A0A3Q0KTJ0_SCHMA Loading...

Putative sperm nuclear basic protein PL-I isoform PLIb

AlphaFold DB , UniProt , Accession A0A3Q0KTJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43Very low56.1Low242 Ų242134.2 Ų134.2100%1.19268%0.676SS**  0110.20-92.9165.6147.600108.3
2K49.1Very low57.4Low190 Ų190135.3 Ų135.383%0.82669%0.685SS**  trans-100.7123160.9-79.8-172.2173-167.60105.3
3T52.9Low58.9Low87 Ų87128.5 Ų128.553%0.53465%0.65SS.*  trans-69.6140.2-169.343.40000110.6D5 E6T3-D5 PolarHBondContact O-N 3.36Å; T3-E6 PolarHBondContact O-N 3.04Å
4E57.6Low60.3Low164 Ų164123.4 Ų123.477%0.76663%0.632SS**THydrogen-bonded Turntrans-63-6.8-178.6-64.4175165.500113.1E6 T7E4-E6 PolarHBondContact O-N 3.29Å; E4-T7 PolarHBondContact O-OG1 3.03Å
5D55.6Low61.5Low115 Ų115123.7 Ų123.762%0.61564%0.635SS**Hα-helixtrans-70.3-26.1177-63.1-35.3000114.1T3 T7T3-D5 PolarHBondContact O-N 3.36Å; D5-T7 VanDerWaalsContact C-N 3.31Å; D5-T7 PolarHBondContact O-N 3.26Å
6E57.5Low62.8Low129 Ų129122.7 Ų122.760%0.60363%0.631SS**Hα-helixtrans-73.2-25.1-179.4-74.9-172.4166.200112.8T3 E4T3-E6 PolarHBondContact O-N 3.04Å; E4-E6 PolarHBondContact O-N 3.29Å
7T56.6Low63.7Low92 Ų92121 Ų12156%0.56462%0.62SS**Hα-helixtrans-82-33.1-178.243.40000112.5E4 D5 K10E4-T7 PolarHBondContact O-OG1 3.03Å; D5-T7 VanDerWaalsContact C-N 3.31Å; D5-T7 PolarHBondContact O-N 3.26Å; T7-K10 PolarHBondContact O-N 3.43Å
8N56.1Low64.6Low97 Ų97117.3 Ų117.352%0.51960%0.601SS.*Hα-helixtrans-74.6-33.1-177.6-64.7-18.8000111.9K10 L11N8-K10 PolarHBondContact O-N 3.24Å; N8-K10 VanDerWaalsContact O-N 3.09Å; N8-L11 PolarHBondContact O-N 2.84Å; N8-L11 VanDerWaalsContact O-N 3.17Å
9N60.7Low65.4Low121 Ų121114.7 Ų114.765%0.64759%0.587SS**THydrogen-bonded Turntrans-65.8-11.6175.9-102.2-25.4000114.8
10K62.1Low66.3Low97 Ų97116 Ų11642%0.42259%0.589SS.*THydrogen-bonded Turntrans-87.5-18175.8-73.1-168.4173.5-1740114T7 N8 M13T7-K10 PolarHBondContact O-N 3.43Å; N8-K10 PolarHBondContact O-N 3.24Å; N8-K10 VanDerWaalsContact O-N 3.09Å; K10-M13 HydrophobicContact CB-CE 3.99Å; K10-M13 HydrophobicContact CG-CE 3.59Å
11L65.4Low67Low142 Ų142113.5 Ų113.574%0.74358%0.577SS**THydrogen-bonded Turntrans-76.5-29.2-176.1-70.1169.9000112.5N8N8-L11 PolarHBondContact O-N 2.84Å; N8-L11 VanDerWaalsContact O-N 3.17Å
12D71.7Confident68.8Low148 Ų148105.8 Ų105.879%0.79154%0.54SS*.SBendtrans-89.4-0.8-178.7-64.3-26.4000114.1
13M76.7Confident70.3Confident47 Ų47102.8 Ų102.823%0.23253%0.527CS..SBendtrans-85.8140.8-178.3-71.7-165-71.200112.5K10 E17 I18 L21K10-M13 HydrophobicContact CB-CE 3.99Å; K10-M13 HydrophobicContact CG-CE 3.59Å; M13-E17 HydrophobicContact CB-CB 4.19Å; M13-E17 HydrophobicContact SD-CB 4.27Å; M13-I18 HydrophobicContact CB-CD1 4.37Å; M13-I18 HydrophobicContact CB-CG1 3.85Å; M13-I18 HydrophobicContact CE-CG1 4.1Å; M13-L21 HydrophobicContact CE-CD1 3.5Å; M13-L21 HydrophobicContact SD-CD1 3.26Å; M13-L21 WeakPolarHBondContact SD-CD1 3.35Å
14S79.1Confident71.6Confident57 Ų57104.7 Ų104.740%0.39953%0.528SS..  trans-63.3151.9168.566.70000111.1D16 E17 I18S14-D16 PolarHBondContact O-N 3.43Å; S14-D16 VanDerWaalsContact O-N 3.11Å; S14-E17 WeakPolarHBondContact CB-OE2 3.27Å; S14-E17 PolarHBondContact N-OE2 3.42Å; S14-E17 WeakPolarHBondContact O-CB 3.44Å; S14-E17 PolarHBondContact O-N 2.94Å; S14-E17 VanDerWaalsContact OG-CG 3.26Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 2.82Å; S14-E17 PolarHBondContact OG-OE2 3.3Å; S14-I18 PolarHBondContact O-N 3.4Å; S14-I18 VanDerWaalsContact O-N 3.09Å
15L78.5Confident72.6Confident128 Ų128101.5 Ų101.567%0.6751%0.513SS*.Hα-helixtrans-54-35.3178.4-174.266.5000112.2I18 I19L15-I18 PolarHBondContact O-N 3.44Å; L15-I19 HydrophobicContact CG-CD1 4.08Å; L15-I19 WeakPolarHBondContact O-CD1 3.5Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 2.86Å
16D82.1Confident73.5Confident107 Ų10798.7 Ų98.757%0.57251%0.505SS*.Hα-helixtrans-67.5-36.2177.5-81.7-10.9000113.1S14 K20S14-D16 PolarHBondContact O-N 3.43Å; S14-D16 VanDerWaalsContact O-N 3.11Å; D16-K20 WeakPolarHBondContact O-CB 3.09Å; D16-K20 VanDerWaalsContact O-CG 3.23Å; D16-K20 WeakPolarHBondContact O-CG 3.27Å; D16-K20 PolarHBondContact O-N 3.11Å
17E78.5Confident74.3Confident94 Ų94101.3 Ų101.344%0.43951%0.51SS..Hα-helixtrans-69.9-41.1176.2-73.6164.5148.600111.3M13 S14 I19 K20 L21M13-E17 HydrophobicContact CB-CB 4.19Å; M13-E17 HydrophobicContact SD-CB 4.27Å; S14-E17 WeakPolarHBondContact CB-OE2 3.27Å; S14-E17 PolarHBondContact N-OE2 3.42Å; S14-E17 WeakPolarHBondContact O-CB 3.44Å; S14-E17 PolarHBondContact O-N 2.94Å; S14-E17 VanDerWaalsContact OG-CG 3.26Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 2.82Å; S14-E17 PolarHBondContact OG-OE2 3.3Å; E17-I19 PolarHBondContact O-N 2.94Å; E17-K20 PolarHBondContact O-N 3.08Å; E17-L21 WeakPolarHBondContact O-CB 3.05Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.24Å
18I79.7Confident75.3Confident54 Ų54103.3 Ų103.328%0.27751%0.511SS..Hα-helixtrans-58.8-48.2173.6-62.4171.5000110M13 S14 L15 K20 L21 D22M13-I18 HydrophobicContact CB-CD1 4.37Å; M13-I18 HydrophobicContact CB-CG1 3.85Å; M13-I18 HydrophobicContact CE-CG1 4.1Å; S14-I18 PolarHBondContact O-N 3.4Å; S14-I18 VanDerWaalsContact O-N 3.09Å; L15-I18 PolarHBondContact O-N 3.44Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 3.14Å; I18-L21 PolarHBondContact O-N 2.9Å; I18-D22 PolarHBondContact O-N 2.83Å
19I79.2Confident76.1Confident68 Ų68103.3 Ų103.335%0.34951%0.511SS..Hα-helixtrans-62.3-38.6178.1-69.1166.3000111.7L15 E17 K23L15-I19 HydrophobicContact CG-CD1 4.08Å; L15-I19 WeakPolarHBondContact O-CD1 3.5Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 2.86Å; E17-I19 PolarHBondContact O-N 2.94Å; I19-K23 HydrophobicContact CG2-CD 4.23Å; I19-K23 WeakPolarHBondContact O-CB 3.36Å; I19-K23 VanDerWaalsContact O-CG 3.29Å; I19-K23 WeakPolarHBondContact O-CG 3.08Å; I19-K23 PolarHBondContact O-N 3.3Å; I19-K23 VanDerWaalsContact O-N 3.12Å
20K83.5Confident76.5Confident141 Ų141104.7 Ų104.761%0.61351%0.511SS*.Hα-helixtrans-67.3-41.2177-76.4168.7-172.6168.50111.5D16 E17 I18 K23 K24D16-K20 WeakPolarHBondContact O-CB 3.09Å; D16-K20 VanDerWaalsContact O-CG 3.23Å; D16-K20 WeakPolarHBondContact O-CG 3.27Å; D16-K20 PolarHBondContact O-N 3.11Å; E17-K20 PolarHBondContact O-N 3.08Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 3.14Å; K20-K23 PolarHBondContact O-N 2.84Å; K20-K24 PolarHBondContact O-N 3.34Å
21L82.2Confident76.7Confident64 Ų64109 Ų10934%0.33553%0.525SS..Hα-helixtrans-65.8-46177.5-76.7173.4000111.8M13 E17 I18 K23 K24 E25M13-L21 HydrophobicContact CE-CD1 3.5Å; M13-L21 HydrophobicContact SD-CD1 3.26Å; M13-L21 WeakPolarHBondContact SD-CD1 3.35Å; E17-L21 WeakPolarHBondContact O-CB 3.05Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.24Å; I18-L21 PolarHBondContact O-N 2.9Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.09Å; L21-K24 CarbonylContact O-C 3.56Å; L21-K24 WeakPolarHBondContact O-CA 3.46Å; L21-K24 WeakPolarHBondContact O-CB 3.36Å; L21-K24 PolarHBondContact O-N 3.32Å; L21-E25 PolarHBondContact O-N 3.35Å
22D79.7Confident76.8Confident80 Ų80106.1 Ų106.143%0.42851%0.513SS..Hα-helixtrans-60-40176.6-77.4-7.7000111.6I18 K24 E25 A26I18-D22 PolarHBondContact O-N 2.83Å; D22-K24 VanDerWaalsContact C-N 3.32Å; D22-K24 PolarHBondContact O-N 2.93Å; D22-E25 PolarHBondContact O-N 3.32Å; D22-A26 VanDerWaalsContact O-CB 3.26Å; D22-A26 WeakPolarHBondContact O-CB 3.34Å; D22-A26 PolarHBondContact O-N 3.16Å
23K80.9Confident76.2Confident126 Ų126105.6 Ų105.655%0.54851%0.506SS..Hα-helixtrans-63.2-36.8173-76.9173.6-177.8170.80112.1I19 K20 L21 R27I19-K23 HydrophobicContact CG2-CD 4.23Å; I19-K23 WeakPolarHBondContact O-CB 3.36Å; I19-K23 VanDerWaalsContact O-CG 3.29Å; I19-K23 WeakPolarHBondContact O-CG 3.08Å; I19-K23 PolarHBondContact O-N 3.3Å; I19-K23 VanDerWaalsContact O-N 3.12Å; K20-K23 PolarHBondContact O-N 2.84Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.09Å; K23-R27 VanDerWaalsContact O-CG 3.22Å; K23-R27 WeakPolarHBondContact O-CG 3.41Å; K23-R27 PolarHBondContact O-N 2.89Å
24K81.3Confident75.4Confident128 Ų128109.2 Ų109.256%0.55752%0.522SS*.Hα-helixtrans-71.2-42.1178.1-167.6177.8-179.5-1790111.3K20 L21 D22 R27 K28K20-K24 PolarHBondContact O-N 3.34Å; L21-K24 CarbonylContact O-C 3.56Å; L21-K24 WeakPolarHBondContact O-CA 3.46Å; L21-K24 WeakPolarHBondContact O-CB 3.36Å; L21-K24 PolarHBondContact O-N 3.32Å; D22-K24 VanDerWaalsContact C-N 3.32Å; D22-K24 PolarHBondContact O-N 2.93Å; K24-R27 PolarHBondContact O-N 3.2Å; K24-K28 PolarHBondContact O-N 2.99Å; K24-K28 VanDerWaalsContact O-N 3.08Å
25E78Confident74.5Confident97 Ų97110.8 Ų110.845%0.45353%0.529SS..Hα-helixtrans-64.9-44.9175.1-72.2-171.2-178.700111.9L21 D22 R27 K28 N29L21-E25 PolarHBondContact O-N 3.35Å; D22-E25 PolarHBondContact O-N 3.32Å; E25-R27 PolarHBondContact O-N 3.34Å; E25-K28 PolarHBondContact O-N 3.43Å; E25-K28 VanDerWaalsContact O-N 3.08Å; E25-N29 PolarHBondContact O-N 3.27Å
26A73.1Confident73.6Confident55 Ų55110.1 Ų110.146%0.45553%0.525SS..Hα-helixtrans-59.2-35.7175.300000112.5D22 K30D22-A26 VanDerWaalsContact O-CB 3.26Å; D22-A26 WeakPolarHBondContact O-CB 3.34Å; D22-A26 PolarHBondContact O-N 3.16Å; A26-K30 PolarHBondContact O-N 3.33Å; A26-K30 VanDerWaalsContact O-N 3.08Å
27R76.1Confident72.5Confident185 Ų185108 Ų10870%0.69852%0.523SS*.Hα-helixtrans-68.3-40.9174.3-74.7171.1-178.2-168.91.8112.3K23 K24 E25 R31K23-R27 VanDerWaalsContact O-CG 3.22Å; K23-R27 WeakPolarHBondContact O-CG 3.41Å; K23-R27 PolarHBondContact O-N 2.89Å; K24-R27 PolarHBondContact O-N 3.2Å; E25-R27 PolarHBondContact O-N 3.34Å; R27-R31 PolarHBondContact O-N 2.78Å; R27-R31 VanDerWaalsContact O-N 3.15Å
28K77.7Confident71.5Confident134 Ų134108.3 Ų108.358%0.58353%0.526SS*.Hα-helixtrans-62.7-46175.1-74.1-176.9177.6-178.10111.2K24 E25 K30 R31 V32K24-K28 PolarHBondContact O-N 2.99Å; K24-K28 VanDerWaalsContact O-N 3.08Å; E25-K28 PolarHBondContact O-N 3.43Å; E25-K28 VanDerWaalsContact O-N 3.08Å; K28-K30 PolarHBondContact O-N 2.94Å; K28-R31 PolarHBondContact O-N 3.23Å; K28-R31 VanDerWaalsContact O-N 3.14Å; K28-V32 WeakPolarHBondContact O-CG2 3.4Å; K28-V32 PolarHBondContact O-N 3.12Å
