G4LWM6_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession G4LWM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 276 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
1M33.6Very low57.1Low230 Ų23095.5 Ų95.5100%1.13362%0.62SS**  099.70-68.7172.8173.800106.2T3M1-T3 PolarHBondContact O-N 3.37Å
2A38.9Very low59.8Low111 Ų11187.6 Ų87.692%0.91757%0.568SS**  trans-79.290.5-176.500000108.9G4A2-G4 PolarHBondContact O-N 2.95Å
3T37.1Very low61.8Low129 Ų12988.8 Ų88.879%0.79156%0.561SS**  trans-81.583.9166.351.60000108M1 S5M1-T3 PolarHBondContact O-N 3.37Å; T3-S5 PolarHBondContact O-N 2.93Å
4G40.8Very low63.3Low71 Ų7188.2 Ų88.273%0.73256%0.561SS**  trans-77.497.5158.800000106.4A2A2-G4 PolarHBondContact O-N 2.95Å
5S41.7Very low64.8Low104 Ų10485.4 Ų85.473%0.72755%0.545SS*.  59.5115.886.2-172.50000112.2T3T3-S5 PolarHBondContact O-N 2.93Å
6S49.9Very low66.2Low93 Ų9389.9 Ų89.965%0.6556%0.557SS**SBendtrans64.385.5166.550.30000117.8D8S6-D8 VanDerWaalsContact C-N 3.26Å; S6-D8 PolarHBondContact O-N 2.61Å
7G59.4Low67.2Low66 Ų6687 Ų8768%0.6854%0.544SS*.  64.8-1.2117.500000121.2S9G7-S9 PolarHBondContact O-N 2.73Å
8D69.5Low68.3Low83 Ų8389.7 Ų89.744%0.44455%0.549SS..  trans-85.5102.9176.2-63.2-24.5000108.8S6 Y10S6-D8 VanDerWaalsContact C-N 3.26Å; S6-D8 PolarHBondContact O-N 2.61Å; D8-Y10 HydrophobicContact CB-CE2 3.86Å; D8-Y10 VanDerWaalsContact O-CD2 3.22Å; D8-Y10 WeakPolarHBondContact O-CD2 3.38Å; D8-Y10 VanDerWaalsContact O-CE2 3.28Å; D8-Y10 WeakPolarHBondContact O-CE2 3.44Å
9S81.1Confident69.2Low32 Ų3286 Ų8622%0.22453%0.526CS..EExtended strand (participates in β ladder)trans-75.7146.7166.444.60000109G7 E18 A38 I39G7-S9 PolarHBondContact O-N 2.73Å; S9-E18 WeakPolarHBondContact CB-OE1 3.44Å; S9-A38 CarbonylContact O-C 3.51Å; S9-I39 WeakPolarHBondContact O-CA 3.39Å; S9-I39 WeakPolarHBondContact O-CB 3.27Å; S9-I39 PolarHBondContact O-N 2.86Å; S9-I39 WeakPolarHBondContact OG-CB 3.41Å; S9-I39 PolarHBondContact OG-O 3.33Å
10Y87.3Confident69.8Low59 Ų5987.6 Ų87.623%0.23154%0.535CS..EExtended strand (participates in β ladder)trans-121.5135.5-176.8-72.6-95000109.9D8 E18 V19 P21 I36 E37 A38D8-Y10 HydrophobicContact CB-CE2 3.86Å; D8-Y10 VanDerWaalsContact O-CD2 3.22Å; D8-Y10 WeakPolarHBondContact O-CD2 3.38Å; D8-Y10 VanDerWaalsContact O-CE2 3.28Å; D8-Y10 WeakPolarHBondContact O-CE2 3.44Å; Y10-E18 CarbonylContact O-C 3.55Å; Y10-E18 VanDerWaalsContact O-CA 3.3Å; Y10-E18 WeakPolarHBondContact O-CA 3.42Å; Y10-E18 WeakPolarHBondContact O-CG 3.22Å; Y10-V19 WeakPolarHBondContact CB-O 3.46Å; Y10-V19 PolarHBondContact O-N 2.82Å; Y10-V19 VanDerWaalsContact O-O 3.13Å; Y10-P21 HydrophobicContact CD1-CG 4.09Å; Y10-P21 HydrophobicContact CD2-CG 3.69Å; Y10-P21 HydrophobicContact CE1-CG 4.23Å; Y10-P21 HydrophobicContact CE2-CG 3.88Å; Y10-P21 HydrophobicContact CG-CG 3.82Å; Y10-I36 HydrophobicContact CD1-CG2 3.96Å; Y10-I36 HydrophobicContact CG-CG2 4.25Å; Y10-E37 CarbonylContact C-O 3.47Å; Y10-E37 VanDerWaalsContact CA-O 3.23Å; Y10-E37 WeakPolarHBondContact CA-O 3.38Å; Y10-A38 HydrophobicContact CD1-CB 4.06Å; Y10-A38 HydrophobicContact CE1-CB 3.78Å
11Y89Confident70.3Confident73 Ų7384.5 Ų84.529%0.28652%0.517SS..EExtended strand (participates in β ladder)trans-113129-178.6-171.1-100.8000111.6H13 E16 I36 E37 I39Y11-H13 AromaticContact CD1-CE1 3.95Å; Y11-H13 AromaticContact CD1-ND1 3.98Å; Y11-H13 AromaticContact CE1-ND1 3.81Å; Y11-E16 VanDerWaalsContact CZ-C 3.46Å; Y11-E16 WeakPolarHBondContact OH-CA 3.49Å; Y11-E16 PolarHBondContact OH-O 2.99Å; Y11-E16 VanDerWaalsContact OH-O 3.08Å; Y11-I36 CarbonylContact O-C 3.59Å; Y11-I36 VanDerWaalsContact O-CA 3.27Å; Y11-I36 WeakPolarHBondContact O-CA 3.29Å; Y11-I36 WeakPolarHBondContact O-CG2 3.5Å; Y11-E37 PolarHBondContact N-O 2.87Å; Y11-E37 PolarHBondContact O-N 3.01Å; Y11-I39 HydrophobicContact CD2-CD1 4.45Å; Y11-I39 HydrophobicContact CG-CD1 4.44Å
12C89Confident72.5Confident0 Ų076.5 Ų76.50%048%0.479CS..EExtended strand (participates in β ladder)trans-97.2113.3174.41770000110.3S14 C15 E16 A17 V19 C28 C31C12-S14 PolarHBondContact O-N 3.33Å; C12-C15 HydrophobicContact CB-CB 4.03Å; C12-C15 PolarHBondContact O-N 3.32Å; C12-C15 PolarHBondContact SG-N 3.04Å; C12-C15 VanDerWaalsContact SG-N 3.37Å; C12-C15 VanDerWaalsContact SG-SG 3.62Å; C12-E16 WeakPolarHBondContact O-CA 3.11Å; C12-E16 PolarHBondContact O-N 2.95Å; C12-A17 PolarHBondContact N-O 3.5Å; C12-A17 PolarHBondContact O-N 3.4Å; C12-V19 HydrophobicContact CB-CB 4.42Å; C12-V19 HydrophobicContact CB-CG1 3.85Å; C12-V19 HydrophobicContact CB-CG2 3.65Å; C12-C28 HydrophobicContact CB-CB 4.31Å; C12-C31 VanDerWaalsContact SG-SG 3.64Å
13H86.5Confident74Confident103 Ų10379 Ų7948%0.47748%0.476SS..THydrogen-bonded Turntrans-64.7-28.4177.9-72.8-74.7000112.9Y11 F35 E37Y11-H13 AromaticContact CD1-CE1 3.95Å; Y11-H13 AromaticContact CD1-ND1 3.98Å; Y11-H13 AromaticContact CE1-ND1 3.81Å; H13-F35 PolarHBondContact N-O 3.05Å; H13-E37 IonicContact CE1-OE2 3.51Å; H13-E37 IonicContact NE2-OE2 3.42Å; H13-E37 PolarHBondContact NE2-OE2 3.49Å
14S82.6Confident75.6Confident81 Ų8180.6 Ų80.657%0.56647%0.474SS*.THydrogen-bonded Turntrans-79.9-19177.8-172.50000113.9C12C12-S14 PolarHBondContact O-N 3.33Å
15C85.5Confident77.4Confident46 Ų4682.5 Ų82.531%0.31147%0.468SS..THydrogen-bonded Turntrans-106.6-7.2176.6-66.10000112.5C12 A17 C31C12-C15 HydrophobicContact CB-CB 4.03Å; C12-C15 PolarHBondContact O-N 3.32Å; C12-C15 PolarHBondContact SG-N 3.04Å; C12-C15 VanDerWaalsContact SG-N 3.37Å; C12-C15 VanDerWaalsContact SG-SG 3.62Å; C15-A17 HydrophobicContact CB-CB 4.35Å; C15-A17 PolarHBondContact O-N 2.9Å; C15-A17 VanDerWaalsContact O-N 3.12Å; C15-C31 PolarHBondContact SG-SG 3.06Å
16E87.1Confident79.2Confident157 Ų15784.2 Ų84.273%0.73446%0.462SS*.THydrogen-bonded Turntrans51.928-171.7-58.3-178.4177.200113.8Y11 C12Y11-E16 VanDerWaalsContact CZ-C 3.46Å; Y11-E16 WeakPolarHBondContact OH-CA 3.49Å; Y11-E16 PolarHBondContact OH-O 2.99Å; Y11-E16 VanDerWaalsContact OH-O 3.08Å; C12-E16 WeakPolarHBondContact O-CA 3.11Å; C12-E16 PolarHBondContact O-N 2.95Å
17A83.5Confident80.8Confident41 Ų4180.9 Ų80.934%0.33944%0.438SS..EExtended strand (participates in β ladder)trans-137.4153.5-170.700000112.3C12 C15C12-A17 PolarHBondContact N-O 3.5Å; C12-A17 PolarHBondContact O-N 3.4Å; C15-A17 HydrophobicContact CB-CB 4.35Å; C15-A17 PolarHBondContact O-N 2.9Å; C15-A17 VanDerWaalsContact O-N 3.12Å
18E87.8Confident82.1Confident136 Ų13677.7 Ų77.764%0.63641%0.406SS*.EExtended strand (participates in β ladder)trans-67.7129.5167-169.4-178.7165.800109.4S9 Y10S9-E18 WeakPolarHBondContact CB-OE1 3.44Å; Y10-E18 CarbonylContact O-C 3.55Å; Y10-E18 VanDerWaalsContact O-CA 3.3Å; Y10-E18 WeakPolarHBondContact O-CA 3.42Å; Y10-E18 WeakPolarHBondContact O-CG 3.22Å
19V84.8Confident82.8Confident19 Ų1977.1 Ų77.112%0.11541%0.408CS..EExtended strand (participates in β ladder)trans-133.1154-175.2-63.50000110.4Y10 C12 I36Y10-V19 WeakPolarHBondContact CB-O 3.46Å; Y10-V19 PolarHBondContact O-N 2.82Å; Y10-V19 VanDerWaalsContact O-O 3.13Å; C12-V19 HydrophobicContact CB-CB 4.42Å; C12-V19 HydrophobicContact CB-CG1 3.85Å; C12-V19 HydrophobicContact CB-CG2 3.65Å; V19-I36 HydrophobicContact CG2-CD1 4.48Å; V19-I36 HydrophobicContact CG2-CG1 4.43Å; V19-I36 HydrophobicContact CG2-CG2 4.12Å
20V81.7Confident82.8Confident117 Ų11779.2 Ų79.271%0.70943%0.427SS*.PPolyproline II helixtrans-88.9122.9165.6-177.30000107.6S29V20-S29 WeakPolarHBondContact O-CB 3.43Å; V20-S29 PolarHBondContact O-OG 3.2Å
21P80.3Confident82.8Confident23 Ų2378.7 Ų78.715%0.14943%0.432CS..BIsolated β-bridgetrans-68.3148.8-179.728.7-34.3000110.8Y10 L23 I36Y10-P21 HydrophobicContact CD1-CG 4.09Å; Y10-P21 HydrophobicContact CD2-CG 3.69Å; Y10-P21 HydrophobicContact CE1-CG 4.23Å; Y10-P21 HydrophobicContact CE2-CG 3.88Å; Y10-P21 HydrophobicContact CG-CG 3.82Å; P21-L23 PolarHBondContact O-N 3.19Å; P21-I36 HydrophobicContact CB-CD1 4.04Å
22N79.3Confident82.4Confident62 Ų6281.7 Ų81.733%0.33245%0.448SS..PPolyproline II helixtrans-71.7123.6169.1-171.2-0.5000109.7Q24 D25 F26 T27N22-Q24 PolarHBondContact O-N 3.29Å; N22-Q24 VanDerWaalsContact O-N 3.12Å; N22-D25 PolarHBondContact O-N 3.45Å; N22-F26 WeakPolarHBondContact O-CA 3.47Å; N22-F26 PolarHBondContact O-N 2.59Å; N22-T27 PolarHBondContact N-O 3.33Å
23L69.7Low81.7Confident165 Ų16582.8 Ų82.886%0.86446%0.456SS*.THydrogen-bonded Turntrans-59.7-23.3-174.7-70.4160000114.4P21P21-L23 PolarHBondContact O-N 3.19Å
24Q71.2Confident81.3Confident162 Ų16280.7 Ų80.776%0.75746%0.462SS*.THydrogen-bonded Turntrans-82.5-45.2-176.9-70.1178.9-1.400112.3N22N22-Q24 PolarHBondContact O-N 3.29Å; N22-Q24 VanDerWaalsContact O-N 3.12Å
25D78.2Confident81.3Confident111 Ų11184.2 Ų84.259%0.59447%0.468SS*.THydrogen-bonded Turntrans-121.11.1-167.9-57.8-39.2000113.8N22 T27N22-D25 PolarHBondContact O-N 3.45Å; D25-T27 HydrophobicContact CB-CG2 3.81Å; D25-T27 PolarHBondContact O-N 2.93Å; D25-T27 VanDerWaalsContact O-N 3.16Å
26F80.4Confident81.2Confident139 Ų13983.8 Ų83.861%0.6146%0.462SS*.  trans51.335-172.5-69.5-87.9000113N22 I36N22-F26 WeakPolarHBondContact O-CA 3.47Å; N22-F26 PolarHBondContact O-N 2.59Å; F26-I36 WeakPolarHBondContact O-CD1 3.49Å
27T83.9Confident81Confident23 Ų2381.3 Ų81.314%0.14145%0.45CS..  trans-100.6153.4177.757.30000111.6N22 D25 S29N22-T27 PolarHBondContact N-O 3.33Å; D25-T27 HydrophobicContact CB-CG2 3.81Å; D25-T27 PolarHBondContact O-N 2.93Å; D25-T27 VanDerWaalsContact O-N 3.16Å; T27-S29 PolarHBondContact O-N 3.42Å
28C86.3Confident80.9Confident0 Ų081.7 Ų81.70%045%0.453CS..BIsolated β-bridgetrans-59.3130.6176.7177.10000109.9C12 A30 C31 H32 S33 I36C12-C28 HydrophobicContact CB-CB 4.31Å; C28-A30 PolarHBondContact O-N 3.46Å; C28-A30 PolarHBondContact SG-N 2.91Å; C28-A30 VanDerWaalsContact SG-N 3.37Å; C28-C31 VanDerWaalsContact CB-SG 3.5Å; C28-C31 PolarHBondContact SG-N 3.03Å; C28-H32 WeakPolarHBondContact O-CA 3.27Å; C28-H32 PolarHBondContact O-N 3.11Å; C28-S33 PolarHBondContact N-O 2.88Å; C28-I36 HydrophobicContact CB-CD1 4.12Å; C28-I36 HydrophobicContact CB-CG1 4.12Å
29S82.9Confident80.4Confident70 Ų7077.9 Ų77.949%0.4944%0.437SS..THydrogen-bonded Turntrans-68.1-20.6177.644.90000113.5V20 T27V20-S29 WeakPolarHBondContact O-CB 3.43Å; V20-S29 PolarHBondContact O-OG 3.2Å; T27-S29 PolarHBondContact O-N 3.42Å
30A81.6Confident79.8Confident76 Ų7679.4 Ų79.463%0.62845%0.448SS*.THydrogen-bonded Turntrans-94-42.4-17900000113.6C28C28-A30 PolarHBondContact O-N 3.46Å; C28-A30 PolarHBondContact SG-N 2.91Å; C28-A30 VanDerWaalsContact SG-N 3.37Å
31C87.2Confident78.4Confident49 Ų4979.5 Ų79.533%0.33145%0.451SS..THydrogen-bonded Turntrans-116.2-2.1-176.5690000114.7C12 C15 C28 S33C12-C31 VanDerWaalsContact SG-SG 3.64Å; C15-C31 PolarHBondContact SG-SG 3.06Å; C28-C31 VanDerWaalsContact CB-SG 3.5Å; C28-C31 PolarHBondContact SG-N 3.03Å; C31-S33 PolarHBondContact O-N 3.46Å; C31-S33 VanDerWaalsContact SG-CB 3.51Å; C31-S33 PolarHBondContact SG-OG 3.41Å
32H81.7Confident77Confident135 Ų13581.8 Ų81.863%0.62548%0.479SS*.  trans56.413.2-175.1-55.3-69.7000115C28C28-H32 WeakPolarHBondContact O-CA 3.27Å; C28-H32 PolarHBondContact O-N 3.11Å
