.43Å; R330-L334 PolarHBondContact O-N 3.29Å
331I95Very high91Very high67 Ų67121.1 Ų121.134%0.34454%0.538SS..Hα-helixtrans-63.1-43.5178.4-66.3166000110.8K327 I328 L334 R335K327-I331 HydrophobicContact CG-CD1 4.18Å; K327-I331 WeakPolarHBondContact O-CG1 2.94Å; K327-I331 PolarHBondContact O-N 3.07Å; I328-I331 PolarHBondContact O-N 3.33Å; I331-L334 PolarHBondContact O-N 3.43Å; I331-R335 HydrophobicContact CG2-CG 4.5Å; I331-R335 WeakPolarHBondContact O-CG 3.36Å; I331-R335 PolarHBondContact O-N 2.95Å
332Q94.7Very high90.3Very high126 Ų126121.9 Ų121.959%0.58954%0.544SS*.Hα-helixtrans-63.1-42.7177.1-171.8-179.31500111.6I328 R335 C336I328-Q332 WeakPolarHBondContact O-CB 3.34Å; I328-Q332 PolarHBondContact O-N 3.02Å; Q332-R335 PolarHBondContact O-N 3.41Å; Q332-C336 VanDerWaalsContact O-CB 3.3Å; Q332-C336 WeakPolarHBondContact O-CB 3.28Å; Q332-C336 PolarHBondContact O-N 3.35Å
333S94.7Very high89.2Confident77 Ų77118.2 Ų118.254%0.53854%0.536SS..Hα-helixtrans-60.9-44.2174.8179.50000111.9K329 R330 C336 K337K329-S333 VanDerWaalsContact O-CB 3.25Å; K329-S333 WeakPolarHBondContact O-CB 3.28Å; K329-S333 PolarHBondContact O-N 3.47Å; R330-S333 PolarHBondContact O-N 3.11Å; S333-C336 PolarHBondContact O-N 2.97Å; S333-K337 WeakPolarHBondContact O-CB 3.4Å; S333-K337 PolarHBondContact O-N 2.8Å
334L93.9Very high87.7Confident109 Ų109111.4 Ų111.457%0.57152%0.52SS*.Hα-helixtrans-63.9-41.9175.4-70.7171.9000112.4R330 I331 K337 K338R330-L334 HydrophobicContact CG-CD1 4.33Å; R330-L334 WeakPolarHBondContact O-CG 3.43Å; R330-L334 PolarHBondContact O-N 3.29Å; I331-L334 PolarHBondContact O-N 3.43Å; L334-K337 PolarHBondContact O-N 3.09Å; L334-K338 WeakPolarHBondContact O-CB 3.5Å; L334-K338 PolarHBondContact O-N 3Å
335R93.4Very high86.2Confident166 Ų166113.8 Ų113.863%0.62653%0.53SS*.Hα-helixtrans-63.1-45.6174.8-74.8179-178.5-179.4-0.7111.6I331 Q332 K338 Q339I331-R335 HydrophobicContact CG2-CG 4.5Å; I331-R335 WeakPolarHBondContact O-CG 3.36Å; I331-R335 PolarHBondContact O-N 2.95Å; Q332-R335 PolarHBondContact O-N 3.41Å; R335-K338 PolarHBondContact O-N 3.15Å; R335-Q339 WeakPolarHBondContact O-CB 3.28Å; R335-Q339 WeakPolarHBondContact O-CG 3.33Å; R335-Q339 PolarHBondContact O-N 3.2Å
336C90Very high84.5Confident53 Ų53108.7 Ų108.736%0.35852%0.52SS..Hα-helixtrans-62-44.5176.7-173.90000111.1Q332 S333 K338 Q339 Q340Q332-C336 VanDerWaalsContact O-CB 3.3Å; Q332-C336 WeakPolarHBondContact O-CB 3.28Å; Q332-C336 PolarHBondContact O-N 3.35Å; S333-C336 PolarHBondContact O-N 2.97Å; C336-K338 PolarHBondContact O-N 3.33Å; C336-Q339 PolarHBondContact O-N 2.97Å; C336-Q340 WeakPolarHBondContact O-CB 3.42Å; C336-Q340 WeakPolarHBondContact O-CG 3.29Å; C336-Q340 PolarHBondContact O-N 3.05Å; C336-Q340 PolarHBondContact SG-NE2 3.15Å