29N71.9Confident70.3Confident97 Ų97114.6 Ų114.652%0.51955%0.546SS..Hα-helixtrans-65.1-37.4-179.9-69.4-16.3000112.5E25 V32 Q33E25-N29 PolarHBondContact O-N 3.27Å; N29-V32 PolarHBondContact O-N 2.93Å; N29-Q33 WeakPolarHBondContact O-CG 3.38Å; N29-Q33 PolarHBondContact O-N 3.5Å
30K69.4Low69.2Low149 Ų149112.9 Ų112.965%0.64855%0.546SS*.Hα-helixtrans-62.6-40.7171.7-87.1-175.8176.6178.20112.9A26 K28 Q33 Q34A26-K30 PolarHBondContact O-N 3.33Å; A26-K30 VanDerWaalsContact O-N 3.08Å; K28-K30 PolarHBondContact O-N 2.94Å; K30-Q33 PolarHBondContact O-N 3.46Å; K30-Q34 WeakPolarHBondContact O-CG 3.3Å; K30-Q34 PolarHBondContact O-N 3.28Å
31R66.3Low67.7Low188 Ų188115.7 Ų115.771%0.70955%0.552SS**Hα-helixtrans-62.5-48.1176.1-81.2-174.2173.4-172.6-1.4110.9R27 K28 Q33 Q34 T35R27-R31 PolarHBondContact O-N 2.78Å; R27-R31 VanDerWaalsContact O-N 3.15Å; K28-R31 PolarHBondContact O-N 3.23Å; K28-R31 VanDerWaalsContact O-N 3.14Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 2.97Å; R31-Q34 PolarHBondContact O-N 3.48Å; R31-Q34 VanDerWaalsContact O-N 3.16Å; R31-T35 PolarHBondContact O-N 2.86Å; R31-T35 PolarHBondContact O-OG1 3.44Å
32V66.9Low66.3Low81 Ų81121.9 Ų121.949%0.49157%0.571SS.*Hα-helixtrans-58.5-45.2178.7175.40000111.3K28 N29 Q34 T35 I36K28-V32 WeakPolarHBondContact O-CG2 3.4Å; K28-V32 PolarHBondContact O-N 3.12Å; N29-V32 PolarHBondContact O-N 2.93Å; V32-Q34 PolarHBondContact O-N 3.33Å; V32-T35 PolarHBondContact O-N 3.23Å; V32-I36 HydrophobicContact CG1-CD1 3.72Å; V32-I36 HydrophobicContact CG1-CG1 4.43Å; V32-I36 VanDerWaalsContact O-CG1 3.26Å; V32-I36 WeakPolarHBondContact O-CG1 3.44Å; V32-I36 PolarHBondContact O-N 2.88Å
33Q59.5Low65.1Low138 Ų138124 Ų12465%0.64558%0.578SS**Hα-helixtrans-64.6-37.8177.5-71-179.327.400112.9N29 K30 R31 A37N29-Q33 WeakPolarHBondContact O-CG 3.38Å; N29-Q33 PolarHBondContact O-N 3.5Å; K30-Q33 PolarHBondContact O-N 3.46Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 2.97Å; Q33-A37 VanDerWaalsContact O-CB 3.25Å; Q33-A37 WeakPolarHBondContact O-CB 3.31Å; Q33-A37 PolarHBondContact O-N 2.9Å
34Q59.3Low63.7Low122 Ų122122.5 Ų122.557%0.5758%0.576SS**Hα-helixtrans-65.3-42.6174.1-76.4178.2-1.400111.7K30 R31 V32 I36 A37 I38K30-Q34 WeakPolarHBondContact O-CG 3.3Å; K30-Q34 PolarHBondContact O-N 3.28Å; R31-Q34 PolarHBondContact O-N 3.48Å; R31-Q34 VanDerWaalsContact O-N 3.16Å; V32-Q34 PolarHBondContact O-N 3.33Å; Q34-I36 PolarHBondContact O-N 2.99Å; Q34-A37 PolarHBondContact O-N 3.46Å; Q34-I38 WeakPolarHBondContact O-CB 3.37Å; Q34-I38 WeakPolarHBondContact O-CD1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.46Å; Q34-I38 PolarHBondContact O-N 2.83Å
35T61.1Low62.3Low91 Ų91120.8 Ų120.856%0.55858%0.576SS**Hα-helixtrans-63.9-42.4178.6-36.50000111.4R31 V32 I38 R39R31-T35 PolarHBondContact O-N 2.86Å; R31-T35 PolarHBondContact O-OG1 3.44Å; V32-T35 PolarHBondContact O-N 3.23Å; T35-I38 PolarHBondContact O-N 2.85Å; T35-R39 VanDerWaalsContact O-CB 3.3Å; T35-R39 WeakPolarHBondContact O-CB 3.34Å; T35-R39 PolarHBondContact O-N 3.48Å
36I59.6Low61Low113 Ų113119.8 Ų119.858%0.57958%0.58SS**Hα-helixtrans-66.2-43.6177-63.1167.7000110.7V32 Q34 I38 R39 G40V32-I36 HydrophobicContact CG1-CD1 3.72Å; V32-I36 HydrophobicContact CG1-CG1 4.43Å; V32-I36 VanDerWaalsContact O-CG1 3.26Å; V32-I36 WeakPolarHBondContact O-CG1 3.44Å; V32-I36 PolarHBondContact O-N 2.88Å; Q34-I36 PolarHBondContact O-N 2.99Å; I36-I38 PolarHBondContact O-N 2.92Å; I36-R39 PolarHBondContact O-N 3.47Å; I36-G40 PolarHBondContact O-N 3.35Å
37A58.8Low60Low63 Ų63123.7 Ų123.752%0.52159%0.589SS.*Hα-helixtrans-64-39.7178.100000112.4Q33 Q34 R41Q33-A37 VanDerWaalsContact O-CB 3.25Å; Q33-A37 WeakPolarHBondContact O-CB 3.31Å; Q33-A37 PolarHBondContact O-N 2.9Å; Q34-A37 PolarHBondContact O-N 3.46Å; A37-R41 WeakPolarHBondContact O-CB 3.49Å; A37-R41 PolarHBondContact O-N 3.37Å; A37-R41 VanDerWaalsContact O-N 3.1Å
38I57.4Low58.7Low100 Ų100124.4 Ų124.451%0.51359%0.593SS.*Hα-helixtrans-69.2-41.2176.4-66.4164.3000110.6Q34 T35 I36 R41 R42Q34-I38 WeakPolarHBondContact O-CB 3.37Å; Q34-I38 WeakPolarHBondContact O-CD1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.46Å; Q34-I38 PolarHBondContact O-N 2.83Å; T35-I38 PolarHBondContact O-N 2.85Å; I36-I38 PolarHBondContact O-N 2.92Å; I38-R41 PolarHBondContact O-N 3.35Å; I38-R42 PolarHBondContact O-N 3.49Å
39R53.8Low57.4Low187 Ų187125.9 Ų125.971%0.70660%0.602SS**Hα-helixtrans-65-42.7178.9-158.1176.4-142.9-179.95.4111.8T35 I36 R41 R42 Q43T35-R39 VanDerWaalsContact O-CB 3.3Å; T35-R39 WeakPolarHBondContact O-CB 3.34Å; T35-R39 PolarHBondContact O-N 3.48Å; I36-R39 PolarHBondContact O-N 3.47Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 2.92Å; R39-Q43 PolarHBondContact O-N 3.47Å
40G56.2Low56.3Low32 Ų32129.1 Ų129.133%0.3361%0.614SS.*Hα-helixtrans-68.2-27.217500000113.9I36 N44I36-G40 PolarHBondContact O-N 3.35Å; G40-N44 PolarHBondContact O-ND2 3.31Å
41R52.8Low55.6Low199 Ų199131 Ų13175%0.75162%0.622SS**Hα-helixtrans-78.3-34.4175.4-142.7178.2-168.3-167.12.2112.4A37 I38 R39 V45A37-R41 WeakPolarHBondContact O-CB 3.49Å; A37-R41 PolarHBondContact O-N 3.37Å; A37-R41 VanDerWaalsContact O-N 3.1Å; I38-R41 PolarHBondContact O-N 3.35Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3.49Å; R41-V45 WeakPolarHBondContact O-CG2 3.48Å; R41-V45 PolarHBondContact O-N 2.9Å
42R52Low54.9Low195 Ų195127.2 Ų127.274%0.73662%0.622SS**Hα-helixtrans-70.9-35.4177.3-75.4-171.7172.2-151.1-1.2112.9I38 R39 N44 V45 S46I38-R42 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 2.92Å; R42-N44 VanDerWaalsContact C-N 3.33Å; R42-N44 PolarHBondContact O-N 3.35Å; R42-V45 PolarHBondContact O-N 2.91Å; R42-S46 PolarHBondContact O-N 2.87Å
43Q55.4Low54.1Low123 Ų123135.1 Ų135.158%0.57564%0.643SS**Hα-helixtrans-69.2-31.4176.6-71.8-179.6-22.500112.9R39 V45R39-Q43 PolarHBondContact O-N 3.47Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.48Å
44N50.6Low53.7Low95 Ų95135.3 Ų135.351%0.50865%0.647SS.*Hα-helixtrans-81.6-6.3177.3-78-51.2000114.2G40 R42 Y48G40-N44 PolarHBondContact O-ND2 3.31Å; R42-N44 VanDerWaalsContact C-N 3.33Å; R42-N44 PolarHBondContact O-N 3.35Å; N44-Y48 WeakPolarHBondContact O-CD2 3.44Å
45V52.6Low52.9Low92 Ų92133.3 Ų133.356%0.55865%0.647SS**Hα-helixtrans-98.4-28176177.80000111.4R41 R42 Q43R41-V45 WeakPolarHBondContact O-CG2 3.48Å; R41-V45 PolarHBondContact O-N 2.9Å; R42-V45 PolarHBondContact O-N 2.91Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.48Å
46S51.4Low52.3Low76 Ų76133.7 Ų133.753%0.53166%0.659SS.*Hα-helixtrans-75.8-27.9175.174.10000113.5R42R42-S46 PolarHBondContact O-N 2.87Å
47Q50.7Low51.8Low137 Ų137132.4 Ų132.464%0.6467%0.665SS**THydrogen-bonded Turntrans-78.6-17.5-179.8-71.5-171.9-13.700114.3
48Y49.9Very low51.3Low200 Ų200133.1 Ų133.178%0.78467%0.671SS**THydrogen-bonded Turntrans-95.2-0.6179.7-76.9-95.2000114.1N44N44-Y48 WeakPolarHBondContact O-CD2 3.44Å
49Q49.5Very low50.8Low165 Ų165134.2 Ų134.277%0.77168%0.683SS**SBendtrans-107-0.7174.3-67.4-162.1-1.200114.3K51Q49-K51 PolarHBondContact O-N 2.94Å
50Q49.2Very low50.3Low165 Ų165135.9 Ų135.977%0.77169%0.689SS**  trans-88.489.2170.9-70.9-176.5-13.100109.7
51K54Low49.9Very low188 Ų188142.4 Ų142.482%0.81772%0.715SS**  trans-54.1134.8160.5-70-179.8178.3-179.50107.8Q49 R53Q49-K51 PolarHBondContact O-N 2.94Å; K51-R53 PolarHBondContact O-N 2.97Å
52P52.1Low49.6Very low110 Ų110144.7 Ų144.771%0.71472%0.724SS**  trans-63.2107.6168.926.7-30000106.7I54P52-I54 HydrophobicContact CB-CG1 4.4Å; P52-I54 PolarHBondContact O-N 3.5Å
53R50.6Low49.2Very low247 Ų247138.7 Ų138.793%0.93272%0.723SS**  trans-66.584.2162.1-81.8-178.6160.5171.4-5.6105.9K51 S55K51-R53 PolarHBondContact O-N 2.97Å; R53-S55 PolarHBondContact O-N 3.49Å; R53-S55 VanDerWaalsContact O-N 3.09Å
54I49.9Very low49.2Very low142 Ų142140.1 Ų140.173%0.72873%0.734SS**  trans-62.5111.6164.8-60173.8000104.8P52 A56P52-I54 HydrophobicContact CB-CG1 4.4Å; P52-I54 PolarHBondContact O-N 3.5Å; I54-A56 PolarHBondContact O-N 2.93Å
55S42.3Very low49Very low80 Ų80145 Ų14556%0.55975%0.745SS**  trans-55.5125.3172.4167.90000108.9R53 A57 A58R53-S55 PolarHBondContact O-N 3.49Å; R53-S55 VanDerWaalsContact O-N 3.09Å; S55-A57 PolarHBondContact O-N 2.97Å; S55-A57 PolarHBondContact OG-N 3.28Å; S55-A58 PolarHBondContact O-N 3.36Å
56A49.8Very low48.9Very low99 Ų99150.1 Ų150.182%0.81876%0.763SS**THydrogen-bonded Turntrans-62.62.6175.700000113.7I54I54-A56 PolarHBondContact O-N 2.93Å
57A47.9Very low49Very low85 Ų85154.6 Ų154.670%0.70277%0.773SS**THydrogen-bonded Turntrans-92.7-4.617500000114.4S55 T59S55-A57 PolarHBondContact O-N 2.97Å; S55-A57 PolarHBondContact OG-N 3.28Å; A57-T59 VanDerWaalsContact C-N 3.34Å
58A49.1Very low48.6Very low79 Ų79159.6 Ų159.665%0.65379%0.786SS**  trans-89.37.1-179.500000114.4S55 R60S55-A58 PolarHBondContact O-N 3.36Å; A58-R60 PolarHBondContact O-N 3.5Å
59T47.8Very low48.7Very low123 Ų123157.8 Ų157.876%0.75579%0.789SS**  trans-94.158.5-179.1-36.20000111.5A57A57-T59 VanDerWaalsContact C-N 3.34Å
60R41.6Very low48.8Very low222 Ų222154.4 Ų154.484%0.83878%0.783SS**  trans-143.4138.2169.4-67-171.6173.4179.4-2.7109.7A58A58-R60 PolarHBondContact O-N 3.5Å
61L49Very low48.5Very low168 Ų168158 Ų15888%0.8879%0.79SS**  trans78.584.1178.9-67.7110.7000117.6
62R46.4Very low48.4Very low248 Ų248156 Ų15694%0.93679%0.787SS**  -162.980.4118.5-104.5174.3-165.5-151.13.3108.6
63G43Very low48.1Very low69 Ų69157.6 Ų157.671%0.71179%0.789SS**  trans-64.7133.1155.300000108
64L55.9Low47.9Very low153 Ų153156.2 Ų156.280%0.80178%0.784SS**  trans-174.1105.4151.5-97.1152.6000108.2
65R46.8Very low47.5Very low197 Ų197155.6 Ų155.674%0.74379%0.789SS**  trans77.183.5148.9-52.2178.3104.1-166.58.5117.2K67R65-K67 PolarHBondContact O-N 3.28Å
66Q50.1Low47.7Very low200 Ų200158.5 Ų158.594%0.93580%0.797SS**  trans-63.6105.6144.5-71175.6-11.200108.5
67K52.3Low47.4Very low169 Ų169163 Ų16374%0.73580%0.801SS**  trans-97.3113.8161.5-96.3-171.1174.1-171.50108.2R65 L69R65-K67 PolarHBondContact O-N 3.28Å; K67-L69 PolarHBondContact O-N 3.49Å