33S74.3Confident75.3Confident24 Ų2483 Ų8317%0.16849%0.493CS..  trans-74.7146.2174.9790000111.1C28 C31 F35C28-S33 PolarHBondContact N-O 2.88Å; C31-S33 PolarHBondContact O-N 3.46Å; C31-S33 VanDerWaalsContact SG-CB 3.51Å; C31-S33 PolarHBondContact SG-OG 3.41Å; S33-F35 PolarHBondContact O-N 3.06Å
34G77.8Confident73.8Confident59 Ų5977.9 Ų77.961%0.60848%0.479SS*.SBendtrans-83.111.4176.500000114.7I36G34-I36 PolarHBondContact O-N 3.39Å
35F81.4Confident72.4Confident155 Ų15577.7 Ų77.768%0.6848%0.483SS*.  trans-9964.6-175.7-70.4-83.6000111.4H13 S33H13-F35 PolarHBondContact N-O 3.05Å; S33-F35 PolarHBondContact O-N 3.06Å
36I83.3Confident70.4Confident36 Ų3676.7 Ų76.719%0.18548%0.484CS..EExtended strand (participates in β ladder)trans-112.4138.2175.8-49.8165.6000109.9Y10 Y11 V19 P21 F26 C28 G34Y10-I36 HydrophobicContact CD1-CG2 3.96Å; Y10-I36 HydrophobicContact CG-CG2 4.25Å; Y11-I36 CarbonylContact O-C 3.59Å; Y11-I36 VanDerWaalsContact O-CA 3.27Å; Y11-I36 WeakPolarHBondContact O-CA 3.29Å; Y11-I36 WeakPolarHBondContact O-CG2 3.5Å; V19-I36 HydrophobicContact CG2-CD1 4.48Å; V19-I36 HydrophobicContact CG2-CG1 4.43Å; V19-I36 HydrophobicContact CG2-CG2 4.12Å; P21-I36 HydrophobicContact CB-CD1 4.04Å; F26-I36 WeakPolarHBondContact O-CD1 3.49Å; C28-I36 HydrophobicContact CB-CD1 4.12Å; C28-I36 HydrophobicContact CB-CG1 4.12Å; G34-I36 PolarHBondContact O-N 3.39Å
37E84.7Confident68.5Low106 Ų10675.5 Ų75.550%0.49549%0.493SS..EExtended strand (participates in β ladder)trans-114140.2175.8-177.6175.7176.700110.7Y10 Y11 H13 I39Y10-E37 CarbonylContact C-O 3.47Å; Y10-E37 VanDerWaalsContact CA-O 3.23Å; Y10-E37 WeakPolarHBondContact CA-O 3.38Å; Y11-E37 PolarHBondContact N-O 2.87Å; Y11-E37 PolarHBondContact O-N 3.01Å; H13-E37 IonicContact CE1-OE2 3.51Å; H13-E37 IonicContact NE2-OE2 3.42Å; H13-E37 PolarHBondContact NE2-OE2 3.49Å; E37-I39 PolarHBondContact O-N 2.93Å
38A81.3Confident66.2Low48 Ų4879.9 Ų79.940%0.39752%0.516SS..EExtended strand (participates in β ladder)trans-80.1114170.400000109.4S9 Y10 S40S9-A38 CarbonylContact O-C 3.51Å; Y10-A38 HydrophobicContact CD1-CB 4.06Å; Y10-A38 HydrophobicContact CE1-CB 3.78Å; A38-S40 PolarHBondContact O-N 3.5Å
39I77Confident64.1Low57 Ų5785.9 Ų85.929%0.29256%0.555SS.*EExtended strand (participates in β ladder)trans-82.299.5171.3-46.8161.8000107.2S9 Y11 E37S9-I39 WeakPolarHBondContact O-CA 3.39Å; S9-I39 WeakPolarHBondContact O-CB 3.27Å; S9-I39 PolarHBondContact O-N 2.86Å; S9-I39 WeakPolarHBondContact OG-CB 3.41Å; S9-I39 PolarHBondContact OG-O 3.33Å; Y11-I39 HydrophobicContact CD2-CD1 4.45Å; Y11-I39 HydrophobicContact CG-CD1 4.44Å; E37-I39 PolarHBondContact O-N 2.93Å
40S70.7Confident62.1Low50 Ų5087.8 Ų87.835%0.3556%0.564SS.*  trans-67.2134.8161.7-680000108.5A38 G42 S43A38-S40 PolarHBondContact O-N 3.5Å; S40-G42 PolarHBondContact O-N 3.32Å; S40-S43 PolarHBondContact O-N 3.13Å
41P52.9Low60.4Low119 Ų11990.4 Ų90.477%0.77356%0.563SS**THydrogen-bonded Turntrans-64.817.2178.824.2-32.6000115.2
42G50.8Low58.3Low72 Ų7294.6 Ų94.674%0.74258%0.581SS**THydrogen-bonded Turntrans-137.14.517200000115.1S40S40-G42 PolarHBondContact O-N 3.32Å
43S44.1Very low56.7Low88 Ų8892.4 Ų92.462%0.61557%0.574SS**  trans-100.11.1177.6-57.10000113.4S40 L45S40-S43 PolarHBondContact O-N 3.13Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.43Å
44G38.1Very low55.4Low57 Ų5793.4 Ų93.459%0.58858%0.584SS**  trans-63.696.2160.800000108.2S46G44-S46 PolarHBondContact O-N 3.3Å
45L42Very low53.8Low157 Ų15796.6 Ų96.682%0.82259%0.585SS**  trans-54.489.8157.5-69.3170.3000105.8S43 S47S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.43Å; L45-S47 PolarHBondContact O-N 3.26Å
46S35.2Very low52.2Low90 Ų9095.2 Ų95.263%0.62958%0.58SS**  trans-56.1126.7-179.3-176.50000106.9G44 N48G44-S46 PolarHBondContact O-N 3.3Å; S46-N48 PolarHBondContact O-N 3.44Å
47S41.7Very low50.7Low114 Ų11498.1 Ų98.180%0.79759%0.594SS**SBendtrans-62.513.9-177.8-31.80000114.1L45L45-S47 PolarHBondContact O-N 3.26Å
48N36.1Very low48.9Very low115 Ų11594.1 Ų94.162%0.61558%0.576SS**  trans-126.592.2178-63.2-39.4000108.5S46 T50S46-N48 PolarHBondContact O-N 3.44Å; N48-T50 PolarHBondContact O-N 2.89Å
49P42.1Very low47Very low127 Ų12793.5 Ų93.583%0.82557%0.574SS**  trans-75.874.1178.131.4-33.4000109.7E51P49-E51 PolarHBondContact O-N 3.23Å
50T39.8Very low45.5Very low109 Ų10997.9 Ų97.967%0.66959%0.593SS**  trans-91.788.3170.148.90000109.1N48 L52N48-T50 PolarHBondContact O-N 2.89Å; T50-L52 PolarHBondContact O-N 3.01Å
51E46.1Very low44.4Very low131 Ų131101 Ų10161%0.61261%0.606SS**SBendtrans53.8-18.9148.1-137.9164.5-154.200121.5P49 R78P49-E51 PolarHBondContact O-N 3.23Å; E51-R78 VanDerWaalsContact OE1-CD 3.25Å; E51-R78 WeakPolarHBondContact OE1-CD 3.48Å; E51-R78 IonicContact OE1-CZ 3.06Å; E51-R78 IonicContact OE1-NE 3.88Å; E51-R78 IonicContact OE1-NH1 3.95Å; E51-R78 PolarHBondContact OE1-NH1 3.45Å
52L42.3Very low44Very low137 Ų13798.6 Ų98.672%0.71758%0.583SS**SBendtrans-88-14.4-175.3-74.4153.1000113.6T50T50-L52 PolarHBondContact O-N 3.01Å
53D48.1Very low43.4Very low89 Ų8998.6 Ų98.648%0.47658%0.584SS.*Hα-helixtrans-79.4-20.3-177.7-158.325.7000113.4M55 Q56 M57D53-M55 VanDerWaalsContact C-N 3.32Å; D53-M55 PolarHBondContact O-N 2.88Å; D53-Q56 PolarHBondContact O-N 3.33Å; D53-M57 WeakPolarHBondContact O-CG 3.49Å; D53-M57 PolarHBondContact O-N 3.29Å; D53-M57 VanDerWaalsContact O-N 3.16Å
54A48.5Very low43.1Very low46 Ų4697.9 Ų97.938%0.3859%0.59SS.*Hα-helixtrans-61.6-42.217500000111.1Q56 M57 I58A54-Q56 VanDerWaalsContact C-N 3.3Å; A54-Q56 PolarHBondContact O-N 3.08Å; A54-M57 PolarHBondContact O-N 2.89Å; A54-I58 HydrophobicContact CB-CD1 4.46Å; A54-I58 WeakPolarHBondContact O-CB 3.3Å; A54-I58 WeakPolarHBondContact O-CD1 3.28Å; A54-I58 WeakPolarHBondContact O-CG1 3.36Å; A54-I58 PolarHBondContact O-N 3.32Å
55M44.5Very low43.2Very low125 Ų125100.2 Ų100.262%0.61660%0.597SS**Hα-helixtrans-64.6-34.2-179.5-69.7-17480.500112.5D53 G59D53-M55 VanDerWaalsContact C-N 3.32Å; D53-M55 PolarHBondContact O-N 2.88Å; M55-G59 PolarHBondContact O-N 2.9Å
56Q48Very low43.3Very low126 Ų12696 Ų9659%0.58958%0.575SS**Hα-helixtrans-73.5-41.4179.5-171.1164.1-2900111.7D53 A54 I58 G59 Q60D53-Q56 PolarHBondContact O-N 3.33Å; A54-Q56 VanDerWaalsContact C-N 3.3Å; A54-Q56 PolarHBondContact O-N 3.08Å; Q56-I58 VanDerWaalsContact C-N 3.34Å; Q56-I58 PolarHBondContact O-N 2.9Å; Q56-G59 PolarHBondContact O-N 2.8Å; Q56-Q60 WeakPolarHBondContact O-CG 3.36Å; Q56-Q60 PolarHBondContact O-N 2.99Å; Q56-Q60 VanDerWaalsContact O-N 3.08Å
57M51.5Low43.8Very low98 Ų9894.6 Ų94.648%0.48357%0.566SS.*Hα-helixtrans-60.3-42.2171.8-73.6-78.2-151.800112.2D53 A54 Q60 L61D53-M57 WeakPolarHBondContact O-CG 3.49Å; D53-M57 PolarHBondContact O-N 3.29Å; D53-M57 VanDerWaalsContact O-N 3.16Å; A54-M57 PolarHBondContact O-N 2.89Å; M57-Q60 PolarHBondContact O-N 3.05Å; M57-L61 PolarHBondContact O-N 2.74Å
58I45.6Very low43.8Very low22 Ų2294.1 Ų94.111%0.11355%0.554CS.*Hα-helixtrans-66.9-42.3177.7-69.6159000110.8A54 Q56 Q60 L61 F62 L66 F70 F74A54-I58 HydrophobicContact CB-CD1 4.46Å; A54-I58 WeakPolarHBondContact O-CB 3.3Å; A54-I58 WeakPolarHBondContact O-CD1 3.28Å; A54-I58 WeakPolarHBondContact O-CG1 3.36Å; A54-I58 PolarHBondContact O-N 3.32Å; Q56-I58 VanDerWaalsContact C-N 3.34Å; Q56-I58 PolarHBondContact O-N 2.9Å; I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 2.85Å; I58-L61 PolarHBondContact O-N 2.86Å; I58-L61 VanDerWaalsContact O-N 3.16Å; I58-F62 HydrophobicContact CG2-CD2 4.28Å; I58-F62 PolarHBondContact O-N 3.4Å; I58-L66 HydrophobicContact CG2-CD2 3.54Å; I58-F70 HydrophobicContact CB-CE1 4.31Å; I58-F70 HydrophobicContact CB-CZ 3.98Å; I58-F70 HydrophobicContact CD1-CE1 3.72Å; I58-F70 HydrophobicContact CD1-CZ 3.4Å; I58-F70 VanDerWaalsContact CD1-CZ 3.4Å; I58-F70 HydrophobicContact CG1-CE1 4.25Å; I58-F70 HydrophobicContact CG1-CZ 3.64Å; I58-F70 HydrophobicContact CG2-CD1 4.39Å; I58-F70 HydrophobicContact CG2-CE1 3.35Å; I58-F70 HydrophobicContact CG2-CE2 4.07Å; I58-F70 HydrophobicContact CG2-CZ 3.13Å; I58-F74 HydrophobicContact CD1-CD1 4.47Å; I58-F74 HydrophobicContact CD1-CD2 4.46Å; I58-F74 HydrophobicContact CD1-CE1 3.81Å; I58-F74 HydrophobicContact CD1-CE2 3.84Å; I58-F74 HydrophobicContact CD1-CZ 3.46Å; I58-F74 VanDerWaalsContact CD1-CZ 3.46Å
59G42.2Very low44.2Very low35 Ų3594.9 Ų94.936%0.36156%0.558SS.*Hα-helixtrans-60.4-38.2177.500000112.7M55 Q56 L61 G63M55-G59 PolarHBondContact O-N 2.9Å; Q56-G59 PolarHBondContact O-N 2.8Å; G59-L61 VanDerWaalsContact C-N 3.34Å; G59-G63 PolarHBondContact O-N 3.33Å
60Q45.4Very low44.3Very low148 Ų14890.4 Ų90.469%0.69253%0.526SS*.Hα-helixtrans-66.7-32.4175.1-74-178.1-6.500113.1Q56 M57 I58Q56-Q60 WeakPolarHBondContact O-CG 3.36Å; Q56-Q60 PolarHBondContact O-N 2.99Å; Q56-Q60 VanDerWaalsContact O-N 3.08Å; M57-Q60 PolarHBondContact O-N 3.05Å; I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 2.85Å
61L47.8Very low44.7Very low116 Ų11688.6 Ų88.661%0.60751%0.514SS*.Hα-helixtrans-85.1-33.6179.6-69.3172.7000113.6M57 I58 G59M57-L61 PolarHBondContact O-N 2.74Å; I58-L61 PolarHBondContact O-N 2.86Å; I58-L61 VanDerWaalsContact O-N 3.16Å; G59-L61 VanDerWaalsContact C-N 3.34Å
62F44.1Very low44.3Very low68 Ų6890.5 Ų90.530%0.29852%0.516SS..Hα-helixtrans-115.112.2-169.9-70-77.1000115.8I58 G64 L66 F142 F146I58-F62 HydrophobicContact CG2-CD2 4.28Å; I58-F62 PolarHBondContact O-N 3.4Å; F62-G64 VanDerWaalsContact C-N 3.28Å; F62-G64 PolarHBondContact O-N 3.09Å; F62-G64 VanDerWaalsContact O-N 3.09Å; F62-L66 HydrophobicContact CB-CD2 4.36Å; F62-F142 HydrophobicContact CE1-CD1 4.46Å; F62-F142 AromaticContact CE1-CE1 3.9Å; F62-F142 HydrophobicContact CE1-CE1 3.9Å; F62-F142 HydrophobicContact CZ-CD1 4.04Å; F62-F142 AromaticContact CZ-CE1 3.94Å; F62-F142 HydrophobicContact CZ-CE1 3.94Å; F62-F146 HydrophobicContact CE1-CE2 4.46Å
63G39.4Very low44.5Very low73 Ų7391.6 Ų91.675%0.75351%0.512SS*.THydrogen-bonded Turntrans58.333.5161.500000115.6G59 S65G59-G63 PolarHBondContact O-N 3.33Å; G63-S65 PolarHBondContact O-N 3.15Å
64G37.1Very low44.1Very low73 Ų7391.3 Ų91.375%0.75351%0.506SS*.THydrogen-bonded Turntrans83.34.7168.200000117.5F62F62-G64 VanDerWaalsContact C-N 3.28Å; F62-G64 PolarHBondContact O-N 3.09Å; F62-G64 VanDerWaalsContact O-N 3.09Å
65S39.6Very low43.7Very low105 Ų10592.6 Ų92.673%0.73452%0.517SS*.  trans-123.289.3173.9-164.50000111.2G63G63-S65 PolarHBondContact O-N 3.15Å
66L43.7Very low43.1Very low69 Ų6989.4 Ų89.436%0.36151%0.51SS..  trans-80.7123.7174-56.2179.1000108.8I58 F62 F70 V71I58-L66 HydrophobicContact CG2-CD2 3.54Å; F62-L66 HydrophobicContact CB-CD2 4.36Å; L66-F70 HydrophobicContact CB-CB 4.32Å; L66-F70 HydrophobicContact CB-CD1 4.12Å; L66-F70 HydrophobicContact CB-CG 4.44Å; L66-F70 HydrophobicContact CD1-CD1 3.92Å; L66-F70 HydrophobicContact CD1-CE1 4.15Å; L66-F70 HydrophobicContact CD2-CD1 3.8Å; L66-F70 HydrophobicContact CD2-CE1 3.93Å; L66-F70 HydrophobicContact CD2-CG 4.27Å; L66-F70 HydrophobicContact CD2-CZ 4.48Å; L66-F70 HydrophobicContact CG-CD1 4.15Å; L66-V71 HydrophobicContact CB-CG2 4.16Å
67S47.1Very low42.3Very low61 Ų6188.9 Ų88.943%0.42752%0.518SS..  trans-63.8153.4171.867.20000111.5N69 F70 V71S67-N69 PolarHBondContact O-N 3.37Å; S67-N69 VanDerWaalsContact O-N 3.14Å; S67-F70 WeakPolarHBondContact O-CA 3.39Å; S67-F70 WeakPolarHBondContact O-CB 3.25Å; S67-F70 PolarHBondContact O-N 3.34Å; S67-V71 PolarHBondContact O-N 3.43Å