337K87.7Confident82.5Confident137 Ų137105.5 Ų105.560%0.59652%0.516SS*.Hα-helixtrans-60.4-43.6174.7-169.8176.2-178.5-179.20111.8S333 L334 Q340 L341S333-K337 WeakPolarHBondContact O-CB 3.4Å; S333-K337 PolarHBondContact O-N 2.8Å; L334-K337 PolarHBondContact O-N 3.09Å; K337-Q340 PolarHBondContact O-N 2.93Å; K337-L341 VanDerWaalsContact O-CG 3.25Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.26Å
338K87.1Confident80.5Confident135 Ų135105.8 Ų105.859%0.58752%0.518SS*.Hα-helixtrans-63.7-41.7175.5-172.1175.1-177.2174.40111.8L334 R335 C336 L341 K342L334-K338 WeakPolarHBondContact O-CB 3.5Å; L334-K338 PolarHBondContact O-N 3Å; R335-K338 PolarHBondContact O-N 3.15Å; C336-K338 PolarHBondContact O-N 3.33Å; K338-L341 PolarHBondContact O-N 3.17Å; K338-K342 WeakPolarHBondContact O-CG 3.47Å; K338-K342 PolarHBondContact O-N 3.07Å
339Q83.6Confident78.5Confident135 Ų135105 Ų10563%0.63153%0.525SS*.Hα-helixtrans-66-40.3175.7-76.4176.3-13.500112.1R335 C336 L341 K342 A343R335-Q339 WeakPolarHBondContact O-CB 3.28Å; R335-Q339 WeakPolarHBondContact O-CG 3.33Å; R335-Q339 PolarHBondContact O-N 3.2Å; C336-Q339 PolarHBondContact O-N 2.97Å; Q339-L341 VanDerWaalsContact C-N 3.34Å; Q339-L341 PolarHBondContact O-N 2.91Å; Q339-K342 PolarHBondContact O-N 3.1Å; Q339-A343 WeakPolarHBondContact O-CB 3.43Å; Q339-A343 PolarHBondContact O-N 3.42Å
340Q79.6Confident76.3Confident127 Ų127103 Ų10359%0.59352%0.52SS*.Hα-helixtrans-66.2-35.5175.5-72.8176.812.500112.5C336 K337 G344C336-Q340 WeakPolarHBondContact O-CB 3.42Å; C336-Q340 WeakPolarHBondContact O-CG 3.29Å; C336-Q340 PolarHBondContact O-N 3.05Å; C336-Q340 PolarHBondContact SG-NE2 3.15Å; K337-Q340 PolarHBondContact O-N 2.93Å; Q340-G344 PolarHBondContact O-N 3.25Å
341L75.2Confident74.4Confident85 Ų8597.9 Ų97.945%0.44551%0.511SS..Hα-helixtrans-64.4-47.6172.7-69.5170000110.7K337 K338 Q339 G344 E345K337-L341 VanDerWaalsContact O-CG 3.25Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.26Å; K338-L341 PolarHBondContact O-N 3.17Å; Q339-L341 VanDerWaalsContact C-N 3.34Å; Q339-L341 PolarHBondContact O-N 2.91Å; L341-G344 PolarHBondContact O-N 3.41Å; L341-E345 VanDerWaalsContact O-CG 3.31Å; L341-E345 WeakPolarHBondContact O-CG 3.47Å; L341-E345 PolarHBondContact O-N 2.97Å; L341-E345 VanDerWaalsContact O-N 3.13Å
342K76.4Confident72.5Confident122 Ų12298.4 Ų98.453%0.5352%0.518SS..Hα-helixtrans-65.3-39.7175.7-72.4-172.9170.7-157.70113.8K338 Q339 E345 S346K338-K342 WeakPolarHBondContact O-CG 3.47Å; K338-K342 PolarHBondContact O-N 3.07Å; Q339-K342 PolarHBondContact O-N 3.1Å; K342-E345 WeakPolarHBondContact O-CB 3.34Å; K342-E345 PolarHBondContact O-N 2.97Å; K342-S346 PolarHBondContact O-N 3.37Å; K342-S346 PolarHBondContact O-OG 3.38Å
343A69.9Low70.9Confident39 Ų3999.2 Ų99.232%0.32252%0.52SS..Hα-helixtrans-70.2-39.3178.600000110.9Q339 E345 S346 D347Q339-A343 WeakPolarHBondContact O-CB 3.43Å; Q339-A343 PolarHBondContact O-N 3.42Å; A343-E345 PolarHBondContact O-N 2.98Å; A343-S346 WeakPolarHBondContact CA-OG 3.43Å; A343-S346 PolarHBondContact O-N 3.06Å; A343-S346 VanDerWaalsContact O-N 3.14Å; A343-S346 PolarHBondContact O-OG 3.34Å; A343-D347 WeakPolarHBondContact O-CB 3.28Å; A343-D347 PolarHBondContact O-N 3.01Å