68R42.5Very low47Very low242 Ų242162.4 Ų162.491%0.91380%0.803SS**  trans-50.7123.6170.4-60.3165.578.6-166.46109.2
69L53.4Low46.4Very low163 Ų163164.5 Ų164.585%0.85381%0.813SS**  trans-117.9101158.1-71.8173.9000106.9K67K67-L69 PolarHBondContact O-N 3.49Å
70S50.1Low46.2Very low94 Ų94164.1 Ų164.166%0.65782%0.815SS**  trans-3.2118.3152.945.80000115.5
71R43.4Very low46.1Very low241 Ų241159.3 Ų159.391%0.90982%0.816SS**  33.5102.696.1-82.4-171.9-171-170.72.2112.2
72I51.4Low46.1Very low145 Ų145158.5 Ų158.574%0.74481%0.808SS**  trans-163.8107.9144.7-90.5140.5000107.5
73N47.2Very low46.1Very low144 Ų144153 Ų15377%0.7780%0.804SS**  trans60.6102.9140.7-54.5-17.2000121.2
74R46.6Very low46.1Very low218 Ų218157.1 Ų157.182%0.82381%0.805SS**  163.7126.2106.9-99177.7160168.4-5.8111.5
75P39.9Very low45.5Very low129 Ų129154.5 Ų154.584%0.83881%0.805SS**  trans-96.8125154.933.5-22.1000108.9
76I47.9Very low45.3Very low140 Ų140152 Ų15272%0.71881%0.806SS**  trans-127.3108.7160.9-64179.2000106.5
77Q43.6Very low44.8Very low194 Ų194148 Ų14891%0.90780%0.795SS**  trans-56.7140.7165.2-71.1166.8-27.900109.5
78G38.9Very low44.5Very low73 Ų73148.3 Ų148.375%0.75380%0.797SS**  trans178.574.617900000111.2S80G78-S80 PolarHBondContact O-N 3Å
79S36.8Very low44.7Very low122 Ų122144.9 Ų144.985%0.85380%0.796SS**  trans-51.5117.8165.938.60000112.1
80S42.9Very low44.5Very low115 Ų115146.1 Ų146.180%0.80480%0.795SS**  trans-172.4125.1137.446.60000109.6G78 Q82G78-S80 PolarHBondContact O-N 3Å; S80-Q82 PolarHBondContact O-N 3.48Å
81S40.9Very low44.4Very low121 Ų121152.1 Ų152.185%0.84680%0.803SS**  trans-72.3103.8175.747.50000110.6
82Q48.3Very low44.5Very low152 Ų152146.3 Ų146.371%0.7179%0.794SS**  trans-141.2117.6156-86.6-165.8-21.400108.7S80 Q84S80-Q82 PolarHBondContact O-N 3.48Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 2.91Å
83P45.6Very low44.5Very low133 Ų133148.6 Ų148.686%0.86480%0.799SS**  trans-78.289.6164.930.8-27.6000108.1A85P83-A85 PolarHBondContact O-N 3Å
84Q44.6Very low44.6Very low154 Ų154145.7 Ų145.772%0.7279%0.787SS**  trans-64.9117.9159.6-81.6-176.5000108.3Q82 L86Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 2.91Å; Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.32Å
85A42Very low45Very low99 Ų99140.9 Ų140.982%0.81878%0.781SS**  trans-61.992.4170.700000109.5P83 T87P83-A85 PolarHBondContact O-N 3Å; A85-T87 PolarHBondContact O-N 2.93Å
86L42.3Very low45.6Very low145 Ų145144.1 Ų144.176%0.75978%0.782SS**  trans-62.3105.4173.8-98.5131.3000110.2Q84Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.32Å
87T40.3Very low45.7Very low114 Ų114142.7 Ų142.770%0.69978%0.776SS**  trans-36.4129.8144.849.30000111.3A85A85-T87 PolarHBondContact O-N 2.93Å
88K45.9Very low46.1Very low177 Ų177138.3 Ų138.377%0.7776%0.757SS**  trans15977.3145.7-84.4159-168.4-178.60111.4K90K88-K90 PolarHBondContact O-N 3.26Å
89N46.4Very low46.6Very low170 Ų170146 Ų14691%0.90976%0.764SS**  trans-91.353.8154.7-84.3-34.4000110.2R91N89-R91 PolarHBondContact O-N 3.32Å
90K49Very low47.3Very low188 Ų188143.8 Ų143.882%0.81775%0.748SS**  trans-88.593.6159.6-86.6-175.9177179.30106.3K88 V92K88-K90 PolarHBondContact O-N 3.26Å; K90-V92 VanDerWaalsContact C-N 3.31Å; K90-V92 PolarHBondContact O-N 3.01Å
91R48.2Very low48Very low221 Ų221140.8 Ų140.883%0.83473%0.727SS**  trans-59.595.6170.1-75.4-178174.4-172.7-1.8108.3N89 F93N89-R91 PolarHBondContact O-N 3.32Å; R91-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact O-N 3.11Å
92V46Very low48.9Very low119 Ų119144.5 Ų144.572%0.72172%0.723SS**  trans-67.4105.2166.81780000106.3K90 T94K90-V92 VanDerWaalsContact C-N 3.31Å; K90-V92 PolarHBondContact O-N 3.01Å; V92-T94 VanDerWaalsContact C-N 3.34Å; V92-T94 PolarHBondContact O-N 3.39Å
93F50.6Low50Low193 Ų193141.3 Ų141.385%0.84672%0.717SS**  trans-63.596.7167.9-80.9-92.2000108R91 V95R91-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact O-N 3.11Å; F93-V95 PolarHBondContact O-N 3.1Å
94T49.3Very low51.1Low83 Ų83139.1 Ų139.151%0.50970%0.701SS.*  trans-67.7123.6171.951.40000109.1V92 K96 N97V92-T94 VanDerWaalsContact C-N 3.34Å; V92-T94 PolarHBondContact O-N 3.39Å; T94-K96 PolarHBondContact O-N 3.44Å; T94-N97 PolarHBondContact O-N 3.47Å; T94-N97 VanDerWaalsContact O-N 3.14Å
95V55Low52.4Low116 Ų116134.5 Ų134.570%0.70369%0.69SS**G310 helixtrans-48.6-18.6-179.3-178.40000114F93 N97 I98F93-V95 PolarHBondContact O-N 3.1Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 2.97Å; V95-I98 HydrophobicContact CB-CD1 4.19Å; V95-I98 HydrophobicContact CG1-CD1 3.72Å; V95-I98 WeakPolarHBondContact O-CD1 3.18Å; V95-I98 VanDerWaalsContact O-CG1 3.27Å; V95-I98 WeakPolarHBondContact O-CG1 3.43Å; V95-I98 PolarHBondContact O-N 3.12Å
96K54.2Low54.1Low197 Ų197134.5 Ų134.586%0.85767%0.672SS**G310 helixtrans-70.7-12.6179.3-64.9-177.3178.7179.70115T94T94-K96 PolarHBondContact O-N 3.44Å
97N49.4Very low55.7Low110 Ų110130.3 Ų130.359%0.58866%0.659SS**G310 helixtrans-91.23.2174.4-87.9-28.4000114.8T94 V95 S100 S101T94-N97 PolarHBondContact O-N 3.47Å; T94-N97 VanDerWaalsContact O-N 3.14Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 2.97Å; N97-S100 PolarHBondContact O-OG 2.82Å; N97-S101 PolarHBondContact O-N 2.91Å
98I51.7Low57.5Low102 Ų102129.7 Ų129.752%0.52366%0.655SS.*Hα-helixtrans-77.8-24.4-174-59.6173.3000112.5V95 S101V95-I98 HydrophobicContact CB-CD1 4.19Å; V95-I98 HydrophobicContact CG1-CD1 3.72Å; V95-I98 WeakPolarHBondContact O-CD1 3.18Å; V95-I98 VanDerWaalsContact O-CG1 3.27Å; V95-I98 WeakPolarHBondContact O-CG1 3.43Å; V95-I98 PolarHBondContact O-N 3.12Å; I98-S101 WeakPolarHBondContact CA-OG 3.25Å; I98-S101 PolarHBondContact O-OG 3.49Å
99R48.9Very low59.4Low236 Ų236125.9 Ų125.989%0.89164%0.642SS**Hα-helixtrans-77-36.1179.1-88.7-175176.1-171.7-0.9113.3S101R99-S101 VanDerWaalsContact C-N 3.34Å
100S50.9Low61.1Low74 Ų74124.5 Ų124.552%0.51762%0.624SS.*Hα-helixtrans-74.3-25.1175.638.50000112.6N97 T104N97-S100 PolarHBondContact O-OG 2.82Å; S100-T104 PolarHBondContact O-OG1 3.46Å
101S58.3Low62.6Low52 Ų52124.6 Ų124.636%0.36462%0.62SS.*Hα-helixtrans-73.2-23.3178.264.40000114.1N97 I98 R99 T104 A105N97-S101 PolarHBondContact O-N 2.91Å; I98-S101 WeakPolarHBondContact CA-OG 3.25Å; I98-S101 PolarHBondContact O-OG 3.49Å; R99-S101 VanDerWaalsContact C-N 3.34Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 2.88Å; S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.27Å
102R60.6Low64.1Low200 Ų200116.7 Ų116.776%0.75560%0.602SS**Hα-helixtrans-68.4-43.2-178.7-167.6175.6-176.2176.11.2112.2A105 Q106R102-A105 PolarHBondContact O-N 3.22Å; R102-Q106 VanDerWaalsContact O-CB 3.31Å; R102-Q106 WeakPolarHBondContact O-CB 3.35Å; R102-Q106 PolarHBondContact O-N 3.38Å
103S69.9Low66.1Low85 Ų85116.7 Ų116.759%0.59459%0.594SS**Hα-helixtrans-65.7-44.41771770000111.5Q106 A107S103-Q106 PolarHBondContact O-N 3.29Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.96Å
104T69.3Low67.8Low86 Ų86117 Ų11753%0.52859%0.589SS.*Hα-helixtrans-67-40176.855.80000112.1S100 S101 A107 V108S100-T104 PolarHBondContact O-OG1 3.46Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 2.88Å; T104-A107 PolarHBondContact O-N 3.25Å; T104-V108 VanDerWaalsContact O-CG2 3.3Å; T104-V108 WeakPolarHBondContact O-CG2 3.37Å; T104-V108 PolarHBondContact O-N 2.94Å
105A71.7Confident69.5Low58 Ų58117.3 Ų117.348%0.47959%0.592SS.*Hα-helixtrans-63.8-41.6175.500000111.2S101 R102 V108 L109S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.27Å; R102-A105 PolarHBondContact O-N 3.22Å; A105-V108 PolarHBondContact O-N 3.5Å; A105-L109 WeakPolarHBondContact O-CB 3.39Å; A105-L109 PolarHBondContact O-N 2.83Å
106Q79.1Confident70.8Confident98 Ų98114.6 Ų114.646%0.45858%0.581SS.*Hα-helixtrans-65.8-38.5175.7-167.9177.410.600112R102 S103 L109 R110R102-Q106 VanDerWaalsContact O-CB 3.31Å; R102-Q106 WeakPolarHBondContact O-CB 3.35Å; R102-Q106 PolarHBondContact O-N 3.38Å; S103-Q106 PolarHBondContact O-N 3.29Å; Q106-L109 PolarHBondContact O-N 2.88Å; Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 3.38Å
107A75.5Confident72.3Confident58 Ų58108.2 Ų108.248%0.47957%0.565SS.*Hα-helixtrans-64.9-42174.500000112.1S103 T104 R110 R111S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.96Å; T104-A107 PolarHBondContact O-N 3.25Å; A107-R110 PolarHBondContact O-N 3.13Å; A107-R111 WeakPolarHBondContact O-CB 3.48Å; A107-R111 PolarHBondContact O-N 2.98Å
108V78.4Confident73.9Confident100 Ų100105.7 Ų105.761%0.60656%0.559SS**Hα-helixtrans-63.2-42.9174171.70000110.8T104 A105 R111 A112T104-V108 VanDerWaalsContact O-CG2 3.3Å; T104-V108 WeakPolarHBondContact O-CG2 3.37Å; T104-V108 PolarHBondContact O-N 2.94Å; A105-V108 PolarHBondContact O-N 3.5Å; V108-R111 PolarHBondContact O-N 3.45Å; V108-A112 WeakPolarHBondContact O-CB 3.49Å; V108-A112 PolarHBondContact O-N 3.03Å
109L84.2Confident75.3Confident97 Ų97103.3 Ų103.351%0.50856%0.555SS.*Hα-helixtrans-63.6-46.8177.4-176144.4000111.8A105 Q106 R111 A112 Q113A105-L109 WeakPolarHBondContact O-CB 3.39Å; A105-L109 PolarHBondContact O-N 2.83Å; Q106-L109 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.29Å; L109-R111 PolarHBondContact O-N 3.31Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-Q113 HydrophobicContact CD2-CG 4.32Å; L109-Q113 WeakPolarHBondContact O-CG 3.46Å; L109-Q113 PolarHBondContact O-N 2.92Å
110R83.7Confident77Confident141 Ų14195 Ų9553%0.53254%0.537SS..Hα-helixtrans-60.8-38.7174.7-74.6-178.8-179.2-179.91.4111.9Q106 A107 R114Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 3.38Å; A107-R110 PolarHBondContact O-N 3.13Å; R110-R114 WeakPolarHBondContact O-CG 3.38Å; R110-R114 PolarHBondContact O-N 3.28Å; R110-R114 VanDerWaalsContact O-N 3.07Å