68D41.7Very low41.8Very low104 Ų10492.6 Ų92.656%0.55653%0.527SS*.Hα-helixtrans-54.7-33.5-179-167.250.1000112.9F70 V71 R72D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 2.85Å; D68-V71 PolarHBondContact O-N 2.74Å; D68-R72 WeakPolarHBondContact O-CB 3.19Å; D68-R72 WeakPolarHBondContact O-CG 3.26Å; D68-R72 PolarHBondContact O-N 3.29Å; D68-R72 IonicContact OD2-CZ 2.87Å; D68-R72 IonicContact OD2-NH1 2.74Å; D68-R72 PolarHBondContact OD2-NH1 3.13Å
69N44.5Very low41.3Very low131 Ų13199 Ų9970%0.70156%0.561SS**Hα-helixtrans-63.4-33.3173.7-97.217000113.2S67 Y73S67-N69 PolarHBondContact O-N 3.37Å; S67-N69 VanDerWaalsContact O-N 3.14Å; N69-Y73 PolarHBondContact O-N 3.02Å
70F43Very low40.6Very low32 Ų32103.7 Ų103.714%0.1458%0.578CS.*Hα-helixtrans-71-48.8178-164.2-81.4000110.5I58 L66 S67 D68 R72 Y73 F74I58-F70 HydrophobicContact CB-CE1 4.31Å; I58-F70 HydrophobicContact CB-CZ 3.98Å; I58-F70 HydrophobicContact CD1-CE1 3.72Å; I58-F70 HydrophobicContact CD1-CZ 3.4Å; I58-F70 VanDerWaalsContact CD1-CZ 3.4Å; I58-F70 HydrophobicContact CG1-CE1 4.25Å; I58-F70 HydrophobicContact CG1-CZ 3.64Å; I58-F70 HydrophobicContact CG2-CD1 4.39Å; I58-F70 HydrophobicContact CG2-CE1 3.35Å; I58-F70 HydrophobicContact CG2-CE2 4.07Å; I58-F70 HydrophobicContact CG2-CZ 3.13Å; L66-F70 HydrophobicContact CB-CB 4.32Å; L66-F70 HydrophobicContact CB-CD1 4.12Å; L66-F70 HydrophobicContact CB-CG 4.44Å; L66-F70 HydrophobicContact CD1-CD1 3.92Å; L66-F70 HydrophobicContact CD1-CE1 4.15Å; L66-F70 HydrophobicContact CD2-CD1 3.8Å; L66-F70 HydrophobicContact CD2-CE1 3.93Å; L66-F70 HydrophobicContact CD2-CG 4.27Å; L66-F70 HydrophobicContact CD2-CZ 4.48Å; L66-F70 HydrophobicContact CG-CD1 4.15Å; S67-F70 WeakPolarHBondContact O-CA 3.39Å; S67-F70 WeakPolarHBondContact O-CB 3.25Å; S67-F70 PolarHBondContact O-N 3.34Å; D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 2.85Å; F70-R72 VanDerWaalsContact C-N 3.3Å; F70-R72 PolarHBondContact O-N 3.09Å; F70-Y73 PolarHBondContact O-N 2.92Å; F70-F74 AromaticContact CD1-CD2 3.67Å; F70-F74 HydrophobicContact CD1-CD2 3.67Å; F70-F74 AromaticContact CD1-CE2 3.91Å; F70-F74 HydrophobicContact CD1-CE2 3.91Å; F70-F74 HydrophobicContact CD2-CE2 4.27Å; F70-F74 AromaticContact CE1-CD2 3.28Å; F70-F74 HydrophobicContact CE1-CD2 3.28Å; F70-F74 AromaticContact CE1-CE2 3.23Å; F70-F74 HydrophobicContact CE1-CE2 3.23Å; F70-F74 HydrophobicContact CE1-CG 4.34Å; F70-F74 HydrophobicContact CE1-CZ 4.21Å; F70-F74 HydrophobicContact CE2-CD2 4.42Å; F70-F74 AromaticContact CE2-CE2 3.69Å; F70-F74 HydrophobicContact CE2-CE2 3.69Å; F70-F74 HydrophobicContact CG-CD2 4.35Å; F70-F74 HydrophobicContact CG-CE2 4.37Å; F70-F74 AromaticContact CZ-CD2 3.72Å; F70-F74 HydrophobicContact CZ-CD2 3.72Å; F70-F74 AromaticContact CZ-CE2 3.1Å; F70-F74 HydrophobicContact CZ-CE2 3.1Å; F70-F74 AromaticContact CZ-CZ 3.88Å; F70-F74 HydrophobicContact CZ-CZ 3.88Å; F70-F74 WeakPolarHBondContact O-CD2 3.14Å; F70-F74 PolarHBondContact O-N 3.02Å
71V48.2Very low39.8Very low72 Ų72104.7 Ų104.744%0.43659%0.587SS.*Hα-helixtrans-59.7-42.4177.9-178.80000110.7L66 S67 D68 Y73 F74 A75L66-V71 HydrophobicContact CB-CG2 4.16Å; S67-V71 PolarHBondContact O-N 3.43Å; D68-V71 PolarHBondContact O-N 2.74Å; V71-Y73 PolarHBondContact O-N 3.39Å; V71-F74 PolarHBondContact O-N 2.79Å; V71-A75 WeakPolarHBondContact O-CB 3.46Å; V71-A75 PolarHBondContact O-N 3.22Å
72R37.7Very low38.8Very low171 Ų171103.4 Ų103.465%0.64559%0.588SS**Hα-helixtrans-63.1-37.4177.9-77.5-174.7141.5138.9-6.9114.3D68 F70 A76D68-R72 WeakPolarHBondContact O-CB 3.19Å; D68-R72 WeakPolarHBondContact O-CG 3.26Å; D68-R72 PolarHBondContact O-N 3.29Å; D68-R72 IonicContact OD2-CZ 2.87Å; D68-R72 IonicContact OD2-NH1 2.74Å; D68-R72 PolarHBondContact OD2-NH1 3.13Å; F70-R72 VanDerWaalsContact C-N 3.3Å; F70-R72 PolarHBondContact O-N 3.09Å; R72-A76 PolarHBondContact O-N 3.46Å
73Y46.6Very low38.1Very low160 Ų160105.2 Ų105.263%0.62761%0.609SS**Hα-helixtrans-69-38.6179.1-175.5-99.2000112.2N69 F70 V71N69-Y73 PolarHBondContact O-N 3.02Å; F70-Y73 PolarHBondContact O-N 2.92Å; V71-Y73 PolarHBondContact O-N 3.39Å
74F40.7Very low37.5Very low82 Ų82107.5 Ų107.536%0.3661%0.609SS.*Hα-helixtrans-85-25.1178.7-74.4-81.8000114.1I58 F70 V71I58-F74 HydrophobicContact CD1-CD1 4.47Å; I58-F74 HydrophobicContact CD1-CD2 4.46Å; I58-F74 HydrophobicContact CD1-CE1 3.81Å; I58-F74 HydrophobicContact CD1-CE2 3.84Å; I58-F74 HydrophobicContact CD1-CZ 3.46Å; I58-F74 VanDerWaalsContact CD1-CZ 3.46Å; F70-F74 AromaticContact CD1-CD2 3.67Å; F70-F74 HydrophobicContact CD1-CD2 3.67Å; F70-F74 AromaticContact CD1-CE2 3.91Å; F70-F74 HydrophobicContact CD1-CE2 3.91Å; F70-F74 HydrophobicContact CD2-CE2 4.27Å; F70-F74 AromaticContact CE1-CD2 3.28Å; F70-F74 HydrophobicContact CE1-CD2 3.28Å; F70-F74 AromaticContact CE1-CE2 3.23Å; F70-F74 HydrophobicContact CE1-CE2 3.23Å; F70-F74 HydrophobicContact CE1-CG 4.34Å; F70-F74 HydrophobicContact CE1-CZ 4.21Å; F70-F74 HydrophobicContact CE2-CD2 4.42Å; F70-F74 AromaticContact CE2-CE2 3.69Å; F70-F74 HydrophobicContact CE2-CE2 3.69Å; F70-F74 HydrophobicContact CG-CD2 4.35Å; F70-F74 HydrophobicContact CG-CE2 4.37Å; F70-F74 AromaticContact CZ-CD2 3.72Å; F70-F74 HydrophobicContact CZ-CD2 3.72Å; F70-F74 AromaticContact CZ-CE2 3.1Å; F70-F74 HydrophobicContact CZ-CE2 3.1Å; F70-F74 AromaticContact CZ-CZ 3.88Å; F70-F74 HydrophobicContact CZ-CZ 3.88Å; F70-F74 WeakPolarHBondContact O-CD2 3.14Å; F70-F74 PolarHBondContact O-N 3.02Å; V71-F74 PolarHBondContact O-N 2.79Å
75A39.3Very low37.2Very low73 Ų73109.9 Ų109.960%0.60360%0.604SS**Hα-helixtrans-84.7-6.8179.700000114V71 P77V71-A75 WeakPolarHBondContact O-CB 3.46Å; V71-A75 PolarHBondContact O-N 3.22Å; A75-P77 WeakPolarHBondContact O-CD 3.25Å
76A32.6Very low36.9Very low58 Ų58111 Ų11148%0.47960%0.602SS.*SBendtrans-73.3123.2172.700000109.7R72 R78R72-A76 PolarHBondContact O-N 3.46Å; A76-R78 PolarHBondContact O-N 3.39Å
77P30.6Very low36.4Very low115 Ų115115.5 Ų115.575%0.74762%0.621SS**  trans-57.7132.7176.1-23.433.8000111.2A75 D79A75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-D79 PolarHBondContact O-N 2.95Å
78R41Very low35.8Very low177 Ų177116.4 Ų116.467%0.66863%0.627SS**G310 helixtrans-76-6.8-175.6-77.6173148.6177.4-8.3114.7E51 A76 D80E51-R78 VanDerWaalsContact OE1-CD 3.25Å; E51-R78 WeakPolarHBondContact OE1-CD 3.48Å; E51-R78 IonicContact OE1-CZ 3.06Å; E51-R78 IonicContact OE1-NE 3.88Å; E51-R78 IonicContact OE1-NH1 3.95Å; E51-R78 PolarHBondContact OE1-NH1 3.45Å; A76-R78 PolarHBondContact O-N 3.39Å; R78-D80 VanDerWaalsContact C-N 3.26Å; R78-D80 PolarHBondContact O-N 3.19Å
79D34.6Very low35.7Very low155 Ų155117.2 Ų117.283%0.82963%0.631SS**G310 helixtrans-80.14.9-171.7-72.8-31.4000115.2P77P77-D79 PolarHBondContact O-N 2.95Å
80D27.5Very low35.2Very low135 Ų135116.3 Ų116.372%0.72262%0.622SS**G310 helixtrans-126.833.6-177.8-119.7-11.7000114.3R78R78-D80 VanDerWaalsContact C-N 3.26Å; R78-D80 PolarHBondContact O-N 3.19Å
81L29.1Very low34.7Very low169 Ų169124.6 Ų124.689%0.88565%0.653SS**  trans-10645.3168.8-65.9175.6000111.6
82S27.4Very low34.1Very low89 Ų89127 Ų12762%0.62266%0.659SS**SBendtrans-132.1115.4153.578.20000107.7
83S28.1Very low34.1Very low106 Ų106122 Ų12274%0.74165%0.651SS**SBendtrans65.897.2177.972.90000116.3
84T28Very low33.4Very low121 Ų121119.4 Ų119.474%0.74265%0.647SS**  -176110.6116.327.60000109.7
85D29.3Very low33.6Very low122 Ų122119.1 Ų119.165%0.65266%0.655SS**  trans62.676.3139-46.9-25.6000118.8E87 S88D85-E87 PolarHBondContact O-N 3.47Å; D85-S88 PolarHBondContact O-N 3.33Å; D85-S88 PolarHBondContact O-OG 2.97Å
86D35.1Very low33.9Very low129 Ų129125.3 Ų125.369%0.6966%0.663SS**THydrogen-bonded Turntrans-56.39.5154.7-163.322.1000114.1
87E33.1Very low34.4Very low164 Ų164132.2 Ų132.277%0.76668%0.676SS**Hα-helixtrans-82.7-21.2174.5-112.2-155.9107.100113D85 R91D85-E87 PolarHBondContact O-N 3.47Å; E87-R91 PolarHBondContact O-N 3.04Å
88S34.1Very low34.9Very low80 Ų80131.5 Ų131.556%0.55968%0.675SS**Hα-helixtrans-79.1-38.6-174.154.30000113.1D85D85-S88 PolarHBondContact O-N 3.33Å; D85-S88 PolarHBondContact O-OG 2.97Å
89L38.2Very low34.9Very low121 Ų121134.5 Ų134.563%0.63469%0.686SS**Hα-helixtrans-79.5-30-178.9-62.4178.4000113.2E92 S93L89-E92 PolarHBondContact O-N 2.98Å; L89-S93 PolarHBondContact O-N 3.09Å; L89-S93 VanDerWaalsContact O-N 3.14Å; L89-S93 PolarHBondContact O-OG 3.05Å
90E34.2Very low35.1Very low111 Ų111138.2 Ų138.252%0.51969%0.688SS.*Hα-helixtrans-65.6-38.9171.2-74.3-137.4141.100111.3E92 S93 L94E90-E92 PolarHBondContact O-N 3.27Å; E90-S93 WeakPolarHBondContact CA-OG 3.39Å; E90-S93 PolarHBondContact O-N 3.17Å; E90-S93 PolarHBondContact O-OG 3.39Å; E90-L94 HydrophobicContact CB-CD1 4.31Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 WeakPolarHBondContact O-CG 3.11Å; E90-L94 PolarHBondContact O-N 3.26Å
91R33.5Very low35.5Very low206 Ų206136.6 Ų136.678%0.77769%0.687SS**Hα-helixtrans-61.9-34.4179.2-148174-170.8-151.53.5112.4E87 S95E87-R91 PolarHBondContact O-N 3.04Å; R91-S95 PolarHBondContact O-N 3.43Å
92E36Very low35.8Very low122 Ų122134.4 Ų134.457%0.5768%0.681SS**Hα-helixtrans-77.6-39.1179.3-133.7168.3152.500112.6L89 E90 S95L89-E92 PolarHBondContact O-N 2.98Å; E90-E92 PolarHBondContact O-N 3.27Å; E92-S95 PolarHBondContact O-OG 3.43Å
93S37.2Very low36.3Very low67 Ų67142.2 Ų142.247%0.46970%0.697SS.*Hα-helixtrans-75.7-34177.751.30000113.2L89 E90 R96 R97L89-S93 PolarHBondContact O-N 3.09Å; L89-S93 VanDerWaalsContact O-N 3.14Å; L89-S93 PolarHBondContact O-OG 3.05Å; E90-S93 WeakPolarHBondContact CA-OG 3.39Å; E90-S93 PolarHBondContact O-N 3.17Å; E90-S93 PolarHBondContact O-OG 3.39Å; S93-R96 PolarHBondContact O-N 3.42Å; S93-R97 WeakPolarHBondContact O-CB 3.19Å; S93-R97 PolarHBondContact O-N 3.17Å; S93-R97 VanDerWaalsContact O-N 3.09Å
94L32.7Very low36.3Very low105 Ų105144.1 Ų144.155%0.5570%0.699SS.*Hα-helixtrans-69.1-32.6172.6-67174000112.3E90 R96 R97 S98E90-L94 HydrophobicContact CB-CD1 4.31Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 WeakPolarHBondContact O-CG 3.11Å; E90-L94 PolarHBondContact O-N 3.26Å; L94-R96 VanDerWaalsContact C-N 3.31Å; L94-R96 PolarHBondContact O-N 2.82Å; L94-R97 PolarHBondContact O-N 3.2Å; L94-S98 WeakPolarHBondContact O-CB 3.28Å; L94-S98 PolarHBondContact O-N 3.14Å
95S43.3Very low36.9Very low76 Ų76143 Ų14353%0.53170%0.696SS.*Hα-helixtrans-64-36.3174.383.10000112.4R91 E92R91-S95 PolarHBondContact O-N 3.43Å; E92-S95 PolarHBondContact O-OG 3.43Å
96R45.7Very low37.2Very low203 Ų203144.2 Ų144.277%0.76670%0.703SS**Hα-helixtrans-77.9-31178.2-65.8-174.1-175.8-145.63.2112S93 L94S93-R96 PolarHBondContact O-N 3.42Å; L94-R96 VanDerWaalsContact C-N 3.31Å; L94-R96 PolarHBondContact O-N 2.82Å
97R43.5Very low37.3Very low203 Ų203147.5 Ų147.577%0.76671%0.713SS**Hα-helixtrans-84.1-21.9-178.1-160.6143.6-171.9164.8-0.6114.2S93 L94 R99 R100S93-R97 WeakPolarHBondContact O-CB 3.19Å; S93-R97 PolarHBondContact O-N 3.17Å; S93-R97 VanDerWaalsContact O-N 3.09Å; L94-R97 PolarHBondContact O-N 3.2Å; R97-R99 PolarHBondContact O-N 3.29Å; R97-R100 PolarHBondContact O-N 2.8Å
98S40.4Very low37.3Very low101 Ų101150.3 Ų150.371%0.70672%0.717SS**THydrogen-bonded Turntrans-59.2-15.7178.8-173.20000114.7L94L94-S98 WeakPolarHBondContact O-CB 3.28Å; L94-S98 PolarHBondContact O-N 3.14Å