344G61.1Low69.3Low33 Ų33100.8 Ų100.834%0.3452%0.522SS..Hα-helixtrans-65.3-18.7171.300000113.7Q340 L341 K348Q340-G344 PolarHBondContact O-N 3.25Å; L341-G344 PolarHBondContact O-N 3.41Å; G344-K348 VanDerWaalsContact O-CD 3.28Å; G344-K348 WeakPolarHBondContact O-CD 3.29Å; G344-K348 WeakPolarHBondContact O-CE 3.32Å; G344-K348 WeakPolarHBondContact O-CG 3.45Å
345E59Low67.7Low103 Ų103102 Ų10248%0.48152%0.523SS..Hα-helixtrans-82.4-43.2168.6-70.8159.2-172.700111L341 K342 A343L341-E345 VanDerWaalsContact O-CG 3.31Å; L341-E345 WeakPolarHBondContact O-CG 3.47Å; L341-E345 PolarHBondContact O-N 2.97Å; L341-E345 VanDerWaalsContact O-N 3.13Å; K342-E345 WeakPolarHBondContact O-CB 3.34Å; K342-E345 PolarHBondContact O-N 2.97Å; A343-E345 PolarHBondContact O-N 2.98Å
346S56.9Low66Low63 Ų6397.9 Ų97.944%0.44151%0.512SS..Hα-helixtrans-76.9-37.5-177.764.80000115.1K342 A343 K348 A349 L350K342-S346 PolarHBondContact O-N 3.37Å; K342-S346 PolarHBondContact O-OG 3.38Å; A343-S346 WeakPolarHBondContact CA-OG 3.43Å; A343-S346 PolarHBondContact O-N 3.06Å; A343-S346 VanDerWaalsContact O-N 3.14Å; A343-S346 PolarHBondContact O-OG 3.34Å; S346-K348 PolarHBondContact O-N 3.48Å; S346-A349 WeakPolarHBondContact O-CA 3.49Å; S346-A349 WeakPolarHBondContact O-CB 3.43Å; S346-A349 PolarHBondContact O-N 3.11Å; S346-L350 PolarHBondContact O-N 3.01Å
347D53.8Low64.7Low106 Ų106100.3 Ų100.357%0.56752%0.518SS*.THydrogen-bonded Turntrans-69.6-16.5-179.5-73.3-16.7000112.3A343A343-D347 WeakPolarHBondContact O-CB 3.28Å; A343-D347 PolarHBondContact O-N 3.01Å
348K51.5Low63.4Low118 Ų11899 Ų9951%0.51352%0.516SS..THydrogen-bonded Turntrans-86.1-13.7170.9-63.8-179.3-175-1780113.2G344 S346G344-K348 VanDerWaalsContact O-CD 3.28Å; G344-K348 WeakPolarHBondContact O-CD 3.29Å; G344-K348 WeakPolarHBondContact O-CE 3.32Å; G344-K348 WeakPolarHBondContact O-CG 3.45Å; S346-K348 PolarHBondContact O-N 3.48Å
349A51.7Low62Low81 Ų8198.9 Ų98.967%0.66952%0.521SS*.THydrogen-bonded Turntrans-92.3-13.8174.100000112.3S346S346-A349 WeakPolarHBondContact O-CA 3.49Å; S346-A349 WeakPolarHBondContact O-CB 3.43Å; S346-A349 PolarHBondContact O-N 3.11Å
350L51.6Low61Low89 Ų89100.5 Ų100.547%0.46652%0.521SS..SBendtrans-104.1124178.8-136.774.3000110.6S346S346-L350 PolarHBondContact O-N 3.01Å
351V56Low60.2Low85 Ų85102 Ų10252%0.51553%0.526SS..  trans-44.2131.2166.8174.40000108.6K353 K355V351-K353 PolarHBondContact O-N 3.37Å; V351-K355 HydrophobicContact CG1-CB 3.76Å; V351-K355 HydrophobicContact CG1-CD 4.2Å
352P55.5Low59.5Low78 Ų78103.7 Ų103.751%0.50654%0.54SS..  trans-46.6130.9-177-29.734.2000110.9D354 K355 M356P352-D354 PolarHBondContact O-N 3.29Å; P352-K355 PolarHBondContact O-N 3.41Å; P352-M356 PolarHBondContact O-N 3.04Å