111R79.4Confident78.7Confident190 Ų19098.2 Ų98.272%0.71754%0.541SS*.Hα-helixtrans-65.3-45.9175.1-174.4178.6-177.2-179.41.9111.3A107 V108 L109 Q113 R114 T115A107-R111 WeakPolarHBondContact O-CB 3.48Å; A107-R111 PolarHBondContact O-N 2.98Å; V108-R111 PolarHBondContact O-N 3.45Å; L109-R111 VanDerWaalsContact C-N 3.29Å; L109-R111 PolarHBondContact O-N 3.31Å; R111-Q113 VanDerWaalsContact C-N 3.33Å; R111-Q113 PolarHBondContact O-N 3.06Å; R111-R114 PolarHBondContact O-N 3.45Å; R111-T115 PolarHBondContact O-N 3.31Å; R111-T115 PolarHBondContact O-OG1 3.38Å; R111-T115 VanDerWaalsContact O-OG1 3.12Å
112A80.4Confident79.8Confident56 Ų56100 Ų10046%0.46355%0.55SS.*Hα-helixtrans-60.4-42.417700000111.4V108 L109 R114 T115 A116V108-A112 WeakPolarHBondContact O-CB 3.49Å; V108-A112 PolarHBondContact O-N 3.03Å; L109-A112 PolarHBondContact O-N 3.45Å; A112-R114 PolarHBondContact O-N 3.1Å; A112-T115 PolarHBondContact O-N 2.91Å; A112-A116 WeakPolarHBondContact O-CB 3.47Å; A112-A116 PolarHBondContact O-N 2.82Å
113Q88.1Confident80.9Confident119 Ų11993.1 Ų93.156%0.55654%0.536SS*.Hα-helixtrans-59.9-45.1174.6-75174.8-26.900112.3L109 R111 T115 A116 A117L109-Q113 HydrophobicContact CD2-CG 4.32Å; L109-Q113 WeakPolarHBondContact O-CG 3.46Å; L109-Q113 PolarHBondContact O-N 2.92Å; R111-Q113 VanDerWaalsContact C-N 3.33Å; R111-Q113 PolarHBondContact O-N 3.06Å; Q113-T115 PolarHBondContact O-N 3.49Å; Q113-A116 PolarHBondContact O-N 3.16Å; Q113-A117 WeakPolarHBondContact O-CB 3.3Å; Q113-A117 PolarHBondContact O-N 3.49Å
114R85.1Confident81.6Confident198 Ų19891.6 Ų91.675%0.74753%0.528SS*.Hα-helixtrans-62.9-41.7176-72.4176.8-179.4179.8-0.7112.1R110 R111 A112 A117 A118R110-R114 WeakPolarHBondContact O-CG 3.38Å; R110-R114 PolarHBondContact O-N 3.28Å; R110-R114 VanDerWaalsContact O-N 3.07Å; R111-R114 PolarHBondContact O-N 3.45Å; A112-R114 PolarHBondContact O-N 3.1Å; R114-A117 PolarHBondContact O-N 3Å; R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 3.36Å
115T86.6Confident82.4Confident91 Ų9191.8 Ų91.856%0.55853%0.526SS*.Hα-helixtrans-66.3-39.8176.5-57.20000111.7R111 A112 Q113 A118 A119R111-T115 PolarHBondContact O-N 3.31Å; R111-T115 PolarHBondContact O-OG1 3.38Å; R111-T115 VanDerWaalsContact O-OG1 3.12Å; A112-T115 PolarHBondContact O-N 2.91Å; Q113-T115 PolarHBondContact O-N 3.49Å; T115-A118 PolarHBondContact O-N 2.9Å; T115-A119 WeakPolarHBondContact O-CB 3.37Å; T115-A119 PolarHBondContact O-N 3.45Å
116A80.7Confident83Confident58 Ų5891.3 Ų91.348%0.47952%0.522SS..Hα-helixtrans-64.7-43.4175.300000111.8A112 Q113 A119 A120A112-A116 WeakPolarHBondContact O-CB 3.47Å; A112-A116 PolarHBondContact O-N 2.82Å; Q113-A116 PolarHBondContact O-N 3.16Å; A116-A119 PolarHBondContact O-N 2.93Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.48Å
117A85.6Confident83.3Confident63 Ų6390.3 Ų90.352%0.52152%0.523SS..Hα-helixtrans-63.3-42.4175.800000112.2Q113 R114 A120 K121Q113-A117 WeakPolarHBondContact O-CB 3.3Å; Q113-A117 PolarHBondContact O-N 3.49Å; R114-A117 PolarHBondContact O-N 3Å; A117-A120 PolarHBondContact O-N 3.29Å; A117-K121 PolarHBondContact O-N 2.91Å
118A83Confident83.7Confident57 Ų5789.9 Ų89.947%0.47152%0.52SS..Hα-helixtrans-63.1-42.7174.500000111.8R114 T115 K121 T122R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 3.36Å; T115-A118 PolarHBondContact O-N 2.9Å; A118-K121 PolarHBondContact O-N 2.83Å; A118-T122 WeakPolarHBondContact O-CG2 3.5Å; A118-T122 PolarHBondContact O-N 3.46Å; A118-T122 PolarHBondContact O-OG1 3.48Å
119A82.3Confident84.1Confident52 Ų5290.1 Ų90.143%0.4352%0.517SS..Hα-helixtrans-64.2-43.1176.500000112T115 A116 K121 T122 A123T115-A119 WeakPolarHBondContact O-CB 3.37Å; T115-A119 PolarHBondContact O-N 3.45Å; A116-A119 PolarHBondContact O-N 2.93Å; A119-K121 VanDerWaalsContact C-N 3.33Å; A119-K121 PolarHBondContact O-N 3Å; A119-T122 WeakPolarHBondContact CA-OG1 3.4Å; A119-T122 PolarHBondContact O-N 2.88Å; A119-T122 PolarHBondContact O-OG1 2.97Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.07Å
120A83.8Confident84.2Confident61 Ų6190.3 Ų90.350%0.50452%0.518SS..Hα-helixtrans-60.2-42.3175.700000111.6A116 A117 A123 A124A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.48Å; A117-A120 PolarHBondContact O-N 3.29Å; A120-A123 PolarHBondContact O-N 2.96Å; A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.43Å
121K87Confident84.2Confident143 Ų14389.6 Ų89.662%0.62252%0.521SS*.Hα-helixtrans-61.1-46.9174.2-170.2175.1-178.6176.60111.9A117 A118 A119 A123 A124 D125A117-K121 PolarHBondContact O-N 2.91Å; A118-K121 PolarHBondContact O-N 2.83Å; A119-K121 VanDerWaalsContact C-N 3.33Å; A119-K121 PolarHBondContact O-N 3Å; K121-A123 VanDerWaalsContact C-N 3.29Å; K121-A123 PolarHBondContact O-N 3.42Å; K121-A124 PolarHBondContact O-N 3.44Å; K121-D125 PolarHBondContact O-N 3.36Å
122T82.4Confident84.4Confident90 Ų9088.3 Ų88.355%0.55252%0.516SS*.Hα-helixtrans-64.4-33.4176.856.40000113.2A118 A119 A126A118-T122 WeakPolarHBondContact O-CG2 3.5Å; A118-T122 PolarHBondContact O-N 3.46Å; A118-T122 PolarHBondContact O-OG1 3.48Å; A119-T122 WeakPolarHBondContact CA-OG1 3.4Å; A119-T122 PolarHBondContact O-N 2.88Å; A119-T122 PolarHBondContact O-OG1 2.97Å; T122-A126 WeakPolarHBondContact O-CB 3.39Å; T122-A126 PolarHBondContact O-N 3.31Å
123A82.2Confident84.6Confident54 Ų5489.2 Ų89.245%0.44651%0.513SS..Hα-helixtrans-68.6-42.2175.300000111A119 A120 K121 A126 T127A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.07Å; A120-A123 PolarHBondContact O-N 2.96Å; K121-A123 VanDerWaalsContact C-N 3.29Å; K121-A123 PolarHBondContact O-N 3.42Å; A123-A126 PolarHBondContact O-N 3.16Å; A123-T127 WeakPolarHBondContact O-CG2 3.15Å; A123-T127 PolarHBondContact O-N 3.38Å; A123-T127 PolarHBondContact O-OG1 3.01Å
124A85.1Confident84.3Confident53 Ų5391 Ų9144%0.43851%0.514SS..Hα-helixtrans-63-41.9174.900000112.3A120 K121 A126 T127 A128A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.43Å; K121-A124 PolarHBondContact O-N 3.44Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 3.19Å; A124-T127 WeakPolarHBondContact CA-OG1 3.22Å; A124-T127 PolarHBondContact O-N 3.4Å; A124-T127 PolarHBondContact O-OG1 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.5Å; A124-A128 PolarHBondContact O-N 3.47Å
125D86Confident84.1Confident90 Ų9085.9 Ų85.948%0.48150%0.501SS..Hα-helixtrans-63-41.1174.7-68.4-23.3000111K121 A128 L129K121-D125 PolarHBondContact O-N 3.36Å; D125-A128 PolarHBondContact O-N 3.06Å; D125-L129 WeakPolarHBondContact O-CG 3.4Å; D125-L129 PolarHBondContact O-N 3.42Å
126A84.1Confident83.9Confident48 Ų4885.4 Ų85.440%0.39749%0.492SS..Hα-helixtrans-65.9-39.5176.700000112.6T122 A123 A124 L129 L130T122-A126 WeakPolarHBondContact O-CB 3.39Å; T122-A126 PolarHBondContact O-N 3.31Å; A123-A126 PolarHBondContact O-N 3.16Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 3.19Å; A126-L129 PolarHBondContact O-N 3.05Å; A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 3.08Å
127T85.5Confident83.8Confident77 Ų7790 Ų9047%0.47250%0.498SS..Hα-helixtrans-68.7-39175.8560000111.7A123 A124 L129 L130 Q131A123-T127 WeakPolarHBondContact O-CG2 3.15Å; A123-T127 PolarHBondContact O-N 3.38Å; A123-T127 PolarHBondContact O-OG1 3.01Å; A124-T127 WeakPolarHBondContact CA-OG1 3.22Å; A124-T127 PolarHBondContact O-N 3.4Å; A124-T127 PolarHBondContact O-OG1 3.28Å; T127-L129 VanDerWaalsContact C-N 3.35Å; T127-L129 PolarHBondContact O-N 3.43Å; T127-L130 PolarHBondContact O-N 3.04Å; T127-Q131 WeakPolarHBondContact O-CG 3.09Å; T127-Q131 PolarHBondContact O-N 3.27Å
128A83.7Confident83.4Confident50 Ų5093 Ų9341%0.41350%0.5SS..Hα-helixtrans-60.5-42.7173.800000111.9A124 D125 L130 Q131 R132A124-A128 WeakPolarHBondContact O-CB 3.5Å; A124-A128 PolarHBondContact O-N 3.47Å; D125-A128 PolarHBondContact O-N 3.06Å; A128-L130 PolarHBondContact O-N 2.86Å; A128-Q131 PolarHBondContact O-N 3.14Å; A128-R132 PolarHBondContact O-N 3.15Å
129L87.2Confident83.2Confident104 Ų10495.3 Ų95.355%0.54550%0.502SS..Hα-helixtrans-62.6-40.3174.2-72.8174000112.5D125 A126 T127 R132 N133D125-L129 WeakPolarHBondContact O-CG 3.4Å; D125-L129 PolarHBondContact O-N 3.42Å; A126-L129 PolarHBondContact O-N 3.05Å; T127-L129 VanDerWaalsContact C-N 3.35Å; T127-L129 PolarHBondContact O-N 3.43Å; L129-R132 PolarHBondContact O-N 3.19Å; L129-N133 WeakPolarHBondContact O-CB 3.26Å; L129-N133 PolarHBondContact O-N 3.26Å; L129-N133 PolarHBondContact O-ND2 2.99Å; L129-N133 VanDerWaalsContact O-ND2 3.14Å
130L86.2Confident83.1Confident102 Ų10297.4 Ų97.453%0.53451%0.505SS..Hα-helixtrans-65.4-39.3176.4-73.7172.9000112.3A126 T127 A128 N133 R134A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 3.08Å; T127-L130 PolarHBondContact O-N 3.04Å; A128-L130 PolarHBondContact O-N 2.86Å; L130-N133 PolarHBondContact O-N 3.23Å; L130-R134 WeakPolarHBondContact O-CG 3.37Å; L130-R134 PolarHBondContact O-N 3.37Å
131Q83.6Confident82.7Confident125 Ų12599.6 Ų99.658%0.58450%0.503SS*.Hα-helixtrans-64.8-46.3175.2-73.2177.9-11.500111.4T127 A128 N133 R134 I135T127-Q131 WeakPolarHBondContact O-CG 3.09Å; T127-Q131 PolarHBondContact O-N 3.27Å; A128-Q131 PolarHBondContact O-N 3.14Å; Q131-N133 VanDerWaalsContact C-N 3.33Å; Q131-N133 PolarHBondContact O-N 3.03Å; Q131-R134 WeakPolarHBondContact O-CA 3.43Å; Q131-R134 WeakPolarHBondContact O-CB 3.42Å; Q131-R134 PolarHBondContact O-N 3.41Å; Q131-I135 PolarHBondContact O-N 3.35Å
132R83.5Confident81.9Confident163 Ų16397.5 Ų97.562%0.61550%0.499SS*.Hα-helixtrans-58-45175.6-170.3176.4-179.2179.11.4111.9A128 L129 R134 I135 Q136A128-R132 PolarHBondContact O-N 3.15Å; L129-R132 PolarHBondContact O-N 3.19Å; R132-R134 VanDerWaalsContact C-N 3.26Å; R132-R134 PolarHBondContact O-N 2.73Å; R132-I135 PolarHBondContact O-N 3.41Å; R132-Q136 WeakPolarHBondContact O-CG 3.48Å; R132-Q136 PolarHBondContact O-N 3.02Å
133N85Confident81.3Confident75 Ų7599 Ų9940%0.40150%0.5SS..Hα-helixtrans-65.2-26.1175.4-78-37.8000113.5L129 L130 Q131 R137L129-N133 WeakPolarHBondContact O-CB 3.26Å; L129-N133 PolarHBondContact O-N 3.26Å; L129-N133 PolarHBondContact O-ND2 2.99Å; L129-N133 VanDerWaalsContact O-ND2 3.14Å; L130-N133 PolarHBondContact O-N 3.23Å; Q131-N133 VanDerWaalsContact C-N 3.33Å; Q131-N133 PolarHBondContact O-N 3.03Å; N133-R137 WeakPolarHBondContact O-CB 3.38Å; N133-R137 VanDerWaalsContact O-CG 3.31Å; N133-R137 WeakPolarHBondContact O-CG 3.29Å; N133-R137 PolarHBondContact O-N 3.44Å; N133-R137 PolarHBondContact O-NE 3.36Å