99R41.9Very low37.4Very low240 Ų240152.4 Ų152.491%0.90673%0.732SS**THydrogen-bonded Turntrans-84.40.7174.3-68.1-171.2-178.4174.52115.5R97R97-R99 PolarHBondContact O-N 3.29Å
100R38.6Very low37.2Very low233 Ų233152.2 Ų152.288%0.87974%0.735SS**SBendtrans-118.990.7167.6-88.4-179.7175.9162.2-1.4110.5R97 T102R97-R100 PolarHBondContact O-N 2.8Å; R100-T102 PolarHBondContact O-N 3.24Å
101S37.3Very low37.2Very low100 Ų100158.7 Ų158.770%0.69976%0.755SS**  trans-46.5125.8171.8-175.70000113.6
102T34.2Very low37Very low123 Ų123157.3 Ų157.376%0.75576%0.757SS**  trans47.4102.5139.363.60000120.1R100R100-T102 PolarHBondContact O-N 3.24Å
103R37.3Very low36.7Very low253 Ų253161.1 Ų161.196%0.95577%0.767SS**  -153.3117.4119.3-128.5171.1176.9167.3-2.1110.7
104N29.5Very low36.5Very low146 Ų146162.4 Ų162.478%0.78177%0.771SS**  trans-77.3131.9-179.6-16825.2000110.1
105S40.7Very low36.4Very low99 Ų99166.3 Ų166.369%0.69278%0.78SS**  trans-163.798.7152.660.60000111.3H107S105-H107 PolarHBondContact O-N 2.81Å
106N34.8Very low35.9Very low147 Ų147167.5 Ų167.579%0.78679%0.785SS**  trans9.798.6148.3-59.4-22.5000117.1R108N106-R108 PolarHBondContact O-N 3.26Å
107H36.5Very low35.1Very low198 Ų198169.3 Ų169.392%0.91779%0.791SS**  trans-76.288.5163.6-81.3-79.8000109.7S105S105-H107 PolarHBondContact O-N 2.81Å
108R33Very low34.8Very low223 Ų223164.7 Ų164.784%0.84279%0.786SS**  trans-75.1122.4160.3-159.2174-170.5173.61.9106.8N106 T110N106-R108 PolarHBondContact O-N 3.26Å; R108-T110 PolarHBondContact O-N 3.21Å; R108-T110 PolarHBondContact O-OG1 3Å
109S37.5Very low34.4Very low124 Ų124164.7 Ų164.787%0.86778%0.783SS**  trans-42.2101.7175179.10000110.5
110T32.8Very low33.9Very low116 Ų116161.4 Ų161.471%0.71278%0.784SS**  trans-108.5118.2171.432.50000104.7R108 E112R108-T110 PolarHBondContact O-N 3.21Å; R108-T110 PolarHBondContact O-OG1 3Å; T110-E112 PolarHBondContact O-N 2.93Å
111R33.9Very low33.6Very low248 Ų248152.8 Ų152.894%0.93677%0.767SS**  trans-51.1103.2169.6-84.3175.3141.2140.7-6.3107.5R113R111-R113 PolarHBondContact O-N 3.27Å; R111-R113 VanDerWaalsContact O-N 3.11Å
112E30.1Very low33.6Very low176 Ų176160 Ų16082%0.82278%0.779SS**  trans-74.6103.1-176.5-160.6170.1-157.600107.7T110 V114T110-E112 PolarHBondContact O-N 2.93Å; E112-V114 HydrophobicContact CG-CG2 4.49Å; E112-V114 PolarHBondContact O-N 3.33Å
113R30.9Very low33.7Very low202 Ų202160 Ų16076%0.76277%0.77SS**  trans-87.8100.2177.3-148.4-178.3-151122.30.8107.5R111 Y115R111-R113 PolarHBondContact O-N 3.27Å; R111-R113 VanDerWaalsContact O-N 3.11Å; R113-Y115 HydrophobicContact CB-CE2 4.41Å; R113-Y115 HydrophobicContact CG-CE2 4.33Å
114V32.3Very low33.8Very low94 Ų94152.3 Ų152.357%0.5776%0.761SS**PPolyproline II helixtrans-81.7117177.8-179.60000108.7E112E112-V114 HydrophobicContact CG-CG2 4.49Å; E112-V114 PolarHBondContact O-N 3.33Å
115Y30.6Very low34.2Very low187 Ų187154.1 Ų154.173%0.73376%0.762SS**PPolyproline II helixtrans-95.4126.5168.5-69.1-86.5000109.1R113R113-Y115 HydrophobicContact CB-CE2 4.41Å; R113-Y115 HydrophobicContact CG-CE2 4.33Å
116T33.3Very low34Very low102 Ų102152.8 Ų152.863%0.62675%0.753SS**PPolyproline II helixtrans-85.5125.2171.645.70000109.6
117R27.1Very low34.4Very low240 Ų240150.5 Ų150.591%0.90675%0.745SS**PPolyproline II helixtrans-77.2131.4173.7-74-174.8-176.1171.81.8109.5P119R117-P119 WeakPolarHBondContact O-CD 3.49Å
118V38.1Very low34.6Very low107 Ų107149.3 Ų149.365%0.64873%0.732SS**PPolyproline II helixtrans-80.3120.5174.3-179.40000109.3H123V118-H123 VanDerWaalsContact CG1-NE2 3.27Å; V118-H123 WeakPolarHBondContact CG1-NE2 3.32Å
119P31.8Very low35.2Very low101 Ų101141.4 Ų141.466%0.65671%0.706SS**PPolyproline II helixtrans-78.6130.5158.2-5.724.9000108.3R117 H123R117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-H123 PolarHBondContact O-CE1 3.1Å; P119-H123 PolarHBondContact O-NE2 3.19Å
120D32.1Very low35.4Very low171 Ų171140.7 Ų140.791%0.91469%0.689SS**SBendtrans-61.5133-179.1-127.2-21.9000111.3
121G32.6Very low35.8Very low51 Ų51137.1 Ų137.153%0.52667%0.665SS.*SBendtrans129.787.1167.100000116.1
122R36.6Very low36Very low251 Ų251130.5 Ų130.595%0.94766%0.657SS**  trans77.966.6153.7-48.7174.7-171.6-124.2-0.7115.1
123H37Very low36.4Very low123 Ų123125.4 Ų125.457%0.56964%0.641SS**  trans-83.2116.9-175.7-69.5-78.5000113.5V118 P119V118-H123 VanDerWaalsContact CG1-NE2 3.27Å; V118-H123 WeakPolarHBondContact CG1-NE2 3.32Å; P119-H123 PolarHBondContact O-CE1 3.1Å; P119-H123 PolarHBondContact O-NE2 3.19Å
124A38.6Very low36.9Very low93 Ų93122 Ų12277%0.76964%0.642SS**  trans-66.5119.3147.200000107.4S126A124-S126 PolarHBondContact O-N 3.27Å
125F37.7Very low37.2Very low183 Ų183124.3 Ų124.380%0.80365%0.651SS**  trans-67.6101-178.6-179.1-94.2000109.7T127F125-T127 WeakPolarHBondContact CE1-OG1 3.43Å; F125-T127 WeakPolarHBondContact CZ-OG1 3.34Å
126S37.2Very low37.8Very low72 Ų72118.7 Ų118.750%0.50363%0.632SS.*  trans-106.1112.8162.365.60000108.9A124 R128A124-S126 PolarHBondContact O-N 3.27Å; S126-R128 PolarHBondContact O-N 3.46Å
127T43.1Very low38.2Very low99 Ų99119 Ų11961%0.60764%0.635SS**  trans-66.7104.1166.2-57.10000107.3F125 I129F125-T127 WeakPolarHBondContact CE1-OG1 3.43Å; F125-T127 WeakPolarHBondContact CZ-OG1 3.34Å; T127-I129 HydrophobicContact CG2-CG1 4.33Å
128R40.6Very low38.9Very low173 Ų173113.9 Ų113.965%0.65362%0.62SS**  trans-83113.9174.1-70.4-175.7174.597.5-4.7108.7S126S126-R128 PolarHBondContact O-N 3.46Å
129I44.7Very low39Very low56 Ų56117.4 Ų117.429%0.28762%0.621SS.*  trans-98.6103.2169.4-58.5173.5000106.1T127 L131 L170T127-I129 HydrophobicContact CG2-CG1 4.33Å; I129-L131 HydrophobicContact CG2-CD1 4.22Å; I129-L131 PolarHBondContact O-N 3.14Å; I129-L170 HydrophobicContact CD1-CD2 3.8Å
130Q41.9Very low39.7Very low109 Ų109116.7 Ų116.751%0.50961%0.612SS.*  trans-80.5106.2172.5-74-170.6-76.400108.7S132Q130-S132 VanDerWaalsContact C-N 3.27Å; Q130-S132 PolarHBondContact O-N 3.3Å
131L40.9Very low40.1Very low41 Ų41112.5 Ų112.522%0.21559%0.594CS.*  trans-75.979.1169.9-74.4101.8000109.5I129 S133 H136 F166 V169I129-L131 HydrophobicContact CG2-CD1 4.22Å; I129-L131 PolarHBondContact O-N 3.14Å; L131-S133 PolarHBondContact O-N 2.85Å; L131-H136 PolarHBondContact O-NE2 2.91Å; L131-F166 HydrophobicContact CD1-CD2 4.16Å; L131-F166 HydrophobicContact CD1-CE2 4.18Å; L131-V169 HydrophobicContact CD2-CB 3.73Å; L131-V169 HydrophobicContact CD2-CG1 3.54Å; L131-V169 HydrophobicContact CD2-CG2 3.68Å; L131-V169 HydrophobicContact CG-CG1 4.2Å
132S38.1Very low40.8Very low110 Ų110114.9 Ų114.977%0.76959%0.59SS**  trans-82.783.8171.464.60000110Q130Q130-S132 VanDerWaalsContact C-N 3.27Å; Q130-S132 PolarHBondContact O-N 3.3Å
133S38.2Very low41.1Very low69 Ų69105.8 Ų105.848%0.48356%0.559SS.*  trans-112.8100.6166.5-1750000108.6L131 D135 H136L131-S133 PolarHBondContact O-N 2.85Å; S133-D135 CarbonylContact O-C 3.4Å; S133-D135 PolarHBondContact O-N 3.37Å; S133-H136 VanDerWaalsContact C-CE1 3.47Å; S133-H136 PolarHBondContact N-NE2 2.63Å; S133-H136 PolarHBondContact O-CD2 3.22Å; S133-H136 PolarHBondContact O-CE1 2.64Å; S133-H136 PolarHBondContact O-ND1 3.05Å; S133-H136 PolarHBondContact O-NE2 3.11Å
134V43Very low41.3Very low131 Ų131103.7 Ų103.779%0.79456%0.559SS**SBendtrans-46-17.8-172.8-102.10000116.4
135D38.8Very low41.3Very low142 Ų142106.4 Ų106.476%0.75956%0.56SS**  trans-112.787.5173.4-55.8-49.6000111.2S133S133-D135 CarbonylContact O-C 3.4Å; S133-D135 PolarHBondContact O-N 3.37Å
136H41.7Very low41.2Very low69 Ų69104.1 Ų104.132%0.31955%0.55SS.*  trans-124.7128.1167.35.936.7000108.5L131 S133 F138 R139L131-H136 PolarHBondContact O-NE2 2.91Å; S133-H136 VanDerWaalsContact C-CE1 3.47Å; S133-H136 PolarHBondContact N-NE2 2.63Å; S133-H136 PolarHBondContact O-CD2 3.22Å; S133-H136 PolarHBondContact O-CE1 2.64Å; S133-H136 PolarHBondContact O-ND1 3.05Å; S133-H136 PolarHBondContact O-NE2 3.11Å; H136-F138 PolarHBondContact O-N 3.03Å; H136-R139 PolarHBondContact O-N 3.49Å
137P41.9Very low41.2Very low108 Ų108103.5 Ų103.570%0.70156%0.555SS**THydrogen-bonded Turntrans-68.1-5.4-171.626.6-34.4000114.3
138F42.8Very low41.3Very low132 Ų132104.8 Ų104.858%0.57957%0.568SS**THydrogen-bonded Turntrans-104.922.8179.9-61.7-71.4000113.7H136 L140 M162H136-F138 PolarHBondContact O-N 3.03Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 3.35Å; F138-M162 HydrophobicContact CD2-SD 4.21Å; F138-M162 HydrophobicContact CE2-CG 4.41Å
139R40Very low41.5Very low181 Ų181100.6 Ų100.668%0.68357%0.57SS**  trans-65.595.8165.5-162.6-175.3-174.5159.84.2108.3H136 P141H136-R139 PolarHBondContact O-N 3.49Å; R139-P141 WeakPolarHBondContact O-CD 3.35Å
140L46.3Very low41.9Very low87 Ų87106.5 Ų106.546%0.45560%0.603SS.*  trans-80.998.7162-68.3174000106.9F138 F142 L143F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 3.35Å; L140-F142 PolarHBondContact O-N 3.35Å; L140-L143 HydrophobicContact CB-CB 4.49Å; L140-L143 HydrophobicContact CB-CD1 4.11Å; L140-L143 HydrophobicContact CB-CG 4.12Å; L140-L143 HydrophobicContact CD1-CD1 3.75Å; L140-L143 HydrophobicContact CD1-CG 4.31Å; L140-L143 PolarHBondContact O-N 2.84Å
141P41.1Very low42.4Very low82 Ų82102.9 Ų102.953%0.53260%0.595SS.*G310 helixtrans-57-21.6178.222.9-33.7000112.4R139 S144R139-P141 WeakPolarHBondContact O-CD 3.35Å; P141-S144 WeakPolarHBondContact O-CB 3.14Å; P141-S144 PolarHBondContact O-N 3.5Å
142F46.1Very low43.3Very low101 Ų101103.8 Ų103.844%0.44360%0.6SS.*G310 helixtrans-68.1-31.7177.5-160.6-99.4000113.8F62 L140 S144 N145 F146F62-F142 HydrophobicContact CE1-CD1 4.46Å; F62-F142 AromaticContact CE1-CE1 3.9Å; F62-F142 HydrophobicContact CE1-CE1 3.9Å; F62-F142 HydrophobicContact CZ-CD1 4.04Å; F62-F142 AromaticContact CZ-CE1 3.94Å; F62-F142 HydrophobicContact CZ-CE1 3.94Å; L140-F142 PolarHBondContact O-N 3.35Å; F142-S144 PolarHBondContact O-N 2.81Å; F142-N145 PolarHBondContact O-N 3.08Å; F142-F146 HydrophobicContact CE1-CD2 4.39Å; F142-F146 AromaticContact CE1-CE2 3.88Å; F142-F146 HydrophobicContact CE1-CE2 3.88Å; F142-F146 HydrophobicContact CZ-CE2 4.39Å
143L43.4Very low44Very low60 Ų60102.6 Ų102.631%0.31458%0.583SS.*G310 helixtrans-75.7-13.5176.5-66.2177.4000112.6L140 N145 M153L140-L143 HydrophobicContact CB-CB 4.49Å; L140-L143 HydrophobicContact CB-CD1 4.11Å; L140-L143 HydrophobicContact CB-CG 4.12Å; L140-L143 HydrophobicContact CD1-CD1 3.75Å; L140-L143 HydrophobicContact CD1-CG 4.31Å; L140-L143 PolarHBondContact O-N 2.84Å; L143-N145 VanDerWaalsContact C-N 3.27Å; L143-N145 PolarHBondContact O-N 3.06Å; L143-M153 HydrophobicContact CD1-CE 4.08Å; L143-M153 HydrophobicContact CD1-SD 3.71Å; L143-M153 HydrophobicContact CD2-SD 4.32Å
144S42.2Very low45.1Very low80 Ų80104.7 Ų104.756%0.55959%0.585SS**G310 helixtrans-72.1-20.1174.7-54.30000113.2P141 F142P141-S144 WeakPolarHBondContact O-CB 3.14Å; P141-S144 PolarHBondContact O-N 3.5Å; F142-S144 PolarHBondContact O-N 2.81Å
145N37.5Very low46Very low149 Ų149102.1 Ų102.180%0.79757%0.567SS**SBendtrans-89.8-16.9177.8-98.850.1000113.7F142 L143 G147F142-N145 PolarHBondContact O-N 3.08Å; L143-N145 VanDerWaalsContact C-N 3.27Å; L143-N145 PolarHBondContact O-N 3.06Å; N145-G147 PolarHBondContact O-N 3.24Å; N145-G147 VanDerWaalsContact O-N 3.15Å