353K60.2Low58.4Low142 Ų142101.1 Ų101.162%0.61755%0.548SS*.Hα-helixtrans-51-28.6-178.4-70.2177.7-179.9172.20111.9V351 M356 Q357V351-K353 PolarHBondContact O-N 3.37Å; K353-M356 PolarHBondContact O-N 3.06Å; K353-Q357 WeakPolarHBondContact O-CG 3.47Å; K353-Q357 PolarHBondContact O-N 2.98Å
354D61.2Low57.8Low111 Ų111103.9 Ų103.959%0.59456%0.561SS**Hα-helixtrans-62.3-40.9175.7-58.9-15.5000112.8P352 Q357 I358P352-D354 PolarHBondContact O-N 3.29Å; D354-Q357 PolarHBondContact O-N 3.45Å; D354-I358 WeakPolarHBondContact O-CD1 3.23Å; D354-I358 VanDerWaalsContact O-CG1 3.25Å; D354-I358 WeakPolarHBondContact O-CG1 3.47Å; D354-I358 PolarHBondContact O-N 3.17Å
355K60.5Low57.1Low135 Ų135108.7 Ų108.759%0.58758%0.583SS**Hα-helixtrans-69.2-34.7174.5-72.1-172178.2-172.30111.9V351 P352 L359V351-K355 HydrophobicContact CG1-CB 3.76Å; V351-K355 HydrophobicContact CG1-CD 4.2Å; P352-K355 PolarHBondContact O-N 3.41Å; K355-L359 PolarHBondContact O-N 3.39Å; K355-L359 VanDerWaalsContact O-N 3.12Å
356M58.7Low56.3Low79 Ų79112.5 Ų112.539%0.38960%0.598SS.*Hα-helixtrans-69.4-33.9172.3-84.5-167.47000113P352 K353 R360P352-M356 PolarHBondContact O-N 3.04Å; K353-M356 PolarHBondContact O-N 3.06Å; M356-R360 WeakPolarHBondContact O-CG 3.39Å; M356-R360 PolarHBondContact O-N 2.98Å; M356-R360 VanDerWaalsContact O-N 3.08Å
357Q61.7Low55.5Low104 Ų104119.6 Ų119.649%0.48662%0.621SS.*Hα-helixtrans-71.5-36.4175.5-74.4-178.222.700112K353 D354 R360 K361K353-Q357 WeakPolarHBondContact O-CG 3.47Å; K353-Q357 PolarHBondContact O-N 2.98Å; D354-Q357 PolarHBondContact O-N 3.45Å; Q357-R360 PolarHBondContact O-N 3.49Å; Q357-K361 WeakPolarHBondContact O-CG 3.17Å; Q357-K361 PolarHBondContact O-N 3Å
358I59.9Low55.3Low109 Ų109119.9 Ų119.956%0.55963%0.627SS**Hα-helixtrans-63.5-45.5173.4-67.7161.6000110.2D354 R360 K361 V362D354-I358 WeakPolarHBondContact O-CD1 3.23Å; D354-I358 VanDerWaalsContact O-CG1 3.25Å; D354-I358 WeakPolarHBondContact O-CG1 3.47Å; D354-I358 PolarHBondContact O-N 3.17Å; I358-R360 VanDerWaalsContact C-N 3.34Å; I358-R360 PolarHBondContact O-N 3.31Å; I358-K361 PolarHBondContact O-N 3.08Å; I358-V362 HydrophobicContact CG2-CG2 4.44Å; I358-V362 VanDerWaalsContact O-CG2 3.31Å; I358-V362 WeakPolarHBondContact O-CG2 3.45Å; I358-V362 PolarHBondContact O-N 3.38Å
359L58.4Low54.7Low132 Ų132123.2 Ų123.269%0.69165%0.646SS**Hα-helixtrans-63.2-35.7176.4-80.2159000113.3K355 G363K355-L359 PolarHBondContact O-N 3.39Å; K355-L359 VanDerWaalsContact O-N 3.12Å; L359-G363 PolarHBondContact O-N 3.41Å
360R62.8Low54.4Low169 Ų169126 Ų12664%0.63866%0.655SS**Hα-helixtrans-70.2-33.6174.3-75.7178.7-178158.6-0.2113.2M356 Q357 I358 T364M356-R360 WeakPolarHBondContact O-CG 3.39Å; M356-R360 PolarHBondContact O-N 2.98Å; M356-R360 VanDerWaalsContact O-N 3.08Å; Q357-R360 PolarHBondContact O-N 3.49Å; I358-R360 VanDerWaalsContact C-N 3.34Å; I358-R360 PolarHBondContact O-N 3.31Å; R360-T364 PolarHBondContact O-OG1 3.33Å