134R81.7Confident80.4Confident156 Ų156105.7 Ų105.759%0.58951%0.513SS*.Hα-helixtrans-72.6-46.5172.6-77.3177178.7-171-0.1110.9L130 Q131 R132 R137 Q138L130-R134 WeakPolarHBondContact O-CG 3.37Å; L130-R134 PolarHBondContact O-N 3.37Å; Q131-R134 WeakPolarHBondContact O-CA 3.43Å; Q131-R134 WeakPolarHBondContact O-CB 3.42Å; Q131-R134 PolarHBondContact O-N 3.41Å; R132-R134 VanDerWaalsContact C-N 3.26Å; R132-R134 PolarHBondContact O-N 2.73Å; R134-R137 PolarHBondContact O-N 3.15Å; R134-Q138 WeakPolarHBondContact O-CG 3.47Å; R134-Q138 PolarHBondContact O-N 2.9Å
135I81.1Confident79.3Confident92 Ų92111.9 Ų111.947%0.47253%0.525SS..Hα-helixtrans-61.9-46.6178.9-63.5167.9000110.5Q131 R132 R137 Q138 Q139Q131-I135 PolarHBondContact O-N 3.35Å; R132-I135 PolarHBondContact O-N 3.41Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 3.33Å; I135-Q138 WeakPolarHBondContact O-CB 3.46Å; I135-Q138 PolarHBondContact O-N 3.44Å; I135-Q138 VanDerWaalsContact O-N 3.09Å; I135-Q139 WeakPolarHBondContact O-CG 3.42Å; I135-Q139 PolarHBondContact O-N 3.08Å
136Q82.6Confident78Confident80 Ų80114.7 Ų114.737%0.37454%0.541SS..Hα-helixtrans-59.6-41.3176.7-74.3178.4-2100112.5R132 Q138 Q139 L140R132-Q136 WeakPolarHBondContact O-CG 3.48Å; R132-Q136 PolarHBondContact O-N 3.02Å; Q136-Q138 VanDerWaalsContact C-N 3.33Å; Q136-Q138 PolarHBondContact O-N 2.91Å; Q136-Q139 PolarHBondContact O-N 3.2Å; Q136-L140 WeakPolarHBondContact O-CG 3.42Å; Q136-L140 PolarHBondContact O-N 3.49Å
137R78.6Confident76.6Confident156 Ų156118.1 Ų118.159%0.58955%0.551SS**Hα-helixtrans-65.9-35.5175.2-79.2-177-69.4-169.4-0.3112.7N133 R134 I135 F141N133-R137 WeakPolarHBondContact O-CB 3.38Å; N133-R137 VanDerWaalsContact O-CG 3.31Å; N133-R137 WeakPolarHBondContact O-CG 3.29Å; N133-R137 PolarHBondContact O-N 3.44Å; N133-R137 PolarHBondContact O-NE 3.36Å; R134-R137 PolarHBondContact O-N 3.15Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 3.33Å; R137-F141 VanDerWaalsContact O-CB 3.28Å; R137-F141 WeakPolarHBondContact O-CB 3.34Å; R137-F141 PolarHBondContact O-N 3.32Å
138Q77.3Confident74.9Confident124 Ų124122.1 Ų122.158%0.57956%0.564SS**Hα-helixtrans-66.9-41.7173.7-74.1177.3-12.900111.4R134 I135 Q136 F141 N142R134-Q138 WeakPolarHBondContact O-CG 3.47Å; R134-Q138 PolarHBondContact O-N 2.9Å; I135-Q138 WeakPolarHBondContact O-CB 3.46Å; I135-Q138 PolarHBondContact O-N 3.44Å; I135-Q138 VanDerWaalsContact O-N 3.09Å; Q136-Q138 VanDerWaalsContact C-N 3.33Å; Q136-Q138 PolarHBondContact O-N 2.91Å; Q138-F141 PolarHBondContact O-N 2.89Å; Q138-N142 WeakPolarHBondContact O-CB 3.26Å; Q138-N142 PolarHBondContact O-N 2.94Å; Q138-N142 PolarHBondContact O-ND2 3.02Å; Q138-N142 PolarHBondContact O-OD1 3.33Å
139Q79.4Confident73.3Confident106 Ų106125.7 Ų125.750%0.49558%0.583SS.*Hα-helixtrans-60-50.5174.4-72.4172.5-25.800111.3I135 Q136 F141 N142 E143I135-Q139 WeakPolarHBondContact O-CG 3.42Å; I135-Q139 PolarHBondContact O-N 3.08Å; Q136-Q139 PolarHBondContact O-N 3.2Å; Q139-F141 VanDerWaalsContact C-N 3.25Å; Q139-F141 PolarHBondContact O-N 3.44Å; Q139-N142 PolarHBondContact O-N 2.94Å; Q139-N142 VanDerWaalsContact O-N 3.1Å; Q139-E143 WeakPolarHBondContact O-CG 3.38Å; Q139-E143 PolarHBondContact O-N 3.08Å
140L79Confident71.4Confident97 Ų97126.7 Ų126.751%0.50859%0.594SS.*Hα-helixtrans-59.6-34.8175.5-71.9173000112.9Q136 R144Q136-L140 WeakPolarHBondContact O-CG 3.42Å; Q136-L140 PolarHBondContact O-N 3.49Å; L140-R144 WeakPolarHBondContact O-CB 3.38Å; L140-R144 VanDerWaalsContact O-CG 3.27Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.12Å; L140-R144 VanDerWaalsContact O-N 3.14Å
141F75.1Confident69.3Low106 Ų106127 Ų12747%0.46560%0.604SS.*Hα-helixtrans-70.8-39.6176.3-176.3-101.7000112R137 Q138 Q139 R144 R145R137-F141 VanDerWaalsContact O-CB 3.28Å; R137-F141 WeakPolarHBondContact O-CB 3.34Å; R137-F141 PolarHBondContact O-N 3.32Å; Q138-F141 PolarHBondContact O-N 2.89Å; Q139-F141 VanDerWaalsContact C-N 3.25Å; Q139-F141 PolarHBondContact O-N 3.44Å; F141-R144 PolarHBondContact O-N 2.84Å; F141-R145 HydrophobicContact CE1-CG 4.35Å; F141-R145 VanDerWaalsContact CE1-CZ 3.44Å; F141-R145 VanDerWaalsContact CZ-NE 3.28Å; F141-R145 PolarHBondContact O-N 3.44Å; F141-R145 VanDerWaalsContact O-N 3.1Å
142N71.4Confident67.4Low99 Ų99132.2 Ų132.253%0.52962%0.619SS.*Hα-helixtrans-67.8-42.7176.5-69.1-13.3000111.5Q138 Q139 R144 R145 N146Q138-N142 WeakPolarHBondContact O-CB 3.26Å; Q138-N142 PolarHBondContact O-N 2.94Å; Q138-N142 PolarHBondContact O-ND2 3.02Å; Q138-N142 PolarHBondContact O-OD1 3.33Å; Q139-N142 PolarHBondContact O-N 2.94Å; Q139-N142 VanDerWaalsContact O-N 3.1Å; N142-R144 VanDerWaalsContact C-N 3.32Å; N142-R144 PolarHBondContact O-N 3.14Å; N142-R145 PolarHBondContact O-N 3.48Å; N142-R145 VanDerWaalsContact O-N 3.1Å; N142-N146 PolarHBondContact O-N 3.06Å
143E68.9Low65.5Low121 Ų121130.3 Ų130.357%0.56562%0.619SS**Hα-helixtrans-57.6-44.6173.4-74.2171.8-173.700111.3Q139 R145 N146 I147Q139-E143 WeakPolarHBondContact O-CG 3.38Å; Q139-E143 PolarHBondContact O-N 3.08Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.21Å; E143-N146 PolarHBondContact O-N 2.99Å; E143-N146 VanDerWaalsContact O-N 3.11Å; E143-I147 PolarHBondContact O-N 3.46Å
144R64Low63.4Low195 Ų195130.8 Ų130.874%0.73663%0.634SS**Hα-helixtrans-65.6-27.2176.2-75.4178.7179.8-145.8-1114.2L140 F141 N142L140-R144 WeakPolarHBondContact O-CB 3.38Å; L140-R144 VanDerWaalsContact O-CG 3.27Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.12Å; L140-R144 VanDerWaalsContact O-N 3.14Å; F141-R144 PolarHBondContact O-N 2.84Å; N142-R144 VanDerWaalsContact C-N 3.32Å; N142-R144 PolarHBondContact O-N 3.14Å
145R61.7Low61.6Low183 Ų183132.5 Ų132.569%0.69164%0.642SS**Hα-helixtrans-77.9-25.2173.1-78.7-170.3172.2-165.7-0.2112.7F141 N142 E143 I147F141-R145 HydrophobicContact CE1-CG 4.35Å; F141-R145 VanDerWaalsContact CE1-CZ 3.44Å; F141-R145 VanDerWaalsContact CZ-NE 3.28Å; F141-R145 PolarHBondContact O-N 3.44Å; F141-R145 VanDerWaalsContact O-N 3.1Å; N142-R145 PolarHBondContact O-N 3.48Å; N142-R145 VanDerWaalsContact O-N 3.1Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.21Å; R145-I147 VanDerWaalsContact C-N 3.33Å
146N59.4Low59.7Low150 Ų150136.7 Ų136.780%0.80266%0.66SS**Hα-helixtrans-80.9-14.9175.5-119.110.5000113.1N142 E143 Q148N142-N146 PolarHBondContact O-N 3.06Å; E143-N146 PolarHBondContact O-N 2.99Å; E143-N146 VanDerWaalsContact O-N 3.11Å; N146-Q148 PolarHBondContact O-N 3.46Å; N146-Q148 VanDerWaalsContact O-N 3.17Å
147I53.7Low57.8Low120 Ų120144.4 Ų144.462%0.61569%0.685SS**SBendtrans-74.6104163.7-57.3169.5000105.9E143 R145E143-I147 PolarHBondContact O-N 3.46Å; R145-I147 VanDerWaalsContact C-N 3.33Å
148Q49.7Very low56.3Low161 Ų161147.7 Ų147.775%0.75270%0.698SS**  trans-43.6136.4170.6-77.2-169.6-0.400109N146 T150N146-Q148 PolarHBondContact O-N 3.46Å; N146-Q148 VanDerWaalsContact O-N 3.17Å; Q148-T150 PolarHBondContact O-N 2.99Å
149P50.3Low55.1Low124 Ų124147.9 Ų147.981%0.80571%0.71SS**  trans-62.297.5169.426.7-30.6000106.4S151P149-S151 PolarHBondContact O-N 3.48Å
150T47.8Very low53.6Low126 Ų126148 Ų14877%0.77372%0.722SS**  trans-49.711416232.90000104.8Q148 R152Q148-T150 PolarHBondContact O-N 2.99Å; T150-R152 PolarHBondContact O-N 3.45Å
151S41Very low51.8Low107 Ų107154.9 Ų154.975%0.74874%0.741SS**  trans-40.4103.9-17438.20000108.6P149 I153P149-S151 PolarHBondContact O-N 3.48Å; S151-I153 VanDerWaalsContact C-N 3.3Å; S151-I153 PolarHBondContact O-N 3.27Å
152R44.8Very low50.3Low235 Ų235161 Ų16189%0.88776%0.761SS**  trans-57.5108.8161.7-101.4-178.3169-176.2-3.1103.7T150 A154T150-R152 PolarHBondContact O-N 3.45Å; R152-A154 PolarHBondContact O-N 3.42Å
153I42.9Very low49.2Very low123 Ų123167.4 Ų167.463%0.63178%0.778SS**  trans-48.196.6163.3-63.9170.3000105S151 Y155S151-I153 VanDerWaalsContact C-N 3.3Å; S151-I153 PolarHBondContact O-N 3.27Å; I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 HydrophobicContact CG2-CD1 4.29Å; I153-Y155 HydrophobicContact CG2-CE1 3.97Å; I153-Y155 WeakPolarHBondContact O-CD2 3.45Å; I153-Y155 PolarHBondContact O-N 3.23Å
154A40.4Very low47.8Very low86 Ų86167.5 Ų167.571%0.71179%0.792SS**  trans-75.794.5175.700000103.9R152 E156R152-A154 PolarHBondContact O-N 3.42Å; A154-E156 VanDerWaalsContact C-N 3.33Å; A154-E156 PolarHBondContact O-N 2.93Å
155Y44.5Very low46.7Very low192 Ų192162.5 Ų162.575%0.75379%0.792SS**  trans-53.7107.6164-52.4-81.2000106.3I153 R157I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 HydrophobicContact CG2-CD1 4.29Å; I153-Y155 HydrophobicContact CG2-CE1 3.97Å; I153-Y155 WeakPolarHBondContact O-CD2 3.45Å; I153-Y155 PolarHBondContact O-N 3.23Å; Y155-R157 PolarHBondContact O-N 2.96Å
156E40.2Very low45.7Very low180 Ų180160 Ų16084%0.84180%0.8SS**  trans-47.8104.2174.2-77.4-179.3139.100108.1A154 R158A154-E156 VanDerWaalsContact C-N 3.33Å; A154-E156 PolarHBondContact O-N 2.93Å; E156-R158 PolarHBondContact O-N 3.03Å
157R44Very low45Very low242 Ų242157.5 Ų157.591%0.91380%0.8SS**  trans-6991.4166.7-67.7-178.292-167.17.6105.8Y155Y155-R157 PolarHBondContact O-N 2.96Å
158R46.1Very low44.2Very low225 Ų225157.2 Ų157.285%0.84981%0.808SS**  trans-45.8126.7169.4-77.8-175.4169.6-168.2-3.2109.2E156 S160E156-R158 PolarHBondContact O-N 3.03Å; R158-S160 PolarHBondContact O-N 2.93Å
159P53.5Low43.7Very low128 Ų128156 Ų15683%0.83181%0.812SS**  trans-65.6114.1174.420.9-24.1000108.8R161P159-R161 PolarHBondContact O-N 2.9Å; P159-R161 VanDerWaalsContact O-N 3.12Å
160S47.7Very low43.1Very low107 Ų107156.9 Ų156.975%0.74882%0.815SS**  trans-52.7112.6171.8158.30000110.5R158 R162R158-S160 PolarHBondContact O-N 2.93Å; S160-R162 PolarHBondContact O-N 3.33Å
161R40.3Very low42.6Very low243 Ų243154 Ų15492%0.91781%0.81SS**  trans-17.6108.7157.5-77.2173.3164.7167.6-5.9113.9P159P159-R161 PolarHBondContact O-N 2.9Å; P159-R161 VanDerWaalsContact O-N 3.12Å