146F36.7Very low47.8Very low136 Ų136100.8 Ų100.860%0.59656%0.555SS**  trans-8860.4168.7-80.8-86.2000109.6F62 F142F62-F146 HydrophobicContact CE1-CE2 4.46Å; F142-F146 HydrophobicContact CE1-CD2 4.39Å; F142-F146 AromaticContact CE1-CE2 3.88Å; F142-F146 HydrophobicContact CE1-CE2 3.88Å; F142-F146 HydrophobicContact CZ-CE2 4.39Å
147G35.7Very low49.6Very low58 Ų58100.3 Ų100.360%0.59856%0.556SS**THydrogen-bonded Turntrans-61.5134.2163.400000109.4N145N145-G147 PolarHBondContact O-N 3.24Å; N145-G147 VanDerWaalsContact O-N 3.15Å
148S45.3Very low51.6Low126 Ų126100.6 Ų100.688%0.88155%0.547SS*.THydrogen-bonded Turntrans101.811.2168.9-49.10000118.8D150S148-D150 PolarHBondContact O-N 2.91Å
149A46Very low53.4Low85 Ų8597.7 Ų97.770%0.70254%0.537SS*.  trans-75.1116.9151.200000107.3G151A149-G151 PolarHBondContact O-N 2.8Å
150D53.1Low55.3Low180 Ų18099 Ų9996%0.96354%0.542SS*.SBendtrans-68.335-169-121.9-21.2000114.9S148S148-D150 PolarHBondContact O-N 2.91Å
151G50.9Low57Low33 Ų3398.1 Ų98.134%0.3455%0.547SS..SBendtrans-148.5110.8175.500000108.9A149 M153A149-G151 PolarHBondContact O-N 2.8Å; G151-M153 PolarHBondContact O-N 3.45Å
152D60.3Low58.8Low60 Ų6096.5 Ų96.532%0.32153%0.534SS..  trans-58.6113.8167.7-172.3-2.6000108Q154 N155D152-Q154 PolarHBondContact O-N 2.8Å; D152-Q154 VanDerWaalsContact OD1-CB 3.25Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.33Å; D152-Q154 WeakPolarHBondContact OD1-CG 3.24Å; D152-Q154 PolarHBondContact OD1-N 3.4Å; D152-Q154 VanDerWaalsContact OD1-N 3.09Å; D152-N155 WeakPolarHBondContact O-CB 3.19Å; D152-N155 PolarHBondContact O-N 3.38Å
153M53Low60.8Low85 Ų8596.6 Ų96.642%0.41953%0.534SS..G310 helixtrans-59-18.2178.8-69.1-179.469.600111.5L143 G151 N155 F156 F158L143-M153 HydrophobicContact CD1-CE 4.08Å; L143-M153 HydrophobicContact CD1-SD 3.71Å; L143-M153 HydrophobicContact CD2-SD 4.32Å; G151-M153 PolarHBondContact O-N 3.45Å; M153-N155 PolarHBondContact O-N 3.4Å; M153-F156 PolarHBondContact O-N 2.85Å; M153-F158 HydrophobicContact CE-CE2 4.47Å; M153-F158 HydrophobicContact CE-CZ 4.43Å
154Q60.6Low62.7Low113 Ų11397.7 Ų97.753%0.52854%0.54SS..G310 helixtrans-66.3-15174.5-59.8173.117.800113.6D152 F156D152-Q154 PolarHBondContact O-N 2.8Å; D152-Q154 VanDerWaalsContact OD1-CB 3.25Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.33Å; D152-Q154 WeakPolarHBondContact OD1-CG 3.24Å; D152-Q154 PolarHBondContact OD1-N 3.4Å; D152-Q154 VanDerWaalsContact OD1-N 3.09Å; Q154-F156 VanDerWaalsContact C-N 3.28Å
155N63.2Low64.6Low78 Ų7898.9 Ų98.942%0.41754%0.537SS..G310 helixtrans-84.1-1.1175.3-65.9-34.3000113.4D152 M153D152-N155 WeakPolarHBondContact O-CB 3.19Å; D152-N155 PolarHBondContact O-N 3.38Å; M153-N155 PolarHBondContact O-N 3.4Å
156F76Confident66.8Low113 Ų11394.9 Ų94.950%0.49651%0.512SS..  trans-114.6138.3-175.9-61.4-87.9000111.5M153 Q154 F158M153-F156 PolarHBondContact O-N 2.85Å; Q154-F156 VanDerWaalsContact C-N 3.28Å; F156-F158 HydrophobicContact CB-CD1 4.44Å; F156-F158 HydrophobicContact CB-CD2 4.37Å; F156-F158 HydrophobicContact CB-CE1 3.72Å; F156-F158 HydrophobicContact CB-CE2 3.63Å; F156-F158 HydrophobicContact CB-CZ 3.26Å; F156-F158 HydrophobicContact CD2-CZ 4.34Å; F156-F158 HydrophobicContact CG-CE1 4.37Å; F156-F158 AromaticContact CG-CZ 3.95Å; F156-F158 HydrophobicContact CG-CZ 3.95Å
157V80.6Confident69Low59 Ų5991.2 Ų91.236%0.35850%0.499SS..  trans-102.8109.8174.6177.70000108.4N159 M162 F163 F166V157-N159 WeakPolarHBondContact CG1-O 3.38Å; V157-M162 HydrophobicContact CG1-CB 4.17Å; V157-F163 VanDerWaalsContact CG1-CA 3.43Å; V157-F163 HydrophobicContact CG1-CB 3.58Å; V157-F163 HydrophobicContact CG1-CD2 4.16Å; V157-F163 HydrophobicContact CG1-CG 4.38Å; V157-F163 VanDerWaalsContact CG1-N 3.31Å; V157-F166 HydrophobicContact CG2-CB 4.05Å; V157-F166 HydrophobicContact CG2-CD1 4.17Å; V157-F166 HydrophobicContact CG2-CG 4.01Å
158F82.7Confident71.1Confident115 Ų11592.2 Ų92.250%0.50449%0.493SS..  trans-99-12.4-174.6-59.3-69.6000114.6M153 F156 M162M153-F158 HydrophobicContact CE-CE2 4.47Å; M153-F158 HydrophobicContact CE-CZ 4.43Å; F156-F158 HydrophobicContact CB-CD1 4.44Å; F156-F158 HydrophobicContact CB-CD2 4.37Å; F156-F158 HydrophobicContact CB-CE1 3.72Å; F156-F158 HydrophobicContact CB-CE2 3.63Å; F156-F158 HydrophobicContact CB-CZ 3.26Å; F156-F158 HydrophobicContact CD2-CZ 4.34Å; F156-F158 HydrophobicContact CG-CE1 4.37Å; F156-F158 AromaticContact CG-CZ 3.95Å; F156-F158 HydrophobicContact CG-CZ 3.95Å; F158-M162 HydrophobicContact CB-CE 4.15Å; F158-M162 HydrophobicContact CD2-CE 3.66Å; F158-M162 HydrophobicContact CG-CE 4.35Å
159N80.1Confident72.9Confident71 Ų7188 Ų8838%0.3846%0.462SS..SBendtrans-149.3164.9178.966.445.7000111.3V157 A161 M162 F163V157-N159 WeakPolarHBondContact CG1-O 3.38Å; N159-A161 VanDerWaalsContact C-N 3.32Å; N159-A161 PolarHBondContact O-N 3.43Å; N159-A161 PolarHBondContact OD1-N 3.25Å; N159-M162 PolarHBondContact O-N 2.95Å; N159-M162 WeakPolarHBondContact OD1-CB 3.45Å; N159-M162 WeakPolarHBondContact OD1-CG 3.44Å; N159-M162 PolarHBondContact OD1-N 3.25Å; N159-F163 PolarHBondContact O-N 2.91Å
160R81.6Confident74.5Confident208 Ų20885.4 Ų85.479%0.78544%0.436SS*.Hα-helixtrans-61.2-36.2-178.3-175.1174.7174.1170.2-0.1113.3F163 D164R160-F163 WeakPolarHBondContact O-CB 3.32Å; R160-F163 PolarHBondContact O-N 3.12Å; R160-D164 PolarHBondContact O-N 3.07Å
161A81.3Confident75.6Confident68 Ų6882 Ų8256%0.56242%0.416SS*.Hα-helixtrans-66.5-41.1178.100000112.1N159 F163 D164 Q165N159-A161 VanDerWaalsContact C-N 3.32Å; N159-A161 PolarHBondContact O-N 3.43Å; N159-A161 PolarHBondContact OD1-N 3.25Å; A161-F163 VanDerWaalsContact C-N 3.3Å; A161-D164 PolarHBondContact O-N 3.21Å; A161-Q165 PolarHBondContact O-N 3.05Å
162M79.5Confident76.9Confident49 Ų4985.6 Ų85.624%0.24143%0.427CS..Hα-helixtrans-67.7-32.6172.9-71.3-137.8-60.200111.5F138 V157 F158 N159 Q165 F166F138-M162 HydrophobicContact CD2-SD 4.21Å; F138-M162 HydrophobicContact CE2-CG 4.41Å; V157-M162 HydrophobicContact CG1-CB 4.17Å; F158-M162 HydrophobicContact CB-CE 4.15Å; F158-M162 HydrophobicContact CD2-CE 3.66Å; F158-M162 HydrophobicContact CG-CE 4.35Å; N159-M162 PolarHBondContact O-N 2.95Å; N159-M162 WeakPolarHBondContact OD1-CB 3.45Å; N159-M162 WeakPolarHBondContact OD1-CG 3.44Å; N159-M162 PolarHBondContact OD1-N 3.25Å; M162-Q165 PolarHBondContact O-N 3.38Å; M162-F166 WeakPolarHBondContact O-CB 3.42Å; M162-F166 PolarHBondContact O-N 2.85Å
163F86.6Confident77.5Confident103 Ų10388.1 Ų88.145%0.45244%0.437SS..Hα-helixtrans-61.9-50.5172.9-176-103000110.7V157 N159 R160 A161 Q165 F166 I167V157-F163 VanDerWaalsContact CG1-CA 3.43Å; V157-F163 HydrophobicContact CG1-CB 3.58Å; V157-F163 HydrophobicContact CG1-CD2 4.16Å; V157-F163 HydrophobicContact CG1-CG 4.38Å; V157-F163 VanDerWaalsContact CG1-N 3.31Å; N159-F163 PolarHBondContact O-N 2.91Å; R160-F163 WeakPolarHBondContact O-CB 3.32Å; R160-F163 PolarHBondContact O-N 3.12Å; A161-F163 VanDerWaalsContact C-N 3.3Å; F163-Q165 VanDerWaalsContact C-N 3.29Å; F163-Q165 PolarHBondContact O-N 3.42Å; F163-F166 PolarHBondContact O-N 3Å; F163-F166 VanDerWaalsContact O-N 3.16Å; F163-I167 HydrophobicContact CD1-CG1 4.01Å; F163-I167 HydrophobicContact CD2-CG1 4.36Å; F163-I167 HydrophobicContact CE1-CD1 4.23Å; F163-I167 HydrophobicContact CE1-CG1 3.68Å; F163-I167 HydrophobicContact CE2-CD1 3.99Å; F163-I167 HydrophobicContact CE2-CG1 4.05Å; F163-I167 HydrophobicContact CG-CG1 4.36Å; F163-I167 HydrophobicContact CZ-CD1 3.74Å; F163-I167 HydrophobicContact CZ-CG1 3.7Å; F163-I167 WeakPolarHBondContact O-CB 3.29Å; F163-I167 VanDerWaalsContact O-CG1 3.28Å; F163-I167 WeakPolarHBondContact O-CG1 3.47Å; F163-I167 PolarHBondContact O-N 3.04Å
164D84.6Confident78.1Confident83 Ų8389 Ų8944%0.44444%0.443SS..Hα-helixtrans-61.4-39179.4-68.4-19000111.8R160 A161 T168R160-D164 PolarHBondContact O-N 3.07Å; A161-D164 PolarHBondContact O-N 3.21Å; D164-T168 WeakPolarHBondContact O-CB 3.19Å; D164-T168 PolarHBondContact O-N 3Å; D164-T168 PolarHBondContact O-OG1 3.05Å
165Q80.6Confident78Confident104 Ų10490.1 Ų90.149%0.48645%0.448SS..Hα-helixtrans-67.7-41.9175.1-174.1157.8-8.800112.3A161 M162 F163 T168 V169A161-Q165 PolarHBondContact O-N 3.05Å; M162-Q165 PolarHBondContact O-N 3.38Å; F163-Q165 VanDerWaalsContact C-N 3.29Å; F163-Q165 PolarHBondContact O-N 3.42Å; Q165-T168 WeakPolarHBondContact O-CB 3.41Å; Q165-T168 PolarHBondContact O-N 3.45Å; Q165-V169 WeakPolarHBondContact O-CG2 2.99Å; Q165-V169 PolarHBondContact O-N 3.19Å
166F84.1Confident77.8Confident65 Ų6592.8 Ų92.829%0.28547%0.467SS..Hα-helixtrans-62.8-45.9176.2177.8-104.7000111.7L131 V157 M162 F163 T168 V169 L170L131-F166 HydrophobicContact CD1-CD2 4.16Å; L131-F166 HydrophobicContact CD1-CE2 4.18Å; V157-F166 HydrophobicContact CG2-CB 4.05Å; V157-F166 HydrophobicContact CG2-CD1 4.17Å; V157-F166 HydrophobicContact CG2-CG 4.01Å; M162-F166 WeakPolarHBondContact O-CB 3.42Å; M162-F166 PolarHBondContact O-N 2.85Å; F163-F166 PolarHBondContact O-N 3Å; F163-F166 VanDerWaalsContact O-N 3.16Å; F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 2.67Å; F166-V169 PolarHBondContact O-N 2.78Å; F166-L170 HydrophobicContact CD1-CD1 3.88Å; F166-L170 HydrophobicContact CD1-CG 4.44Å; F166-L170 HydrophobicContact CE1-CD1 3.3Å; F166-L170 HydrophobicContact CE1-CG 4.08Å; F166-L170 HydrophobicContact CE2-CD1 4.43Å; F166-L170 HydrophobicContact CE2-CG 4.42Å; F166-L170 HydrophobicContact CZ-CD1 3.63Å; F166-L170 HydrophobicContact CZ-CD2 4.34Å; F166-L170 HydrophobicContact CZ-CG 4.07Å; F166-L170 WeakPolarHBondContact O-CG 3.48Å; F166-L170 PolarHBondContact O-N 2.7Å
167I83.4Confident77Confident60 Ų6088.8 Ų88.831%0.30846%0.458SS..Hα-helixtrans-60.1-42.6174.4-66.2-61000110.6F163 V169 L170 M171F163-I167 HydrophobicContact CD1-CG1 4.01Å; F163-I167 HydrophobicContact CD2-CG1 4.36Å; F163-I167 HydrophobicContact CE1-CD1 4.23Å; F163-I167 HydrophobicContact CE1-CG1 3.68Å; F163-I167 HydrophobicContact CE2-CD1 3.99Å; F163-I167 HydrophobicContact CE2-CG1 4.05Å; F163-I167 HydrophobicContact CG-CG1 4.36Å; F163-I167 HydrophobicContact CZ-CD1 3.74Å; F163-I167 HydrophobicContact CZ-CG1 3.7Å; F163-I167 WeakPolarHBondContact O-CB 3.29Å; F163-I167 VanDerWaalsContact O-CG1 3.28Å; F163-I167 WeakPolarHBondContact O-CG1 3.47Å; F163-I167 PolarHBondContact O-N 3.04Å; I167-V169 VanDerWaalsContact C-N 3.33Å; I167-V169 PolarHBondContact O-N 3.37Å; I167-L170 PolarHBondContact O-N 3.41Å; I167-M171 HydrophobicContact CG2-CG 4.12Å; I167-M171 WeakPolarHBondContact O-CB 3.34Å; I167-M171 VanDerWaalsContact O-CG 3.26Å; I167-M171 WeakPolarHBondContact O-CG 3.41Å; I167-M171 PolarHBondContact O-N 2.78Å
168T80.3Confident76.2Confident78 Ų7888.3 Ų88.348%0.47946%0.456SS..Hα-helixtrans-60.5-42.5177.6-59.30000111.9D164 Q165 F166 M171 N172D164-T168 WeakPolarHBondContact O-CB 3.19Å; D164-T168 PolarHBondContact O-N 3Å; D164-T168 PolarHBondContact O-OG1 3.05Å; Q165-T168 WeakPolarHBondContact O-CB 3.41Å; Q165-T168 PolarHBondContact O-N 3.45Å; F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 2.67Å; T168-M171 PolarHBondContact O-N 3.46Å; T168-N172 PolarHBondContact O-N 2.83Å; T168-N172 VanDerWaalsContact O-N 3.07Å; T168-N172 PolarHBondContact O-ND2 3.49Å