361K61.5Low54.1Low160 Ų160127.6 Ų127.670%0.69666%0.664SS**Hα-helixtrans-75.1-29.3177.6-76.8-178.9176.7-178.10113Q357 I358Q357-K361 WeakPolarHBondContact O-CG 3.17Å; Q357-K361 PolarHBondContact O-N 3Å; I358-K361 PolarHBondContact O-N 3.08Å
362V61.1Low53.6Low120 Ų120132 Ų13273%0.72768%0.679SS**Hα-helixtrans-80.2-23.6178.5179.40000112.1I358 T364I358-V362 HydrophobicContact CG2-CG2 4.44Å; I358-V362 VanDerWaalsContact O-CG2 3.31Å; I358-V362 WeakPolarHBondContact O-CG2 3.45Å; I358-V362 PolarHBondContact O-N 3.38Å; V362-T364 VanDerWaalsContact C-N 3.34Å; V362-T364 PolarHBondContact O-N 3.49Å
363G54.7Low52.8Low68 Ų68134.2 Ų134.270%0.70170%0.696SS**THydrogen-bonded Turntrans-81.2-2.9178.800000116.1L359L359-G363 PolarHBondContact O-N 3.41Å
364T56.9Low52.4Low97 Ų97131.8 Ų131.860%0.59570%0.703SS**SBendtrans-130.991.8-177.555.20000108.8R360 V362R360-T364 PolarHBondContact O-OG1 3.33Å; V362-T364 VanDerWaalsContact C-N 3.34Å; V362-T364 PolarHBondContact O-N 3.49Å
365V45.7Very low51.9Low134 Ų134135.7 Ų135.781%0.81272%0.717SS**  trans16799.7152.3157.90000109.4
366K42Very low51.2Low183 Ų183137.4 Ų137.480%0.79673%0.733SS**  trans154.670.1137.4-84.6-176.2-175.6-176.60110.5
367K40.5Very low51.1Low212 Ų212140.8 Ų140.892%0.92275%0.751SS**  trans-94.892.9151.3-166.2175.8-172175.60105.4
368T48.5Very low50.6Low111 Ų111144.6 Ų144.668%0.68177%0.766SS**  trans-137125.4174.648.20000109.4
369M39.9Very low50.2Low188 Ų188145.9 Ų145.993%0.92677%0.774SS**  trans83.474.6161.4-53.9-154.6151.300117.8
370V44.4Very low49.6Very low140 Ų140152.8 Ų152.885%0.84880%0.799SS**  trans-67.5112.2132.11730000107.2
371N47Very low49Very low123 Ų123152 Ų15266%0.65881%0.807SS**  trans-176.5118.8130.8-117.8-17.8000112.4
372Q45.3Very low48.3Very low178 Ų178151.6 Ų151.683%0.83281%0.812SS**  trans46.992.8139.8-651732.300118.4
373S39Very low47.6Very low124 Ų124153.3 Ų153.387%0.86782%0.817SS**  trans-163.882.8138.852.50000109.7
374A51.2Low47.2Very low91 Ų91158.4 Ų158.475%0.75282%0.824SS**  trans-146.7132161.400000107.6
375Q50.8Low46.6Very low192 Ų192162.2 Ų162.290%0.89784%0.838SS**  trans97.972.7173.9-54.117510.900115.2
376N45.7Very low46.6Very low172 Ų172164.1 Ų164.192%0.9284%0.84SS**  trans-123.190.2140.2-124.5-0.4000105.8
377I57Low47Very low149 Ų149162.7 Ų162.776%0.76484%0.843SS**  trans-139.9118.1172.2-71.6-179.7000106.9
378F51.2Low47.5Very low185 Ų185158.9 Ų158.981%0.81184%0.837SS**  trans65.7113.1161.7-94-110.6000118.3
379L49.9Very low47.4Very low136 Ų136162.9 Ų162.971%0.71285%0.85SS**  58.7111.468.7-87.8157.4000114.2
380F47.2Very low48.1Very low277 Ų277160.6 Ų160.6100%1.21584%0.843SS**  trans69.80165.8-92.7-86.5000119.5

Retrieved 380 of 380 residues in 438.1 ms (Link to these results)