162R45Very low42.5Very low233 Ų233154.9 Ų154.988%0.87982%0.817SS**  trans-134.695.8148.8-72.2-168.5174.9-147.8-0.4105.3S160S160-R162 PolarHBondContact O-N 3.33Å
163R46.9Very low42.2Very low235 Ų235156 Ų15689%0.88782%0.821SS**  63.8120.4104.5-83.6-170.6-179.3-168.5-0.2112.8
164S40.9Very low42Very low123 Ų123153.7 Ų153.786%0.8683%0.827SS**  trans79.7118.6161-36.90000113.7
165A40.9Very low41.9Very low89 Ų89154.1 Ų154.174%0.73683%0.83SS**  cis-155.3158.931.300000110.9
166P39.6Very low41.4Very low131 Ų131156.6 Ų156.685%0.85184%0.84SS**  trans-87.9117165.233.2-23.5000108.6
167A44.8Very low41.3Very low98 Ų98153.3 Ų153.381%0.8184%0.837SS**  trans-126.996.8160.800000107.1
168S36.1Very low41.4Very low113 Ų113147.2 Ų147.279%0.7983%0.827SS**  trans-49.4131.9160.344.70000110.2
169T40.4Very low41.3Very low137 Ų137142 Ų14284%0.8482%0.823SS**  -166.5127.5124.4-63.30000108.3
170V37Very low40.7Very low141 Ų141143.7 Ų143.786%0.85582%0.819SS**  trans-69.3139.2177.9166.10000110.2
171G37.3Very low40.3Very low65 Ų65145.2 Ų145.267%0.6782%0.824SS**  trans91.397.3157.700000115.1
172S39.8Very low40.4Very low127 Ų127139.1 Ų139.189%0.88881%0.814SS**  trans-166.4124.8131-860000110.2
173R37.2Very low39.9Very low258 Ų258131.1 Ų131.197%0.97480%0.804SS**  trans-57.3130173.1-67.1168173.9172.7-3.5109.2
174G39.3Very low39.5Very low74 Ų74131.2 Ų131.276%0.76380%0.804SS**  trans-155113.6172.300000108.9
175A38.3Very low39.6Very low95 Ų95129.4 Ų129.479%0.78579%0.792SS**  trans-55.7148.5-167.900000114.6S177A175-S177 PolarHBondContact O-N 3.06Å; A175-S177 VanDerWaalsContact O-N 3.14Å
176Y33.7Very low39.5Very low244 Ų244136.5 Ų136.596%0.95780%0.8SS**  trans-52.2114.4161.3-64.8-87.2000109.7
177S38.3Very low39.6Very low111 Ų111138.7 Ų138.778%0.77680%0.799SS**  trans-139.8119.1160.2-172.70000108.4A175A175-S177 PolarHBondContact O-N 3.06Å; A175-S177 VanDerWaalsContact O-N 3.14Å
178T46.4Very low39.5Very low114 Ų114139.3 Ų139.370%0.69980%0.797SS**  trans-57.9137-17150.40000112.6Q180T178-Q180 PolarHBondContact O-N 3.12Å
179P43.7Very low39.6Very low117 Ų117141.8 Ų141.876%0.7680%0.796SS**  trans-72.9103.5161.829.9-27.4000107.4V181P179-V181 PolarHBondContact O-N 2.96Å
180Q40.8Very low39.8Very low162 Ų162144.7 Ų144.776%0.75780%0.8SS**  trans-55.2107157.6-78.6-172.1-30.300107.4T178 T182T178-Q180 PolarHBondContact O-N 3.12Å; Q180-T182 PolarHBondContact O-N 3.01Å
181V40.7Very low40Very low140 Ų140146.8 Ų146.885%0.84880%0.8SS**  trans-75.177.7166.2179.70000106.5P179 G183P179-V181 PolarHBondContact O-N 2.96Å; V181-G183 PolarHBondContact O-N 3.04Å
182T40.5Very low40.2Very low114 Ų114147.4 Ų147.470%0.69980%0.795SS**  trans-73.9108.6173.4-56.40000108.6Q180Q180-T182 PolarHBondContact O-N 3.01Å
183G34.6Very low40.3Very low66 Ų66150.6 Ų150.668%0.6880%0.795SS**  trans50.277.4144.600000117.9V181 S185V181-G183 PolarHBondContact O-N 3.04Å; G183-S185 PolarHBondContact O-N 3.28Å
184R39.4Very low40.3Very low237 Ų237143.1 Ų143.189%0.89478%0.782SS**  trans-8396.9150.1-76.8-174.7-171.7-108.1-0.2108.6W186R184-W186 PolarHBondContact O-N 2.78Å
185S43.5Very low40.4Very low85 Ų85147 Ų14759%0.59478%0.778SS**  trans-65.5122.6166.848.40000109.6G183 Q187G183-S185 PolarHBondContact O-N 3.28Å; S185-Q187 PolarHBondContact O-N 3.05Å
186W38.6Very low40.6Very low238 Ų238149.8 Ų149.890%0.90278%0.775SS**SBendtrans-75.244.5174.6-90.987.7000112.3R184R184-W186 PolarHBondContact O-N 2.78Å
187Q41.6Very low40.8Very low177 Ų177150 Ų15083%0.82777%0.774SS**  trans-115.89.2-169.5-86.9174.9-15.600115.6S185S185-Q187 PolarHBondContact O-N 3.05Å
188S42.4Very low41.2Very low110 Ų110155.4 Ų155.477%0.76978%0.778SS**SBendtrans-13463.3-179.151.10000113
189E38.9Very low41.1Very low165 Ų165155.1 Ų155.177%0.77178%0.778SS**SBendtrans-144.211.5168.3-126.4173.1-162.900115.2
190Q43.4Very low41.2Very low199 Ų199160 Ų16093%0.9378%0.781SS**SBendtrans-102.44.2175.1-79.6-164.8-15.100115.1
191Q41.1Very low41.5Very low185 Ų185161.2 Ų161.286%0.86478%0.778SS**SBendtrans-117.359.1-177.3-72.2-176-15.900112.4
192S41.6Very low41.5Very low78 Ų78164.5 Ų164.555%0.54578%0.776SS.*  trans179.856.9160.526.80000113.4
193H42.6Very low41.5Very low193 Ų193163.9 Ų163.989%0.89478%0.776SS**  trans-108.645.3156.8-74-29.6000111.1F195H193-F195 VanDerWaalsContact C-N 3.28Å
194S37.9Very low41.9Very low101 Ų101169.4 Ų169.471%0.70679%0.789SS**  trans-92.656.7158.246.80000109.3
195F41.2Very low42.1Very low155 Ų155166 Ų16668%0.6878%0.783SS**  trans-130.1118.2171-76.2-74.9000111.2H193H193-F195 VanDerWaalsContact C-N 3.28Å
196Q42.2Very low41.8Very low154 Ų154168.8 Ų168.872%0.7280%0.796SS**  trans76.583.1150.6-63.3172-3.300116.5R198Q196-R198 PolarHBondContact O-N 2.96Å
197R38.4Very low41.9Very low248 Ų248165.6 Ų165.694%0.93680%0.796SS**  trans-32.6107.6136.3-66.6179.3169.8-160-2.6110.2P199R197-P199 WeakPolarHBondContact O-CD 3.37Å
198R46.5Very low41.7Very low226 Ų226160.1 Ų160.185%0.85379%0.788SS**  trans-102.3103.5159.6-76.8-170.8175.9-152.70.2108.7Q196Q196-R198 PolarHBondContact O-N 2.96Å
199P44.4Very low41.4Very low108 Ų108160 Ų16070%0.70179%0.787SS**  trans-95.3100.8162.632.7-21.7000107.3R197R197-P199 WeakPolarHBondContact O-CD 3.37Å
200R45.1Very low41.8Very low218 Ų218158.3 Ų158.382%0.82379%0.79SS**  trans-177.3105.5167.2-107.9155.7-173.8-159.92.6112.3
201R47.6Very low41.8Very low188 Ų188157.4 Ų157.471%0.70979%0.786SS**  158.5121.295.8-93.3171177.2-156.1-0.3112.8
202R40.9Very low41.7Very low209 Ų209151.8 Ų151.879%0.78978%0.777SS**  trans75104.7136.6-64.1-179.7175-171.4-3.7118.4
203S39.7Very low41.5Very low102 Ų102160.4 Ų160.471%0.71380%0.798SS**  trans-52.9124.1142.440.40000110.3Q205S203-Q205 VanDerWaalsContact C-N 3.32Å; S203-Q205 PolarHBondContact O-N 2.98Å; S203-Q205 VanDerWaalsContact O-N 3.08Å
204L43Very low41.1Very low181 Ų181162.8 Ų162.895%0.94880%0.799SS**  trans-7295.4159.1-87.1161.2000107.3
205Q43.6Very low41.3Very low166 Ų166164.3 Ų164.378%0.77680%0.804SS**  trans-71.1144.8157.8-78.5174.5-17.900109S203 L207S203-Q205 VanDerWaalsContact C-N 3.32Å; S203-Q205 PolarHBondContact O-N 2.98Å; S203-Q205 VanDerWaalsContact O-N 3.08Å; Q205-L207 PolarHBondContact O-N 3.11Å
206V37.4Very low41.1Very low143 Ų143161.1 Ų161.187%0.86780%0.801SS**  trans-42.5122.8166.9176.40000111.5
207L41.1Very low40.8Very low171 Ų171163.1 Ų163.190%0.89581%0.808SS**  trans-150.2111.8159.9-142.273.4000104.5Q205Q205-L207 PolarHBondContact O-N 3.11Å
208G36.7Very low40.8Very low63 Ų63162.6 Ų162.665%0.64981%0.806SS**  88.21037700000107.9
209S36.9Very low40.3Very low107 Ų107155.4 Ų155.475%0.74880%0.802SS**  trans-44.9141.1177.4-3.10000113.8
210P47.3Very low40Very low129 Ų129154.3 Ų154.384%0.83880%0.802SS**  trans-99.8103152.528.8-17000109.3
211Q43.6Very low39.8Very low181 Ų181152 Ų15285%0.84681%0.805SS**  trans-63130.5163.2-142.5124.7-21.100109.3
212G37.8Very low39.4Very low67 Ų67146.7 Ų146.769%0.69180%0.797SS**  trans68.7115.2145.400000119.1
213R38Very low39.4Very low258 Ų258147.5 Ų147.597%0.97480%0.8SS**  -168122.5122.1-102.2165.6-171-134.72.7110.5
214R33.4Very low39.3Very low243 Ų243150.1 Ų150.192%0.91781%0.806SS**  trans-80.1142.4174.8-58.1165.393.7-158.28.7109.1
215T42.2Very low39.1Very low134 Ų134148.5 Ų148.582%0.82280%0.804SS**  trans-174.9102.6149.240.70000105.3
216S37.1Very low38.7Very low87 Ų87145.3 Ų145.361%0.60880%0.799SS**  84.81216374.80000114.3
217F36.6Very low39Very low196 Ų196145 Ų14586%0.8679%0.793SS**  trans72.4142.7165.4-53.6-78.9000115.8
218R37.2Very low39Very low238 Ų238146.5 Ų146.590%0.89879%0.786SS**  cis-172.6144.531.5-163.6175.7-146.2-122.31.6109.8
219G36.4Very low39.1Very low75 Ų75149.1 Ų149.177%0.77379%0.785SS**  trans75.1147154.400000116.7
220A39.2Very low39.2Very low84 Ų84150.4 Ų150.469%0.69478%0.784SS**  cis-170.5162.47.800000109.2
221L41.2Very low38.8Very low170 Ų170149.7 Ų149.789%0.8978%0.777SS**  trans77.8137157.9-49.6169.1000116.7
222S38.9Very low38.5Very low77 Ų77150 Ų15054%0.53878%0.776SS.*  cis178.6134.1-21600000108.6
223R39.4Very low38.6Very low226 Ų226153.2 Ų153.285%0.85378%0.782SS**  trans66.2109.2150.8-62.8169.9-143.5-149.12.5119
224N37.4Very low38.8Very low156 Ų156151.4 Ų151.483%0.83478%0.775SS**  70.6105.183.6-94.1-18000114.9
225T39.6Very low39.1Very low148 Ų148147.8 Ų147.891%0.90877%0.774SS**  trans-153.9111.1136.532.30000109.8
226S36Very low39.1Very low98 Ų98149.6 Ų149.669%0.68577%0.773SS**  trans-61.2156.6166.845.90000112.7
227L43.1Very low39.1Very low138 Ų138156.1 Ų156.172%0.72378%0.784SS**  158.8120.9116.2-78.7167.2000112.1
228R41.2Very low39Very low202 Ų202159.2 Ų159.276%0.76279%0.791SS**  82.4109.2129.9-68.9179.9178.6-155.53.2121.1
229N38.9Very low39.1Very low117 Ų117151.1 Ų151.163%0.62678%0.781SS**  90.5114.2115.5-66.5-7.9000120.6
230N38.4Very low39.2Very low135 Ų135155.9 Ų155.972%0.72278%0.783SS**  63.1143.5127.3-49.3-24.3000117.1
231T39Very low39Very low113 Ų113162.7 Ų162.769%0.69379%0.791SS**  cis-176.5134.737.5-34.10000106.1
232F37.7Very low39Very low189 Ų189160.6 Ų160.683%0.82979%0.785SS**  trans31.4138.5140.8-58.2-107.9000119.9
233V40.5Very low38.7Very low134 Ų134163.4 Ų163.481%0.81279%0.794SS**  -175.9144.675.3162.20000109.9
234R40.4Very low38.4Very low219 Ų219161.8 Ų161.883%0.82679%0.794SS**  trans-50.4144.8169.9-67.6160-175.9174.12114
235N39.8Very low38.5Very low168 Ų168166.1 Ų166.190%0.89880%0.798SS**  -158.8116.2128.6-95.8-25.9000110.3
236Q43.1Very low38.7Very low172 Ų172163.8 Ų163.880%0.80479%0.788SS**  trans-83172.4174.1-64.6178.1-6.900110.2
237R37.7Very low38.9Very low223 Ų223167.3 Ų167.384%0.84280%0.799SS**  trans83.682.4159.2-65.5-179.4160.8-145.6-3118.2
238W34Very low38.8Very low262 Ų262165.4 Ų165.499%0.99280%0.798SS**  -153100.7127.5-77.991.8000104
239G39.1Very low38.8Very low67 Ų67168 Ų16869%0.69181%0.807SS**  cis88.373.646.100000108.8
240Q39.5Very low38.8Very low175 Ų175166 Ų16682%0.81882%0.815SS**  trans28113.7158.3-59.4-166.9-7.500118.6
241R33.2Very low39.2Very low227 Ų227166.8 Ų166.886%0.85781%0.814SS**  154.8147.3128.4-83.1158.2174.9-120.1-2.1108.9
242T42.4Very low39.1Very low126 Ų126168.9 Ų168.977%0.77382%0.816SS**  trans92.296169.176.70000117.2