169V81.6Confident75.2Confident38 Ų3888.1 Ų88.123%0.2347%0.466CS..Hα-helixtrans-65.3-45.7176.3174.90000110.6L131 Q165 F166 I167 M171 N172 E173L131-V169 HydrophobicContact CD2-CB 3.73Å; L131-V169 HydrophobicContact CD2-CG1 3.54Å; L131-V169 HydrophobicContact CD2-CG2 3.68Å; L131-V169 HydrophobicContact CG-CG1 4.2Å; Q165-V169 WeakPolarHBondContact O-CG2 2.99Å; Q165-V169 PolarHBondContact O-N 3.19Å; F166-V169 PolarHBondContact O-N 2.78Å; I167-V169 VanDerWaalsContact C-N 3.33Å; I167-V169 PolarHBondContact O-N 3.37Å; V169-M171 VanDerWaalsContact C-N 3.33Å; V169-M171 PolarHBondContact O-N 2.98Å; V169-N172 PolarHBondContact O-N 2.95Å; V169-N172 VanDerWaalsContact O-N 3.12Å; V169-E173 HydrophobicContact CG1-CG 4.26Å; V169-E173 PolarHBondContact O-N 3.42Å
170L79.7Confident74.5Confident31 Ų3188.7 Ų88.716%0.16247%0.473CS..Hα-helixtrans-60.5-41.6176.3-73-177.9000112.7I129 F166 I167 N172 E173 L174I129-L170 HydrophobicContact CD1-CD2 3.8Å; F166-L170 HydrophobicContact CD1-CD1 3.88Å; F166-L170 HydrophobicContact CD1-CG 4.44Å; F166-L170 HydrophobicContact CE1-CD1 3.3Å; F166-L170 HydrophobicContact CE1-CG 4.08Å; F166-L170 HydrophobicContact CE2-CD1 4.43Å; F166-L170 HydrophobicContact CE2-CG 4.42Å; F166-L170 HydrophobicContact CZ-CD1 3.63Å; F166-L170 HydrophobicContact CZ-CD2 4.34Å; F166-L170 HydrophobicContact CZ-CG 4.07Å; F166-L170 WeakPolarHBondContact O-CG 3.48Å; F166-L170 PolarHBondContact O-N 2.7Å; I167-L170 PolarHBondContact O-N 3.41Å; L170-N172 VanDerWaalsContact C-N 3.27Å; L170-N172 PolarHBondContact O-N 3.26Å; L170-E173 PolarHBondContact O-N 2.93Å; L170-L174 HydrophobicContact CB-CD1 4.43Å; L170-L174 VanDerWaalsContact O-CB 3.25Å; L170-L174 WeakPolarHBondContact O-CB 3.49Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.19Å; L170-L174 PolarHBondContact O-N 3.16Å
171M76.8Confident73.7Confident109 Ų10979.4 Ų79.454%0.53744%0.441SS..Hα-helixtrans-63.7-33.4176.6-72.7-63.5103.300111.8I167 T168 V169 Q175I167-M171 HydrophobicContact CG2-CG 4.12Å; I167-M171 WeakPolarHBondContact O-CB 3.34Å; I167-M171 VanDerWaalsContact O-CG 3.26Å; I167-M171 WeakPolarHBondContact O-CG 3.41Å; I167-M171 PolarHBondContact O-N 2.78Å; T168-M171 PolarHBondContact O-N 3.46Å; V169-M171 VanDerWaalsContact C-N 3.33Å; V169-M171 PolarHBondContact O-N 2.98Å; M171-Q175 VanDerWaalsContact O-CG 3.29Å; M171-Q175 WeakPolarHBondContact O-CG 3.23Å; M171-Q175 PolarHBondContact O-NE2 3.39Å
172N77.9Confident73.3Confident108 Ų10880.1 Ų80.158%0.57844%0.44SS*.Hα-helixtrans-77.3-36.9176.4-75.2-25.4000112.8T168 V169 L170T168-N172 PolarHBondContact O-N 2.83Å; T168-N172 VanDerWaalsContact O-N 3.07Å; T168-N172 PolarHBondContact O-ND2 3.49Å; V169-N172 PolarHBondContact O-N 2.95Å; V169-N172 VanDerWaalsContact O-N 3.12Å; L170-N172 VanDerWaalsContact C-N 3.27Å; L170-N172 PolarHBondContact O-N 3.26Å
173E73Confident73Confident112 Ų11283.9 Ų83.952%0.52346%0.457SS..Hα-helixtrans-77.6-32.9-179.3-69.7-165.6158.800113.2V169 L170 Q175V169-E173 HydrophobicContact CG1-CG 4.26Å; V169-E173 PolarHBondContact O-N 3.42Å; L170-E173 PolarHBondContact O-N 2.93Å; E173-Q175 PolarHBondContact O-N 2.72Å
174L65.1Low72.4Confident104 Ų10482.8 Ų82.855%0.54546%0.462SS..THydrogen-bonded Turntrans-87.23.2-174.6-64.9175.4000114.8L170 V176L170-L174 HydrophobicContact CB-CD1 4.43Å; L170-L174 VanDerWaalsContact O-CB 3.25Å; L170-L174 WeakPolarHBondContact O-CB 3.49Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.19Å; L170-L174 PolarHBondContact O-N 3.16Å; L174-V176 PolarHBondContact O-N 3.34Å
175Q59Low71.8Confident137 Ų13780.5 Ų80.564%0.6446%0.455SS*.THydrogen-bonded Turntrans-68.9-11.4-178-89.6169.351.400114.7M171 E173 G177M171-Q175 VanDerWaalsContact O-CG 3.29Å; M171-Q175 WeakPolarHBondContact O-CG 3.23Å; M171-Q175 PolarHBondContact O-NE2 3.39Å; E173-Q175 PolarHBondContact O-N 2.72Å; Q175-G177 PolarHBondContact O-N 2.94Å
176V59.1Low71.4Confident134 Ų13475.9 Ų75.981%0.81243%0.433SS*.  trans-102.475.5-179.6-165.70000110.2L174L174-V176 PolarHBondContact O-N 3.34Å
177G60.6Low70.9Confident29 Ų2976.5 Ų76.530%0.29945%0.451SS..PPolyproline II helixtrans-64.6163.3162.700000111.3Q175Q175-G177 PolarHBondContact O-N 2.94Å
178P62.3Low70.6Confident49 Ų4980.1 Ų80.132%0.31847%0.471SS..SBendtrans-50.3150.1171.4-24.333.7000111T241 T254P178-T241 HydrophobicContact CG-CG2 3.8Å; P178-T254 HydrophobicContact CG-CG2 4.02Å
179P62.7Low70.5Confident110 Ų11077.4 Ų77.471%0.71445%0.453SS*.PPolyproline II helixtrans-51.7147.3-177.723.3-34.1000110.8A181P179-A181 PolarHBondContact O-N 3.28Å
180P64.4Low70.3Confident83 Ų8379.3 Ų79.354%0.53947%0.466SS..PPolyproline II helixtrans-54.5134.1-17825.1-35.4000109.8K237P180-K237 WeakPolarHBondContact CB-O 3.34Å
181A65.9Low70.5Confident13 Ų1381 Ų8111%0.10748%0.478CS..PPolyproline II helixtrans-59.6140.8178.600000109.1P179 E183 I186 L249P179-A181 PolarHBondContact O-N 3.28Å; A181-E183 PolarHBondContact O-N 2.85Å; A181-I186 HydrophobicContact CB-CD1 4.24Å; A181-I186 HydrophobicContact CB-CG1 4.12Å; A181-L249 HydrophobicContact CB-CD1 4.04Å
182P72.1Confident70.8Confident84 Ų8479.5 Ų79.555%0.54547%0.471SS..PPolyproline II helixtrans-58.8132.6177.324.5-32.2000109.1S184 A185 I186P182-S184 PolarHBondContact O-N 3.05Å; P182-A185 HydrophobicContact CG-CB 3.92Å; P182-A185 PolarHBondContact O-N 2.97Å; P182-I186 PolarHBondContact O-N 3Å
183E73.4Confident71.2Confident128 Ų12878.6 Ų78.660%0.59847%0.473SS*.Hα-helixtrans-54.6-29.5-174.7-64.8-168.4139.900112.8A181 I186 A187 K237A181-E183 PolarHBondContact O-N 2.85Å; E183-I186 PolarHBondContact O-N 3.31Å; E183-A187 PolarHBondContact O-N 3.16Å; E183-K237 IonicContact OE1-NZ 2.98Å; E183-K237 PolarHBondContact OE1-NZ 3.48Å
184S73Confident71.7Confident80 Ų8073.8 Ų73.856%0.55945%0.451SS*.Hα-helixtrans-61-44.5174.158.40000112.8P182 I186 A187 D188P182-S184 PolarHBondContact O-N 3.05Å; S184-I186 PolarHBondContact O-N 2.92Å; S184-A187 PolarHBondContact O-N 3.21Å; S184-D188 VanDerWaalsContact O-CG 3.27Å; S184-D188 PolarHBondContact O-N 3.41Å; S184-D188 VanDerWaalsContact O-N 3.13Å
185A72.1Confident72.6Confident35 Ų3572.4 Ų72.429%0.28945%0.447SS..Hα-helixtrans-67.6-25178.700000112.4P182P182-A185 HydrophobicContact CG-CB 3.92Å; P182-A185 PolarHBondContact O-N 2.97Å
186I73.8Confident73.7Confident6 Ų672.1 Ų72.13%0.03145%0.446CS..Hα-helixtrans-76.5-41.7175.1-53.5172.2000110.2A181 P182 E183 S184 D188 L189 T233 L236 K237A181-I186 HydrophobicContact CB-CD1 4.24Å; A181-I186 HydrophobicContact CB-CG1 4.12Å; P182-I186 PolarHBondContact O-N 3Å; E183-I186 PolarHBondContact O-N 3.31Å; S184-I186 PolarHBondContact O-N 2.92Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 3.44Å; I186-L189 WeakPolarHBondContact O-CB 3.5Å; I186-L189 WeakPolarHBondContact O-CG 3.26Å; I186-L189 PolarHBondContact O-N 3.08Å; I186-T233 HydrophobicContact CG2-CG2 4.14Å; I186-L236 HydrophobicContact CD1-CB 3.72Å; I186-L236 HydrophobicContact CG1-CB 4.03Å; I186-L236 HydrophobicContact CG1-CD1 4.39Å; I186-L236 HydrophobicContact CG2-CB 4.38Å; I186-L236 HydrophobicContact CG2-CD1 4.1Å; I186-K237 HydrophobicContact CD1-CG 4.18Å
187A73.5Confident74.9Confident79 Ų7973.5 Ų73.565%0.65344%0.444SS*.Hα-helixtrans-66-31179.600000112.9E183 S184 L189E183-A187 PolarHBondContact O-N 3.16Å; S184-A187 PolarHBondContact O-N 3.21Å; A187-L189 PolarHBondContact O-N 3.27Å
188D76.8Confident76Confident136 Ų13676.3 Ų76.373%0.72745%0.449SS*.THydrogen-bonded Turntrans-77-3.3179.9-66.5-25.7000113.7S184 I186S184-D188 VanDerWaalsContact O-CG 3.27Å; S184-D188 PolarHBondContact O-N 3.41Å; S184-D188 VanDerWaalsContact O-N 3.13Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 3.44Å
189L78.2Confident76.9Confident21 Ų2174.4 Ų74.411%0.1144%0.437CS..SBendtrans-69.2141.9-179.2-68.9174.2000111.7I186 A187 T191 I219 L221 L236 L249I186-L189 WeakPolarHBondContact O-CB 3.5Å; I186-L189 WeakPolarHBondContact O-CG 3.26Å; I186-L189 PolarHBondContact O-N 3.08Å; A187-L189 PolarHBondContact O-N 3.27Å; L189-T191 PolarHBondContact O-N 3.18Å; L189-T191 PolarHBondContact O-OG1 3.09Å; L189-I219 HydrophobicContact CB-CD1 4.41Å; L189-I219 HydrophobicContact CB-CG2 3.79Å; L189-I219 HydrophobicContact CD1-CG2 3.99Å; L189-I219 HydrophobicContact CG-CG2 4.46Å; L189-L221 HydrophobicContact CD1-CD2 3.96Å; L189-L236 HydrophobicContact CD1-CD1 3.79Å; L189-L249 HydrophobicContact CD1-CD2 4.27Å
190P77.6Confident77.8Confident78 Ų7876.1 Ų76.151%0.50644%0.439SS..  trans-64.3107.4-178.926.8-33.9000109.9
191T83.4Confident78.8Confident67 Ų6781.1 Ų81.141%0.41145%0.453SS..EExtended strand (participates in β ladder)trans-88.1122.1171.8-57.10000108.3L189 V218L189-T191 PolarHBondContact O-N 3.18Å; L189-T191 PolarHBondContact O-OG1 3.09Å; T191-V218 WeakPolarHBondContact CA-O 3.41Å
192I84.2Confident79.6Confident76 Ų7683.8 Ų83.839%0.3947%0.465SS..EExtended strand (participates in β ladder)trans-115.1129.9-179.4-56.3169.3000107V218I192-V218 HydrophobicContact CB-CG2 4.37Å; I192-V218 PolarHBondContact N-O 3.4Å; I192-V218 WeakPolarHBondContact O-CG2 3.37Å; I192-V218 PolarHBondContact O-N 2.99Å
193S85.4Confident80.2Confident89 Ų8981.4 Ų81.462%0.62246%0.456SS*.EExtended strand (participates in β ladder)trans-86.3123.4168.254.60000109.2
194L82.5Confident81.1Confident11 Ų1180 Ų806%0.05845%0.451CS..PPolyproline II helixtrans-78.6139.5-176-64.1176.7000112.5Q198 A199 L202 F212 S215 E216 V218L194-Q198 HydrophobicContact CD2-CB 3.92Å; L194-A199 HydrophobicContact CD1-CB 4.48Å; L194-L202 HydrophobicContact CD1-CD1 3.43Å; L194-L202 VanDerWaalsContact CD1-CD1 3.43Å; L194-L202 HydrophobicContact CD2-CD1 3.3Å; L194-L202 HydrophobicContact CG-CD1 4Å; L194-F212 HydrophobicContact CD1-CB 3.84Å; L194-F212 HydrophobicContact CD1-CD1 4.18Å; L194-F212 HydrophobicContact CD1-CG 4.04Å; L194-S215 PolarHBondContact O-N 3.14Å; L194-E216 PolarHBondContact N-O 3.49Å; L194-V218 HydrophobicContact CD1-CB 4.28Å; L194-V218 HydrophobicContact CD1-CG1 3.46Å; L194-V218 VanDerWaalsContact CD1-CG1 3.46Å; L194-V218 HydrophobicContact CD1-CG2 3.84Å; L194-V218 HydrophobicContact CD2-CG2 3.65Å; L194-V218 HydrophobicContact CG-CB 4.43Å; L194-V218 HydrophobicContact CG-CG1 3.97Å; L194-V218 HydrophobicContact CG-CG2 3.59Å
195T84.6Confident82.1Confident76 Ų7676.2 Ų76.247%0.46643%0.425SS..PPolyproline II helixtrans-80.1156.8161.259.60000109.8E197 Q198 A199T195-E197 VanDerWaalsContact C-N 3.26Å; T195-E197 PolarHBondContact O-N 3.27Å; T195-Q198 WeakPolarHBondContact O-CB 3.41Å; T195-Q198 PolarHBondContact O-N 2.83Å; T195-Q198 VanDerWaalsContact OG1-CG 3.28Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.28Å; T195-A199 PolarHBondContact O-N 3.41Å
196E82.8Confident83Confident130 Ų13076.8 Ų76.861%0.60743%0.427SS*.Hα-helixtrans-50.8-44.4179.4-170.5-176.8177.900112.4Q198 A199 L200E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.24Å; E196-A199 PolarHBondContact O-N 3.38Å; E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.23Å
197E83.5Confident83.9Confident164 Ų16479 Ų7977%0.76644%0.438SS*.Hα-helixtrans-61.5-33.6177.2-60.7-176.8174.100113.8T195T195-E197 VanDerWaalsContact C-N 3.26Å; T195-E197 PolarHBondContact O-N 3.27Å
198Q83.3Confident84.9Confident88 Ų8877.3 Ų77.341%0.41142%0.421SS..Hα-helixtrans-78.8-37.5179.2-68.2172.9-4.100111L194 T195 E196 L200 K201 L202L194-Q198 HydrophobicContact CD2-CB 3.92Å; T195-Q198 WeakPolarHBondContact O-CB 3.41Å; T195-Q198 PolarHBondContact O-N 2.83Å; T195-Q198 VanDerWaalsContact OG1-CG 3.28Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.28Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.24Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.22Å; Q198-K201 PolarHBondContact O-N 3.3Å; Q198-K201 VanDerWaalsContact O-N 3.1Å; Q198-L202 WeakPolarHBondContact O-CG 3.49Å; Q198-L202 PolarHBondContact O-N 3.36Å; Q198-L202 VanDerWaalsContact O-N 3.14Å
199A81.2Confident85.7Confident8 Ų878.4 Ų78.47%0.06642%0.419CS..Hα-helixtrans-57.8-46.4176.500000111.3L194 T195 E196 K201 L202 F212L194-A199 HydrophobicContact CD1-CB 4.48Å; T195-A199 PolarHBondContact O-N 3.41Å; E196-A199 PolarHBondContact O-N 3.38Å; A199-K201 PolarHBondContact O-N 3.48Å; A199-L202 PolarHBondContact O-N 2.93Å; A199-F212 HydrophobicContact CB-CB 4.18Å
200L81.9Confident86.4Confident146 Ų14682 Ų8276%0.76444%0.439SS*.Hα-helixtrans-62.9-24176.8-65.8172.8000113.9E196 Q198E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.23Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.22Å
201K85.5Confident87Confident188 Ų18883.4 Ų83.482%0.81744%0.442SS*.Hα-helixtrans-90.9-25.7-177.1-169.2175-178.4178.40113.7Q198 A199Q198-K201 PolarHBondContact O-N 3.3Å; Q198-K201 VanDerWaalsContact O-N 3.1Å; A199-K201 PolarHBondContact O-N 3.48Å
202L82.1Confident87.3Confident69 Ų6980.8 Ų80.836%0.36143%0.425SS..Hα-helixtrans-79.9-19-173-74.1165.2000113.6L194 Q198 A199 F212 T226L194-L202 HydrophobicContact CD1-CD1 3.43Å; L194-L202 VanDerWaalsContact CD1-CD1 3.43Å; L194-L202 HydrophobicContact CD2-CD1 3.3Å; L194-L202 HydrophobicContact CG-CD1 4Å; Q198-L202 WeakPolarHBondContact O-CG 3.49Å; Q198-L202 PolarHBondContact O-N 3.36Å; Q198-L202 VanDerWaalsContact O-N 3.14Å; A199-L202 PolarHBondContact O-N 2.93Å; L202-F212 HydrophobicContact CB-CD2 3.62Å; L202-F212 HydrophobicContact CB-CE2 3.81Å; L202-T226 HydrophobicContact CD1-CG2 4.33Å; L202-T226 HydrophobicContact CD2-CG2 4.28Å
203G85.9Confident87.5Confident34 Ų3483.4 Ų83.435%0.35143%0.434SS..  trans81.6-135.1178.900000112.6F212G203-F212 WeakPolarHBondContact O-CD2 3.12Å
204I91.2Very high87.5Confident99 Ų9985.2 Ų85.251%0.50843%0.432SS..BIsolated β-bridgetrans-111.7141.6-171.7-64.8163.1000110.6S206 F209 D211I204-S206 PolarHBondContact O-N 3.06Å; I204-F209 WeakPolarHBondContact CG2-O 3.34Å; I204-D211 WeakPolarHBondContact CG1-OD1 3.48Å
205C94.5Very high87.5Confident0 Ų089.8 Ų89.80%047%0.465CS..  trans-71.6116.4170.7179.80000110.8I207 C208 F209 D210 F212 H228C205-I207 PolarHBondContact O-N 3.34Å; C205-C208 PolarHBondContact O-N 3.29Å; C205-F209 VanDerWaalsContact O-CA 3.23Å; C205-F209 WeakPolarHBondContact O-CA 3.49Å; C205-F209 PolarHBondContact O-N 3.39Å; C205-D210 PolarHBondContact N-O 2.95Å; C205-F212 HydrophobicContact CB-CE1 4.19Å; C205-F212 HydrophobicContact CB-CZ 4.03Å; C205-H228 VanDerWaalsContact CB-CE1 3.41Å; C205-H228 WeakPolarHBondContact CB-CE1 3.34Å; C205-H228 WeakPolarHBondContact CB-ND1 3.39Å
206S91.5Very high87.6Confident48 Ų4889 Ų8934%0.33646%0.456SS..THydrogen-bonded Turntrans-712-176.383.90000115.5I204 Y227I204-S206 PolarHBondContact O-N 3.06Å; S206-Y227 WeakPolarHBondContact OG-CE1 3.37Å
207I93.1Very high87.9Confident52 Ų5284.7 Ų84.727%0.26744%0.441SS..THydrogen-bonded Turntrans-97.6-46.2178.5-61171.6000110.4C205 Y227 C231 W235 P243C205-I207 PolarHBondContact O-N 3.34Å; I207-Y227 HydrophobicContact CD1-CD1 3.59Å; I207-Y227 HydrophobicContact CD1-CE1 4.04Å; I207-Y227 HydrophobicContact CD1-CG 4.09Å; I207-Y227 HydrophobicContact CG1-CD1 3.84Å; I207-Y227 HydrophobicContact CG1-CE1 4.01Å; I207-C231 HydrophobicContact CB-CB 3.98Å; I207-C231 HydrophobicContact CD1-CB 3.91Å; I207-C231 HydrophobicContact CG2-CB 3.96Å; I207-W235 HydrophobicContact CD1-CB 4.15Å; I207-P243 HydrophobicContact CD1-CG 4.1Å; I207-P243 HydrophobicContact CG1-CG 4.12Å
208C94.3Very high88.4Confident43 Ų4377 Ų7729%0.29141%0.405SS..THydrogen-bonded Turntrans-103.1-10.3178.564.20000113.9C205 D210 H228C205-C208 PolarHBondContact O-N 3.29Å; C208-D210 PolarHBondContact O-N 3.4Å; C208-H228 PolarHBondContact SG-CE1 3.42Å; C208-H228 PolarHBondContact SG-ND1 2.91Å
209F92.7Very high88.7Confident159 Ų15973 Ų7370%0.69739%0.386SS*.  trans61.124.2-175.9-59.1-85.9000114.8I204 C205I204-F209 WeakPolarHBondContact CG2-O 3.34Å; C205-F209 VanDerWaalsContact O-CA 3.23Å; C205-F209 WeakPolarHBondContact O-CA 3.49Å; C205-F209 PolarHBondContact O-N 3.39Å
210D92.7Very high89.2Confident98 Ų9879.1 Ų79.152%0.52441%0.408SS..  trans-104.4153175.2-62.1-47.2000112.5C205 C208C205-D210 PolarHBondContact N-O 2.95Å; C208-D210 PolarHBondContact O-N 3.4Å
211D90.9Very high89.5Confident106 Ų10672.4 Ų72.457%0.56737%0.372SS*.BIsolated β-bridgetrans-70.6146.3172.1-63.4-47.1000111.9I204I204-D211 WeakPolarHBondContact CG1-OD1 3.48Å
212F90.2Very high89.6Confident13 Ų1367.8 Ų67.86%0.05736%0.361CS..  trans-70140172.6-62-73.5000111.2L194 A199 L202 G203 C205 V218 T226 H228L194-F212 HydrophobicContact CD1-CB 3.84Å; L194-F212 HydrophobicContact CD1-CD1 4.18Å; L194-F212 HydrophobicContact CD1-CG 4.04Å; A199-F212 HydrophobicContact CB-CB 4.18Å; L202-F212 HydrophobicContact CB-CD2 3.62Å; L202-F212 HydrophobicContact CB-CE2 3.81Å; G203-F212 WeakPolarHBondContact O-CD2 3.12Å; C205-F212 HydrophobicContact CB-CE1 4.19Å; C205-F212 HydrophobicContact CB-CZ 4.03Å; F212-V218 HydrophobicContact CD1-CG1 3.48Å; F212-V218 VanDerWaalsContact CD1-CG1 3.48Å; F212-V218 HydrophobicContact CE1-CG1 3.64Å; F212-V218 HydrophobicContact CG-CG1 4.46Å; F212-T226 HydrophobicContact CZ-CG2 4.34Å; F212-H228 AromaticContact CD1-CD2 3.51Å; F212-H228 AromaticContact CD1-NE2 3.34Å; F212-H228 VanDerWaalsContact CD1-NE2 3.34Å; F212-H228 WeakPolarHBondContact CD1-NE2 3.42Å; F212-H228 AromaticContact CE1-CD2 3.72Å; F212-H228 AromaticContact CE1-NE2 3.7Å
213K87.5Confident89.9Confident131 Ų13166 Ų6657%0.5736%0.355SS*.  trans-110.9161.3176-56.4174.9-172.5162.10112E216K213-E216 HydrophobicContact CB-CG 4.04Å; K213-E216 PolarHBondContact N-OE2 2.76Å; K213-E216 PolarHBondContact O-N 3.2Å
214E86.3Confident90.1Very high126 Ų12666.8 Ų66.859%0.58936%0.358SS*.THydrogen-bonded Turntrans-56.2145.7170.761173.9179.400110.9E216E214-E216 PolarHBondContact O-N 3.32Å
215S81.8Confident90.1Very high107 Ų10764.9 Ų64.975%0.74835%0.347SS*.THydrogen-bonded Turntrans64.5-0.2-179.676.40000116.7L194L194-S215 PolarHBondContact O-N 3.14Å
216E86.8Confident90Very high59 Ų5966 Ų6628%0.27635%0.354SS..  trans-73.3142.5171.1-71.7-179.9167.900111.1L194 K213 E214 H228L194-E216 PolarHBondContact N-O 3.49Å; K213-E216 HydrophobicContact CB-CG 4.04Å; K213-E216 PolarHBondContact N-OE2 2.76Å; K213-E216 PolarHBondContact O-N 3.2Å; E214-E216 PolarHBondContact O-N 3.32Å; E216-H228 IonicContact OE2-CD2 3.76Å; E216-H228 IonicContact OE2-NE2 3.67Å; E216-H228 PolarHBondContact OE2-NE2 2.94Å
217S89.9Confident90.1Very high41 Ų4163.9 Ų63.929%0.28734%0.338SS..EExtended strand (participates in β ladder)trans-83.2123.4174.4510000109.9Q229S217-Q229 WeakPolarHBondContact O-CB 3.41Å; S217-Q229 PolarHBondContact O-N 3.48Å; S217-Q229 WeakPolarHBondContact OG-CB 3.15Å; S217-Q229 PolarHBondContact OG-OE1 3.22Å
218V92.1Very high90.1Very high3 Ų362.2 Ų62.22%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-117.6150.7174-57.10000110.7T191 I192 L194 F212 T226 Y227T191-V218 WeakPolarHBondContact CA-O 3.41Å; I192-V218 HydrophobicContact CB-CG2 4.37Å; I192-V218 PolarHBondContact N-O 3.4Å; I192-V218 WeakPolarHBondContact O-CG2 3.37Å; I192-V218 PolarHBondContact O-N 2.99Å; L194-V218 HydrophobicContact CD1-CB 4.28Å; L194-V218 HydrophobicContact CD1-CG1 3.46Å; L194-V218 VanDerWaalsContact CD1-CG1 3.46Å; L194-V218 HydrophobicContact CD1-CG2 3.84Å; L194-V218 HydrophobicContact CD2-CG2 3.65Å; L194-V218 HydrophobicContact CG-CB 4.43Å; L194-V218 HydrophobicContact CG-CG1 3.97Å; L194-V218 HydrophobicContact CG-CG2 3.59Å; F212-V218 HydrophobicContact CD1-CG1 3.48Å; F212-V218 VanDerWaalsContact CD1-CG1 3.48Å; F212-V218 HydrophobicContact CE1-CG1 3.64Å; F212-V218 HydrophobicContact CG-CG1 4.46Å; V218-T226 HydrophobicContact CB-CG2 3.88Å; V218-T226 HydrophobicContact CG2-CG2 3.84Å; V218-Y227 CarbonylContact C-O 3.58Å; V218-Y227 VanDerWaalsContact CA-O 3.24Å; V218-Y227 WeakPolarHBondContact CA-O 3.15Å; V218-Y227 WeakPolarHBondContact CB-O 3.35Å
219I90.9Very high90Very high3 Ų363.6 Ų63.62%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-114.5130.1171.1-68170.9000107.4L189 L221 T226 Y227 Q229 V232L189-I219 HydrophobicContact CB-CD1 4.41Å; L189-I219 HydrophobicContact CB-CG2 3.79Å; L189-I219 HydrophobicContact CD1-CG2 3.99Å; L189-I219 HydrophobicContact CG-CG2 4.46Å; I219-L221 HydrophobicContact CG2-CD2 4.29Å; I219-T226 WeakPolarHBondContact O-CA 3.45Å; I219-Y227 PolarHBondContact N-O 3.16Å; I219-Y227 PolarHBondContact O-N 3.37Å; I219-Y227 VanDerWaalsContact O-N 3.09Å; I219-Q229 HydrophobicContact CD1-CB 4.34Å; I219-Q229 HydrophobicContact CD1-CG 3.87Å; I219-Q229 HydrophobicContact CG1-CB 4.41Å; I219-Q229 HydrophobicContact CG1-CG 4.34Å; I219-V232 HydrophobicContact CB-CG1 3.84Å; I219-V232 HydrophobicContact CD1-CG1 3.84Å; I219-V232 HydrophobicContact CG1-CG1 4.3Å; I219-V232 HydrophobicContact CG2-CG1 4.31Å
220R90.6Very high89.9Confident137 Ų13760.7 Ų60.752%0.51733%0.327SS..EExtended strand (participates in β ladder)trans-98.3118.1169.5-176.4176.8179.2-173-3108.9
221L89.9Confident90Very high5 Ų557 Ų573%0.02631%0.308CS..  trans-72160.4176.2-65-176.7000111.3L189 I219 C223 A224 H225 Y227 V232 L236 C242 L249L189-L221 HydrophobicContact CD1-CD2 3.96Å; I219-L221 HydrophobicContact CG2-CD2 4.29Å; L221-C223 PolarHBondContact O-N 2.84Å; L221-C223 VanDerWaalsContact O-N 3.08Å; L221-A224 WeakPolarHBondContact O-CA 3.48Å; L221-A224 PolarHBondContact O-N 3Å; L221-H225 PolarHBondContact N-O 3.31Å; L221-Y227 HydrophobicContact CD1-CD2 4.21Å; L221-Y227 HydrophobicContact CD1-CE2 3.79Å; L221-Y227 HydrophobicContact CG-CD2 4.35Å; L221-Y227 HydrophobicContact CG-CE2 4.3Å; L221-V232 HydrophobicContact CD1-CG2 4.29Å; L221-V232 HydrophobicContact CD2-CG2 4.05Å; L221-V232 HydrophobicContact CG-CG2 4.36Å; L221-L236 HydrophobicContact CD2-CD1 4.21Å; L221-C242 HydrophobicContact CD1-CB 3.99Å; L221-L249 HydrophobicContact CD2-CD2 3.82Å
222P86.6Confident90Very high90 Ų9051.9 Ų51.958%0.58428%0.281SS*.THydrogen-bonded Turntrans-57.8-23.7176.1-2838000114.3A224 L249P222-A224 PolarHBondContact O-N 3.42Å; P222-L249 WeakPolarHBondContact CG-O 3.46Å
223C89.1Confident90Very high33 Ų3353.2 Ų53.222%0.22329%0.29CS..THydrogen-bonded Turntrans-79.77.7173.962.70000114.6L221 H225 C245 K247L221-C223 PolarHBondContact O-N 2.84Å; L221-C223 VanDerWaalsContact O-N 3.08Å; C223-H225 VanDerWaalsContact C-N 3.28Å; C223-H225 PolarHBondContact O-N 3.4Å; C223-H225 PolarHBondContact SG-ND1 3.44Å; C223-C245 WeakPolarHBondContact CB-SG 3.22Å; C223-C245 VanDerWaalsContact SG-SG 3.62Å; C223-K247 HydrophobicContact CB-CD 4.36Å
224A88.8Confident90.1Very high50 Ų5050.9 Ų50.941%0.41329%0.287SS..SBendtrans71.2-0.7-178.600000117.3L221 P222L221-A224 WeakPolarHBondContact O-CA 3.48Å; L221-A224 PolarHBondContact O-N 3Å; P222-A224 PolarHBondContact O-N 3.42Å