243N31.7Very low39.2Very low137 Ų137171.7 Ų171.773%0.73382%0.821SS**  58120118.1-65.4-16.3000119.8
244F34.3Very low38.9Very low191 Ų191173.5 Ų173.584%0.83883%0.826SS**  trans58.494.9155-57.9-72.8000117.2
245R38.4Very low38.9Very low247 Ų247165.6 Ų165.693%0.93281%0.813SS**  trans-153.598.8146.1-111.2165.7-163.1-150.14.4110.7
246S44.1Very low38.9Very low100 Ų100168.8 Ų168.870%0.69982%0.815SS**  trans-57.3135.2164.742.40000110.1S248S246-S248 VanDerWaalsContact C-N 3.34Å; S246-S248 PolarHBondContact O-N 3.46Å; S246-S248 PolarHBondContact O-OG 3.01Å
247N40.4Very low38.7Very low172 Ų172166.8 Ų166.892%0.9281%0.814SS**  trans-57.694.8170.7-80.4-31.8000110.3
248S40.7Very low39Very low98 Ų98163 Ų16369%0.68581%0.81SS**  trans-113.285.7170.1-53.70000107.8S246S246-S248 VanDerWaalsContact C-N 3.34Å; S246-S248 PolarHBondContact O-N 3.46Å; S246-S248 PolarHBondContact O-OG 3.01Å
249R41.9Very low39.4Very low255 Ų255156.1 Ų156.196%0.96280%0.797SS**  trans-119.9100.4163.7-80.3-172.9178.8172.70107.6
250G39.4Very low39.5Very low77 Ų77156.8 Ų156.879%0.79480%0.796SS**SBendtrans158.362.4-177.400000110.9
251Q45Very low39.9Very low150 Ų150154.7 Ų154.770%0.70180%0.795SS**  trans-60.1125.6-168.3-71.9-89.411.100114.4
252Q37Very low40.3Very low158 Ų158146.6 Ų146.674%0.73878%0.783SS**  trans63.494.2131.2-64.7178.4500120.6
253R40.1Very low40.5Very low248 Ų248148.7 Ų148.794%0.93678%0.776SS**  -135.9118.2129-82.6-167.8173.4-158.6-1.5109.5G255R253-G255 PolarHBondContact O-N 2.93Å
254N34.2Very low41.4Very low171 Ų171146.8 Ų146.891%0.91477%0.771SS**  trans-56.398.8176.8-72.1-38000111
255G40.2Very low42.3Very low54 Ų54142.7 Ų142.756%0.55776%0.758SS**  trans-130.3113.5171.200000108.2R253 T257R253-G255 PolarHBondContact O-N 2.93Å; G255-T257 VanDerWaalsContact C-N 3.27Å; G255-T257 PolarHBondContact O-N 3.24Å
256Y39.8Very low43.2Very low235 Ų235133.8 Ų133.892%0.92273%0.734SS**  trans-59.588.3171.9-67.7-91.8000109.8L258Y256-L258 PolarHBondContact O-N 2.87Å
257T40.4Very low43.9Very low129 Ų129138.6 Ų138.679%0.79174%0.736SS**  trans-79.898.2165.549.20000107.4G255 T259G255-T257 VanDerWaalsContact C-N 3.27Å; G255-T257 PolarHBondContact O-N 3.24Å; T257-T259 PolarHBondContact O-N 3.37Å
258L43.1Very low45Very low143 Ų143133 Ų13375%0.74972%0.715SS**  trans-57.3105.9166.6-85.1155.6000108.4Y256 A260Y256-L258 PolarHBondContact O-N 2.87Å; L258-A260 PolarHBondContact O-N 3.2Å
259T41.8Very low46.3Very low118 Ų118135.2 Ų135.272%0.72471%0.708SS**  trans-48.4126.5169.417.60000110.1T257 T261T257-T259 PolarHBondContact O-N 3.37Å; T259-T261 PolarHBondContact O-N 3.47Å
260A42.9Very low47.9Very low81 Ų81127.8 Ų127.867%0.66969%0.687SS**SBendtrans-78.947.6-171.400000113.2L258L258-A260 PolarHBondContact O-N 3.2Å
261T47.7Very low49.6Very low132 Ų132127 Ų12781%0.8167%0.673SS**  trans-110.927-171.444.10000114.7T259T259-T261 PolarHBondContact O-N 3.47Å
262G41.5Very low51.2Low57 Ų57125.3 Ų125.359%0.58867%0.665SS**SBendtrans-148.421.618000000117.4
263R46.1Very low53.2Low170 Ų170124.9 Ų124.964%0.64266%0.658SS**  trans-110.323.9-157.8-72.6-172.8173.3-179.2-0.6120.5
264P50.5Low55.3Low97 Ų97117.8 Ų117.863%0.6364%0.638SS**SBendtrans-97.6-36.4162.728.9-24.9000113.8S266P264-S266 PolarHBondContact O-N 3.28Å
265N53Low57.6Low104 Ų104112.3 Ų112.356%0.55662%0.616SS**Hα-helixtrans-77.2-14.5-170.6-71.6-8000115.4R269N265-R269 PolarHBondContact O-NE 2.86Å; N265-R269 VanDerWaalsContact O-NE 3.16Å
266S58Low59.7Low60 Ų60115.3 Ų115.342%0.4262%0.616SS.*Hα-helixtrans-86.7-28.5178.655.40000113P264 N270P264-S266 PolarHBondContact O-N 3.28Å; S266-N270 VanDerWaalsContact O-CB 3.27Å; S266-N270 WeakPolarHBondContact O-CB 3.43Å; S266-N270 PolarHBondContact O-N 2.99Å
267R57.8Low61.7Low201 Ų201106.2 Ų106.276%0.75859%0.59SS**Hα-helixtrans-72.7-45.2176.9-76.7-175.1177-177-0.1111.7N270 A271R267-N270 PolarHBondContact O-N 3.39Å; R267-A271 WeakPolarHBondContact O-CB 3.23Å; R267-A271 PolarHBondContact O-N 3.5Å
268A64.8Low63.8Low56 Ų56108.4 Ų108.446%0.46358%0.583SS.*Hα-helixtrans-60.3-48.9176.100000111.3N270 A271 E272A268-N270 PolarHBondContact O-N 2.95Å; A268-A271 WeakPolarHBondContact O-CB 3.44Å; A268-A271 PolarHBondContact O-N 3.25Å; A268-A271 VanDerWaalsContact O-N 3.12Å; A268-E272 WeakPolarHBondContact O-CG 3.44Å; A268-E272 PolarHBondContact O-N 3.34Å
269R67.8Low65.7Low143 Ų143104.1 Ų104.154%0.5457%0.568SS.*Hα-helixtrans-61.9-40.6175.6-78.8-173.1-101.5-174-14.2113.2N265 A271 E272 Y273N265-R269 PolarHBondContact O-NE 2.86Å; N265-R269 VanDerWaalsContact O-NE 3.16Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 3.02Å; R269-E272 PolarHBondContact O-N 2.96Å; R269-Y273 HydrophobicContact CB-CE2 4.46Å; R269-Y273 WeakPolarHBondContact O-CD2 3.43Å; R269-Y273 PolarHBondContact O-N 3.32Å
270N74.5Confident67.8Low100 Ų100103.9 Ų103.954%0.53556%0.562SS.*Hα-helixtrans-65.7-34.7174.3-93.4-14.1000112.6S266 R267 A268 Y273 L274S266-N270 VanDerWaalsContact O-CB 3.27Å; S266-N270 WeakPolarHBondContact O-CB 3.43Å; S266-N270 PolarHBondContact O-N 2.99Å; R267-N270 PolarHBondContact O-N 3.39Å; A268-N270 PolarHBondContact O-N 2.95Å; N270-Y273 PolarHBondContact O-N 3.27Å; N270-L274 WeakPolarHBondContact O-CB 3.49Å; N270-L274 VanDerWaalsContact O-CG 3.26Å; N270-L274 WeakPolarHBondContact O-CG 3.24Å; N270-L274 PolarHBondContact O-N 3.37Å
271A76.6Confident69.4Low60 Ų60104.6 Ų104.650%0.49655%0.554SS.*Hα-helixtrans-66.1-41.5174.400000111.2R267 A268 R269 L274 A275R267-A271 WeakPolarHBondContact O-CB 3.23Å; R267-A271 PolarHBondContact O-N 3.5Å; A268-A271 WeakPolarHBondContact O-CB 3.44Å; A268-A271 PolarHBondContact O-N 3.25Å; A268-A271 VanDerWaalsContact O-N 3.12Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 3.02Å; A271-L274 PolarHBondContact O-N 2.96Å; A271-A275 WeakPolarHBondContact O-CB 3.49Å; A271-A275 PolarHBondContact O-N 2.94Å
272E78.2Confident70.9Confident115 Ų115104.1 Ų104.154%0.53754%0.542SS..Hα-helixtrans-62.3-46173.4-71.6171.5-175.600111.9A268 R269 L274 A275 Q276A268-E272 WeakPolarHBondContact O-CG 3.44Å; A268-E272 PolarHBondContact O-N 3.34Å; R269-E272 PolarHBondContact O-N 2.96Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 3.01Å; E272-A275 PolarHBondContact O-N 2.77Å; E272-Q276 WeakPolarHBondContact O-CG 3.31Å; E272-Q276 PolarHBondContact O-N 2.86Å
273Y78Confident72.6Confident148 Ų148103.5 Ų103.558%0.5853%0.531SS*.Hα-helixtrans-62.2-40.2175.8-78.3-60.3000112.3R269 N270 Q276 A277R269-Y273 HydrophobicContact CB-CE2 4.46Å; R269-Y273 WeakPolarHBondContact O-CD2 3.43Å; R269-Y273 PolarHBondContact O-N 3.32Å; N270-Y273 PolarHBondContact O-N 3.27Å; Y273-Q276 PolarHBondContact O-N 3.43Å; Y273-A277 WeakPolarHBondContact O-CB 3.45Å; Y273-A277 PolarHBondContact O-N 2.92Å
274L85Confident74.1Confident100 Ų100101.4 Ų101.452%0.52453%0.529SS..Hα-helixtrans-67.9-36.9175.4-75.4169.3000112N270 A271 E272 A277 R278N270-L274 WeakPolarHBondContact O-CB 3.49Å; N270-L274 VanDerWaalsContact O-CG 3.26Å; N270-L274 WeakPolarHBondContact O-CG 3.24Å; N270-L274 PolarHBondContact O-N 3.37Å; A271-L274 PolarHBondContact O-N 2.96Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 3.01Å; L274-A277 PolarHBondContact O-N 3.42Å; L274-R278 WeakPolarHBondContact O-CB 3.43Å; L274-R278 VanDerWaalsContact O-CG 3.26Å; L274-R278 WeakPolarHBondContact O-CG 3.4Å; L274-R278 PolarHBondContact O-N 2.95Å
275A82.4Confident75.3Confident55 Ų55101.4 Ų101.446%0.45552%0.523SS..Hα-helixtrans-65.8-44.217500000111.3A271 E272 A277 R278 A279A271-A275 WeakPolarHBondContact O-CB 3.49Å; A271-A275 PolarHBondContact O-N 2.94Å; E272-A275 PolarHBondContact O-N 2.77Å; A275-A277 PolarHBondContact O-N 2.96Å; A275-R278 PolarHBondContact O-N 2.93Å; A275-A279 WeakPolarHBondContact O-CB 3.4Å; A275-A279 PolarHBondContact O-N 2.72Å
276Q84.7Confident76.3Confident117 Ų117101.7 Ų101.755%0.54752%0.522SS..Hα-helixtrans-62.1-42.4174.5-72.417613.600112E272 Y273 R278 A279 L280E272-Q276 WeakPolarHBondContact O-CG 3.31Å; E272-Q276 PolarHBondContact O-N 2.86Å; Y273-Q276 PolarHBondContact O-N 3.43Å; Q276-R278 PolarHBondContact O-N 3.32Å; Q276-A279 PolarHBondContact O-N 2.87Å; Q276-L280 PolarHBondContact O-N 3.14Å
277A81.2Confident76.8Confident45 Ų45103 Ų10337%0.37252%0.524SS..Hα-helixtrans-63.4-40.2176.200000112.1Y273 L274 A275 L280 I281Y273-A277 WeakPolarHBondContact O-CB 3.45Å; Y273-A277 PolarHBondContact O-N 2.92Å; L274-A277 PolarHBondContact O-N 3.42Å; A275-A277 PolarHBondContact O-N 2.96Å; A277-L280 PolarHBondContact O-N 3.1Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-N 3.13Å
278R84.5Confident76.9Confident175 Ų17595.9 Ų95.966%0.6651%0.508SS*.Hα-helixtrans-65.6-42.4175.4-74.6171.9-179.9178.7-0.1112.1L274 A275 Q276 L280 I281 Q282L274-R278 WeakPolarHBondContact O-CB 3.43Å; L274-R278 VanDerWaalsContact O-CG 3.26Å; L274-R278 WeakPolarHBondContact O-CG 3.4Å; L274-R278 PolarHBondContact O-N 2.95Å; A275-R278 PolarHBondContact O-N 2.93Å; Q276-R278 PolarHBondContact O-N 3.32Å; R278-L280 PolarHBondContact O-N 3.48Å; R278-I281 PolarHBondContact O-N 3.03Å; R278-Q282 WeakPolarHBondContact O-CG 3.39Å; R278-Q282 PolarHBondContact O-N 2.87Å
279A82.2Confident76.8Confident52 Ų5299.1 Ų99.143%0.4351%0.514SS..Hα-helixtrans-63-40.2176.900000112.1A275 Q276 Q282 A283A275-A279 WeakPolarHBondContact O-CB 3.4Å; A275-A279 PolarHBondContact O-N 2.72Å; Q276-A279 PolarHBondContact O-N 2.87Å; A279-Q282 PolarHBondContact O-N 3.1Å; A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.43Å
280L85.7Confident76.2Confident114 Ų114100.6 Ų100.660%0.59752%0.519SS*.Hα-helixtrans-62.4-42.5174.2-91.4160.5000112.5Q276 A277 R278 Q282 A283 Q284Q276-L280 PolarHBondContact O-N 3.14Å; A277-L280 PolarHBondContact O-N 3.1Å; R278-L280 PolarHBondContact O-N 3.48Å; L280-Q282 VanDerWaalsContact C-N 3.35Å; L280-A283 PolarHBondContact O-N 2.89Å; L280-Q284 WeakPolarHBondContact O-CB 3.49Å; L280-Q284 WeakPolarHBondContact O-CG 3.26Å; L280-Q284 PolarHBondContact O-N 3.26Å
281I78.4Confident75.2Confident96 Ų96104.4 Ų104.449%0.49253%0.527SS..Hα-helixtrans-65.1-39.8176.6-67.5166.2000110.8A277 R278 Q284 N285A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-N 3.13Å; R278-I281 PolarHBondContact O-N 3.03Å; I281-Q284 PolarHBondContact O-N 3.24Å; I281-N285 PolarHBondContact O-N 2.96Å; I281-N285 PolarHBondContact O-ND2 2.88Å
282Q78.3Confident73.9Confident122 Ų122105.9 Ų105.957%0.5753%0.527SS*.Hα-helixtrans-63.4-48.8175.3-76.3178.2-39.600111.7R278 A279 L280 Q284 N285 E286R278-Q282 WeakPolarHBondContact O-CG 3.39Å; R278-Q282 PolarHBondContact O-N 2.87Å; A279-Q282 PolarHBondContact O-N 3.1Å; L280-Q282 VanDerWaalsContact C-N 3.35Å; Q282-Q284 VanDerWaalsContact C-N 3.27Å; Q282-Q284 PolarHBondContact O-N 3.35Å; Q282-N285 PolarHBondContact O-N 2.87Å; Q282-N285 VanDerWaalsContact O-N 3.1Å; Q282-E286 WeakPolarHBondContact O-CG 3.26Å; Q282-E286 PolarHBondContact O-N 3.5Å
283A77.1Confident72.6Confident43 Ų43107.3 Ų107.336%0.35554%0.538SS..Hα-helixtrans-60.7-35.7177.500000112.7A279 L280 N287A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.43Å; L280-A283 PolarHBondContact O-N 2.89Å; A283-N287 WeakPolarHBondContact O-CB 3.27Å; A283-N287 PolarHBondContact O-N 3.49Å; A283-N287 PolarHBondContact O-ND2 3.09Å
284Q77.5Confident71.3Confident127 Ų127106.8 Ų106.859%0.59355%0.545SS*.Hα-helixtrans-66.4-42174-77-179.4-25.700112.4L280 I281 Q282 N287 A288L280-Q284 WeakPolarHBondContact O-CB 3.49Å; L280-Q284 WeakPolarHBondContact O-CG 3.26Å; L280-Q284 PolarHBondContact O-N 3.26Å; I281-Q284 PolarHBondContact O-N 3.24Å; Q282-Q284 VanDerWaalsContact C-N 3.27Å; Q282-Q284 PolarHBondContact O-N 3.35Å; Q284-N287 PolarHBondContact O-N 3.26Å; Q284-A288 WeakPolarHBondContact O-CB 3.37Å; Q284-A288 PolarHBondContact O-N 2.7Å
285N75.7Confident69.2Low96 Ų96105.7 Ų105.751%0.51354%0.54SS..Hα-helixtrans-67.5-37.9176.8-71.5-26.6000112.1I281 Q282 A288 Q289I281-N285 PolarHBondContact O-N 2.96Å; I281-N285 PolarHBondContact O-ND2 2.88Å; Q282-N285 PolarHBondContact O-N 2.87Å; Q282-N285 VanDerWaalsContact O-N 3.1Å; N285-A288 PolarHBondContact O-N 3.48Å; N285-Q289 WeakPolarHBondContact O-CG 3.48Å; N285-Q289 PolarHBondContact O-N 2.8Å
286E74.3Confident67.6Low111 Ų111109 Ų10952%0.51956%0.556SS.*Hα-helixtrans-64.5-41.4174.8-73.5173-167.100111.7Q282 Q289 R290Q282-E286 WeakPolarHBondContact O-CG 3.26Å; Q282-E286 PolarHBondContact O-N 3.5Å; E286-Q289 PolarHBondContact O-N 2.91Å; E286-R290 WeakPolarHBondContact O-CG 3.48Å; E286-R290 PolarHBondContact O-N 2.93Å
287N68.3Low65.7Low86 Ų86110.4 Ų110.446%0.4657%0.568SS.*Hα-helixtrans-65.6-40.7174.2-76.2-21.1000112A283 Q284 Q289 R290 Y291A283-N287 WeakPolarHBondContact O-CB 3.27Å; A283-N287 PolarHBondContact O-N 3.49Å; A283-N287 PolarHBondContact O-ND2 3.09Å; Q284-N287 PolarHBondContact O-N 3.26Å; N287-Q289 VanDerWaalsContact C-N 3.31Å; N287-Q289 PolarHBondContact O-N 2.74Å; N287-R290 PolarHBondContact O-N 3.09Å; N287-Y291 WeakPolarHBondContact O-CD2 3.44Å; N287-Y291 PolarHBondContact O-N 3.41Å; N287-Y291 VanDerWaalsContact O-N 3.16Å
288A60.7Low63.9Low53 Ų53111.8 Ų111.844%0.43857%0.571SS.*Hα-helixtrans-60.9-40.4175.700000111.9Q284 N285 R290 Y291 D292Q284-A288 WeakPolarHBondContact O-CB 3.37Å; Q284-A288 PolarHBondContact O-N 2.7Å; N285-A288 PolarHBondContact O-N 3.48Å; A288-R290 PolarHBondContact O-N 3.37Å; A288-Y291 PolarHBondContact O-N 3.02Å; A288-D292 PolarHBondContact O-N 2.93Å; A288-D292 VanDerWaalsContact O-N 3.15Å
289Q60.9Low61.8Low124 Ų124109 Ų10958%0.57958%0.579SS**Hα-helixtrans-65.4-36.3174.8-73.1179.5-8.700112.7N285 E286 N287 Y291 D292 L293N285-Q289 WeakPolarHBondContact O-CG 3.48Å; N285-Q289 PolarHBondContact O-N 2.8Å; E286-Q289 PolarHBondContact O-N 2.91Å; N287-Q289 VanDerWaalsContact C-N 3.31Å; N287-Q289 PolarHBondContact O-N 2.74Å; Q289-Y291 VanDerWaalsContact C-N 3.33Å; Q289-Y291 PolarHBondContact O-N 3.21Å; Q289-D292 PolarHBondContact O-N 3.11Å; Q289-L293 WeakPolarHBondContact O-CD1 3.28Å; Q289-L293 PolarHBondContact O-N 3.04Å
290R57.1Low59.9Low173 Ų173111.3 Ų111.365%0.65359%0.588SS**Hα-helixtrans-64.3-36.9175.8-72.6178-179.1-145.8-0.1112.4E286 N287 A288E286-R290 WeakPolarHBondContact O-CG 3.48Å; E286-R290 PolarHBondContact O-N 2.93Å; N287-R290 PolarHBondContact O-N 3.09Å; A288-R290 PolarHBondContact O-N 3.37Å
291Y52.7Low57.8Low180 Ų180116.2 Ų116.271%0.70660%0.598SS**Hα-helixtrans-77.1-19.5176.6-70.7-68.3000113.8N287 A288 Q289N287-Y291 WeakPolarHBondContact O-CD2 3.44Å; N287-Y291 PolarHBondContact O-N 3.41Å; N287-Y291 VanDerWaalsContact O-N 3.16Å; A288-Y291 PolarHBondContact O-N 3.02Å; Q289-Y291 VanDerWaalsContact C-N 3.33Å; Q289-Y291 PolarHBondContact O-N 3.21Å
292D49.8Very low56.2Low92 Ų92117 Ų11749%0.49260%0.603SS.*Hα-helixtrans-78.4-20173.5-91.4-16.2000113.2A288 Q289A288-D292 PolarHBondContact O-N 2.93Å; A288-D292 VanDerWaalsContact O-N 3.15Å; Q289-D292 PolarHBondContact O-N 3.11Å
293L51.2Low54.7Low145 Ų145115.7 Ų115.776%0.75961%0.606SS**Hα-helixtrans-82.6-22177.6-88.9100.1000114.1Q289Q289-L293 WeakPolarHBondContact O-CD1 3.28Å; Q289-L293 PolarHBondContact O-N 3.04Å
294D50.1Low53.2Low137 Ų137124.5 Ų124.573%0.73363%0.63SS**SBendtrans-933.2-175.5-70-21.7000113.6
295N40.2Very low51.5Low77 Ų77122.5 Ų122.541%0.41263%0.63SS.*  trans-138.897.4178.6-158.322.5000112.1N297 T298N295-N297 PolarHBondContact O-N 3.35Å; N295-T298 WeakPolarHBondContact ND2-CG2 3.46Å; N295-T298 PolarHBondContact ND2-OG1 3.1Å
296P49.5Very low49.7Very low124 Ų124128.7 Ų128.781%0.80565%0.648SS**THydrogen-bonded Turntrans-68.31.5-179.326.7-32.8000114.3
297N44.9Very low48Very low147 Ų147128 Ų12879%0.78666%0.655SS**THydrogen-bonded Turntrans-121.59.3-169.6-88.3-18.1000116.2N295N295-N297 PolarHBondContact O-N 3.35Å
298T43.5Very low46.8Very low73 Ų73127.4 Ų127.445%0.44866%0.662SS.*  trans-116.289173.241.70000110.8N295 V300N295-T298 WeakPolarHBondContact ND2-CG2 3.46Å; N295-T298 PolarHBondContact ND2-OG1 3.1Å; T298-V300 PolarHBondContact O-N 3.42Å
299S40.1Very low46Very low116 Ų116130.4 Ų130.481%0.81168%0.677SS**  trans-60.580163.8150.80000109.5W301S299-W301 PolarHBondContact O-N 2.97Å
300V43.1Very low45.1Very low102 Ų102133 Ų13362%0.61869%0.689SS**  trans-80105.5166.9-175.50000106.8T298 N302T298-V300 PolarHBondContact O-N 3.42Å; V300-N302 PolarHBondContact O-N 2.91Å
301W39.7Very low44.5Very low217 Ų217134.9 Ų134.982%0.82270%0.696SS**  trans-49.1108.3-176.4-14586000111.6S299 P303S299-W301 PolarHBondContact O-N 2.97Å; W301-P303 HydrophobicContact CZ3-CB 4.47Å; W301-P303 WeakPolarHBondContact O-CD 3.45Å
302N45.3Very low43.9Very low111 Ų111131.9 Ų131.959%0.59469%0.692SS**  trans-86.1113.5-179.8-167.3-8.4000110V300 R304V300-N302 PolarHBondContact O-N 2.91Å; N302-R304 PolarHBondContact O-N 2.69Å
303P46.9Very low43.7Very low96 Ų96134.4 Ų134.462%0.62371%0.705SS**THydrogen-bonded Turntrans-78.515.7-173.232.4-35000114W301W301-P303 HydrophobicContact CZ3-CB 4.47Å; W301-P303 WeakPolarHBondContact O-CD 3.45Å
304R46.9Very low43.5Very low227 Ų227134 Ų13486%0.85770%0.704SS**THydrogen-bonded Turntrans-95.7-1.9-176.1-84.9-177.4162178.9-3.6115.5N302N302-R304 PolarHBondContact O-N 2.69Å
305S40.5Very low43.4Very low86 Ų86136 Ų13660%0.60170%0.702SS**  trans-11581.9-179.6-46.60000110S307S305-S307 PolarHBondContact O-N 3.05Å
306Y38.2Very low43.4Very low225 Ų225141.5 Ų141.588%0.88272%0.718SS**  trans-74.969.9161.2-86.5-88.2000108.9
307S38.3Very low43.3Very low96 Ų96139 Ų13967%0.67171%0.708SS**  trans-116.4112.7155.423.30000104.4S305S305-S307 PolarHBondContact O-N 3.05Å
308A43.4Very low43.5Very low75 Ų75140.6 Ų140.662%0.6271%0.708SS**  trans-42.9137-170.800000112.1H310A308-H310 VanDerWaalsContact C-N 3.31Å; A308-H310 PolarHBondContact O-N 3.17Å
309P43.5Very low43.8Very low116 Ų116146 Ų14675%0.75372%0.722SS**  trans-64109.615428.6-25.4000103.7R311P309-R311 PolarHBondContact O-N 3.17Å
310H42.6Very low44.2Very low179 Ų179151.4 Ų151.483%0.82972%0.724SS**  trans-52.198.3160.3-80.1-99.9000104.8A308 N312A308-H310 VanDerWaalsContact C-N 3.31Å; A308-H310 PolarHBondContact O-N 3.17Å; H310-N312 PolarHBondContact O-N 3.45Å
311R44.6Very low44.4Very low212 Ų212153.9 Ų153.980%0.873%0.734SS**  trans-50.6114166.3-76.7-179.2173.2-170.4-3.7103.3P309 L313P309-R311 PolarHBondContact O-N 3.17Å; R311-L313 HydrophobicContact CB-CG 4.25Å; R311-L313 PolarHBondContact O-N 3.14Å
312N40.1Very low44.4Very low117 Ų117155.2 Ų155.263%0.62676%0.757SS**  trans-61.482.5168.1-160.8-4.7000105.8H310 N314 Y315H310-N312 PolarHBondContact O-N 3.45Å; N312-N314 PolarHBondContact O-N 3.36Å; N312-N314 VanDerWaalsContact O-N 3.08Å; N312-Y315 PolarHBondContact O-N 3.08Å
313L44.9Very low44.4Very low145 Ų145157.4 Ų157.476%0.75977%0.766SS**THydrogen-bonded Turntrans-68.11.9-179.7-85.6155.9000111.3R311R311-L313 HydrophobicContact CB-CG 4.25Å; R311-L313 PolarHBondContact O-N 3.14Å
314N48.3Very low44.2Very low136 Ų136160.6 Ų160.673%0.72777%0.773SS**THydrogen-bonded Turntrans-91.7-1.4175.5-76.7-7.4000114.5N312N312-N314 PolarHBondContact O-N 3.36Å; N312-N314 VanDerWaalsContact O-N 3.08Å
315Y47Very low44.1Very low180 Ų180156.9 Ų156.971%0.70677%0.768SS**SBendtrans-88.2-11-179.1-132.8-91.4000114.9N312N312-Y315 PolarHBondContact O-N 3.08Å
316Y40.9Very low44.3Very low191 Ų191161.1 Ų161.175%0.74978%0.778SS**SBendtrans-123.77.3179.4-76.7-78.4000114.6K318Y316-K318 PolarHBondContact O-N 3.32Å
317A47.6Very low44.7Very low71 Ų71157.1 Ų157.159%0.58777%0.772SS**THydrogen-bonded Turntrans-79.34.3173.700000113.6
318K48.7Very low45.1Very low182 Ų182161.2 Ų161.279%0.79178%0.779SS**THydrogen-bonded Turntrans-98.710-176-144.6178.7-176.4-178.50114.6Y316Y316-K318 PolarHBondContact O-N 3.32Å
319Y49.7Very low45.2Very low187 Ų187167.4 Ų167.473%0.73379%0.79SS**SBendtrans-136.315.6-174.8-65-73.2000114.3
320W48Very low45.3Very low228 Ų228171.3 Ų171.386%0.86479%0.793SS**  trans-127.410-175.2-82.871.6000114.7
321D46.4Very low45.6Very low154 Ų154170.7 Ų170.782%0.82479%0.79SS**  trans-101.890.2162.2-75.4-26.9000107.8
322N40.6Very low45.7Very low245 Ų245166.9 Ų166.9100%1.3179%0.789SS**  trans-159.20160.6-98.5-13.5000109.4

Retrieved 322 of 322 residues in 414.9 ms (Link to these results)