225H91.4Very high90.4Very high59 Ų5948.6 Ų48.627%0.27327%0.273SS..  trans-73.7142.3170.3-60.3110.4000111.6L221 C223 Y227 C242 V244L221-H225 PolarHBondContact N-O 3.31Å; C223-H225 VanDerWaalsContact C-N 3.28Å; C223-H225 PolarHBondContact O-N 3.4Å; C223-H225 PolarHBondContact SG-ND1 3.44Å; H225-Y227 HydrophobicContact CB-CE2 3.63Å; H225-C242 PolarHBondContact ND1-SG 3.41Å; H225-V244 WeakPolarHBondContact NE2-CG1 3.38Å
226T92.1Very high90.7Very high24 Ų2443.6 Ų43.615%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-120.9140.7-174.2-52.70000110.3L202 F212 V218 I219L202-T226 HydrophobicContact CD1-CG2 4.33Å; L202-T226 HydrophobicContact CD2-CG2 4.28Å; F212-T226 HydrophobicContact CZ-CG2 4.34Å; V218-T226 HydrophobicContact CB-CG2 3.88Å; V218-T226 HydrophobicContact CG2-CG2 3.84Å; I219-T226 WeakPolarHBondContact O-CA 3.45Å
227Y94.5Very high90.6Very high3 Ų345.6 Ų45.61%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-146.8159.1-176-57.7-80.5000110.8S206 I207 V218 I219 L221 H225 Q229 V232 C242 P243 V244S206-Y227 WeakPolarHBondContact OG-CE1 3.37Å; I207-Y227 HydrophobicContact CD1-CD1 3.59Å; I207-Y227 HydrophobicContact CD1-CE1 4.04Å; I207-Y227 HydrophobicContact CD1-CG 4.09Å; I207-Y227 HydrophobicContact CG1-CD1 3.84Å; I207-Y227 HydrophobicContact CG1-CE1 4.01Å; V218-Y227 CarbonylContact C-O 3.58Å; V218-Y227 VanDerWaalsContact CA-O 3.24Å; V218-Y227 WeakPolarHBondContact CA-O 3.15Å; V218-Y227 WeakPolarHBondContact CB-O 3.35Å; I219-Y227 PolarHBondContact N-O 3.16Å; I219-Y227 PolarHBondContact O-N 3.37Å; I219-Y227 VanDerWaalsContact O-N 3.09Å; L221-Y227 HydrophobicContact CD1-CD2 4.21Å; L221-Y227 HydrophobicContact CD1-CE2 3.79Å; L221-Y227 HydrophobicContact CG-CD2 4.35Å; L221-Y227 HydrophobicContact CG-CE2 4.3Å; H225-Y227 HydrophobicContact CB-CE2 3.63Å; Y227-Q229 PolarHBondContact O-N 2.98Å; Y227-V232 HydrophobicContact CD2-CB 4.25Å; Y227-V232 HydrophobicContact CD2-CG2 4Å; Y227-V232 HydrophobicContact CG-CB 4.18Å; Y227-V232 HydrophobicContact CG-CG2 4.4Å; Y227-C242 PolarHBondContact OH-SG 3.49Å; Y227-C242 VanDerWaalsContact OH-SG 3.39Å; Y227-P243 HydrophobicContact CE1-CG 4.23Å; Y227-V244 VanDerWaalsContact OH-CG2 3.28Å; Y227-V244 WeakPolarHBondContact OH-CG2 3.28Å
228H93.9Very high90.3Very high17 Ų1749.6 Ų49.68%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-57.2140166.3-55.4121.2000109.8C205 C208 F212 E216 T230 C231 V232C205-H228 VanDerWaalsContact CB-CE1 3.41Å; C205-H228 WeakPolarHBondContact CB-CE1 3.34Å; C205-H228 WeakPolarHBondContact CB-ND1 3.39Å; C208-H228 PolarHBondContact SG-CE1 3.42Å; C208-H228 PolarHBondContact SG-ND1 2.91Å; F212-H228 AromaticContact CD1-CD2 3.51Å; F212-H228 AromaticContact CD1-NE2 3.34Å; F212-H228 VanDerWaalsContact CD1-NE2 3.34Å; F212-H228 WeakPolarHBondContact CD1-NE2 3.42Å; F212-H228 AromaticContact CE1-CD2 3.72Å; F212-H228 AromaticContact CE1-NE2 3.7Å; E216-H228 IonicContact OE2-CD2 3.76Å; E216-H228 IonicContact OE2-NE2 3.67Å; E216-H228 PolarHBondContact OE2-NE2 2.94Å; H228-T230 PolarHBondContact O-N 3.38Å; H228-C231 HydrophobicContact CB-CB 4.03Å; H228-C231 PolarHBondContact O-N 3.12Å; H228-C231 VanDerWaalsContact O-N 3.11Å; H228-V232 WeakPolarHBondContact O-CG1 3.07Å; H228-V232 PolarHBondContact O-N 3.16Å
229Q91.5Very high89.9Confident71 Ų7152.3 Ų52.333%0.33227%0.272SS..Hα-helixtrans-51.8-44.3178.8-178.8-17920.400111.2S217 I219 Y227 T233S217-Q229 WeakPolarHBondContact O-CB 3.41Å; S217-Q229 PolarHBondContact O-N 3.48Å; S217-Q229 WeakPolarHBondContact OG-CB 3.15Å; S217-Q229 PolarHBondContact OG-OE1 3.22Å; I219-Q229 HydrophobicContact CD1-CB 4.34Å; I219-Q229 HydrophobicContact CD1-CG 3.87Å; I219-Q229 HydrophobicContact CG1-CB 4.41Å; I219-Q229 HydrophobicContact CG1-CG 4.34Å; Y227-Q229 PolarHBondContact O-N 2.98Å; Q229-T233 WeakPolarHBondContact O-CB 3.27Å; Q229-T233 PolarHBondContact O-N 2.91Å; Q229-T233 PolarHBondContact O-OG1 3.42Å
230T91.3Very high89.6Confident98 Ų9852.2 Ų52.260%0.60127%0.272SS*.Hα-helixtrans-64.8-46.2179.151.60000112.4H228 T234H228-T230 PolarHBondContact O-N 3.38Å; T230-T234 WeakPolarHBondContact O-CB 3.25Å; T230-T234 PolarHBondContact O-N 2.89Å; T230-T234 VanDerWaalsContact O-N 3.08Å; T230-T234 PolarHBondContact O-OG1 2.98Å
231C94Very high89.4Confident20 Ų2046.4 Ų46.414%0.13525%0.252CS..Hα-helixtrans-61.6-50.4-178.8-66.50000111.6I207 H228 T234 W235I207-C231 HydrophobicContact CB-CB 3.98Å; I207-C231 HydrophobicContact CD1-CB 3.91Å; I207-C231 HydrophobicContact CG2-CB 3.96Å; H228-C231 HydrophobicContact CB-CB 4.03Å; H228-C231 PolarHBondContact O-N 3.12Å; H228-C231 VanDerWaalsContact O-N 3.11Å; C231-T234 PolarHBondContact O-N 3.3Å; C231-W235 WeakPolarHBondContact O-CB 3.43Å; C231-W235 PolarHBondContact O-N 2.88Å
232V91.8Very high89.4Confident0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-74.8-33.4-176.868.20000112.9I219 L221 Y227 H228 T234 W235 L236I219-V232 HydrophobicContact CB-CG1 3.84Å; I219-V232 HydrophobicContact CD1-CG1 3.84Å; I219-V232 HydrophobicContact CG1-CG1 4.3Å; I219-V232 HydrophobicContact CG2-CG1 4.31Å; L221-V232 HydrophobicContact CD1-CG2 4.29Å; L221-V232 HydrophobicContact CD2-CG2 4.05Å; L221-V232 HydrophobicContact CG-CG2 4.36Å; Y227-V232 HydrophobicContact CD2-CB 4.25Å; Y227-V232 HydrophobicContact CD2-CG2 4Å; Y227-V232 HydrophobicContact CG-CB 4.18Å; Y227-V232 HydrophobicContact CG-CG2 4.4Å; H228-V232 WeakPolarHBondContact O-CG1 3.07Å; H228-V232 PolarHBondContact O-N 3.16Å; V232-T234 VanDerWaalsContact C-N 3.35Å; V232-W235 PolarHBondContact O-N 2.7Å; V232-L236 HydrophobicContact CG2-CD1 3.83Å; V232-L236 HydrophobicContact CG2-CG 4.03Å; V232-L236 WeakPolarHBondContact O-CB 3.47Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.44Å; V232-L236 PolarHBondContact O-N 2.87Å
233T89.6Confident89.5Confident40 Ų4043.9 Ų43.925%0.24524%0.236CC..Hα-helixtrans-63.2-44.1174.4-58.20000110.8I186 Q229 W235 K237I186-T233 HydrophobicContact CG2-CG2 4.14Å; Q229-T233 WeakPolarHBondContact O-CB 3.27Å; Q229-T233 PolarHBondContact O-N 2.91Å; Q229-T233 PolarHBondContact O-OG1 3.42Å; T233-W235 VanDerWaalsContact C-N 3.34Å; T233-K237 VanDerWaalsContact O-CG 3.32Å; T233-K237 WeakPolarHBondContact O-CG 3.14Å; T233-K237 PolarHBondContact O-N 3.33Å
234T90.2Very high89.6Confident82 Ų8246.2 Ų46.250%0.50325%0.249SC..Hα-helixtrans-64.4-41.1177.4-53.90000111.4T230 C231 V232T230-T234 WeakPolarHBondContact O-CB 3.25Å; T230-T234 PolarHBondContact O-N 2.89Å; T230-T234 VanDerWaalsContact O-N 3.08Å; T230-T234 PolarHBondContact O-OG1 2.98Å; C231-T234 PolarHBondContact O-N 3.3Å; V232-T234 VanDerWaalsContact C-N 3.35Å
235W91Very high89.6Confident79 Ų7945.5 Ų45.530%0.29924%0.24SC..Hα-helixtrans-64.7-51.3176.8179.2-92.3000112.5I207 C231 V232 T233 K237 Q238 H239 T241 P243I207-W235 HydrophobicContact CD1-CB 4.15Å; C231-W235 WeakPolarHBondContact O-CB 3.43Å; C231-W235 PolarHBondContact O-N 2.88Å; V232-W235 PolarHBondContact O-N 2.7Å; T233-W235 VanDerWaalsContact C-N 3.34Å; W235-K237 PolarHBondContact O-N 2.88Å; W235-Q238 PolarHBondContact O-N 3.34Å; W235-H239 HydrophobicContact CD2-CB 4.46Å; W235-H239 AromaticContact CH2-CD2 3.71Å; W235-H239 HydrophobicContact CZ2-CB 3.97Å; W235-H239 AromaticContact CZ2-CD2 3.83Å; W235-H239 AromaticContact CZ3-CD2 3.86Å; W235-H239 PolarHBondContact O-N 3.24Å; W235-T241 PolarHBondContact NE1-O 3.04Å; W235-P243 HydrophobicContact CD2-CG 3.99Å; W235-P243 HydrophobicContact CG-CG 4.09Å; W235-P243 HydrophobicContact CZ2-CB 4.24Å; W235-P243 HydrophobicContact CZ2-CG 4.21Å
236L88.5Confident89.4Confident1 Ų149.7 Ų49.71%0.00525%0.254CS..Hα-helixtrans-64.4-25.6-176-72.2175.1000113.7I186 L189 L221 V232 Q238 H239 L249I186-L236 HydrophobicContact CD1-CB 3.72Å; I186-L236 HydrophobicContact CG1-CB 4.03Å; I186-L236 HydrophobicContact CG1-CD1 4.39Å; I186-L236 HydrophobicContact CG2-CB 4.38Å; I186-L236 HydrophobicContact CG2-CD1 4.1Å; L189-L236 HydrophobicContact CD1-CD1 3.79Å; L221-L236 HydrophobicContact CD2-CD1 4.21Å; V232-L236 HydrophobicContact CG2-CD1 3.83Å; V232-L236 HydrophobicContact CG2-CG 4.03Å; V232-L236 WeakPolarHBondContact O-CB 3.47Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.44Å; V232-L236 PolarHBondContact O-N 2.87Å; L236-Q238 PolarHBondContact O-N 3.4Å; L236-H239 WeakPolarHBondContact CA-O 3.3Å; L236-L249 HydrophobicContact CD1-CD1 4.43Å; L236-L249 HydrophobicContact CD1-CD2 4.02Å; L236-L249 HydrophobicContact CD2-CD2 4.03Å; L236-L249 HydrophobicContact CD2-CG 4.45Å
237K85.4Confident89.1Confident101 Ų10152.8 Ų52.844%0.43927%0.265SS..THydrogen-bonded Turntrans-65.5-23.5171.1-77.4-178.6-177.9-128.20113.4P180 E183 I186 T233 W235P180-K237 WeakPolarHBondContact CB-O 3.34Å; E183-K237 IonicContact OE1-NZ 2.98Å; E183-K237 PolarHBondContact OE1-NZ 3.48Å; I186-K237 HydrophobicContact CD1-CG 4.18Å; T233-K237 VanDerWaalsContact O-CG 3.32Å; T233-K237 WeakPolarHBondContact O-CG 3.14Å; T233-K237 PolarHBondContact O-N 3.33Å; W235-K237 PolarHBondContact O-N 2.88Å
238Q82.8Confident88.6Confident126 Ų12654.8 Ų54.859%0.58928%0.276SS*.THydrogen-bonded Turntrans-107-39.5-179.3-61.2-179.328.100111.6W235 L236W235-Q238 PolarHBondContact O-N 3.34Å; L236-Q238 PolarHBondContact O-N 3.4Å
239H84.2Confident88Confident59 Ų5955.4 Ų55.427%0.27328%0.28SS..  trans-134.5106.5-176.6-57.5-57.5000109.1W235 L236 T241W235-H239 HydrophobicContact CD2-CB 4.46Å; W235-H239 AromaticContact CH2-CD2 3.71Å; W235-H239 HydrophobicContact CZ2-CB 3.97Å; W235-H239 AromaticContact CZ2-CD2 3.83Å; W235-H239 AromaticContact CZ3-CD2 3.86Å; W235-H239 PolarHBondContact O-N 3.24Å; L236-H239 WeakPolarHBondContact CA-O 3.3Å; H239-T241 PolarHBondContact O-N 3.4Å
240G83.4Confident87.4Confident1 Ų156.9 Ų56.91%0.0130%0.298CS..SBendtrans-69.428.2-179.800000115.1
241T87.4Confident86.3Confident16 Ų1654.1 Ų54.110%0.09829%0.289CS..BIsolated β-bridgetrans-134.4154.9-175.761.10000111.1P178 W235 H239 K247 T254P178-T241 HydrophobicContact CG-CG2 3.8Å; W235-T241 PolarHBondContact NE1-O 3.04Å; H239-T241 PolarHBondContact O-N 3.4Å; T241-K247 WeakPolarHBondContact CA-O 3.43Å; T241-T254 HydrophobicContact CG2-CG2 4.08Å; T241-T254 VanDerWaalsContact CG2-OG1 3.29Å; T241-T254 WeakPolarHBondContact CG2-OG1 3.17Å
242C90.3Very high85.3Confident2 Ų257.9 Ų57.91%0.01431%0.305CS..  trans-66.2130.8175.81750000111.5L221 H225 Y227 V244 C245 R246 K247L221-C242 HydrophobicContact CD1-CB 3.99Å; H225-C242 PolarHBondContact ND1-SG 3.41Å; Y227-C242 PolarHBondContact OH-SG 3.49Å; Y227-C242 VanDerWaalsContact OH-SG 3.39Å; C242-V244 PolarHBondContact O-N 3.42Å; C242-V244 VanDerWaalsContact O-N 3.13Å; C242-V244 PolarHBondContact SG-N 2.93Å; C242-C245 VanDerWaalsContact CB-SG 3.56Å; C242-C245 VanDerWaalsContact SG-SG 3.61Å; C242-R246 VanDerWaalsContact O-CA 3.27Å; C242-R246 WeakPolarHBondContact O-CA 3.23Å; C242-R246 PolarHBondContact O-N 3.35Å; C242-K247 PolarHBondContact N-O 3.19Å
243P89.3Confident84.2Confident40 Ų4060 Ų6026%0.2632%0.316SS..THydrogen-bonded Turntrans-55.9-30.6177.6-22.127.1000114.4I207 Y227 W235I207-P243 HydrophobicContact CD1-CG 4.1Å; I207-P243 HydrophobicContact CG1-CG 4.12Å; Y227-P243 HydrophobicContact CE1-CG 4.23Å; W235-P243 HydrophobicContact CD2-CG 3.99Å; W235-P243 HydrophobicContact CG-CG 4.09Å; W235-P243 HydrophobicContact CZ2-CB 4.24Å; W235-P243 HydrophobicContact CZ2-CG 4.21Å
244V89.7Confident83.1Confident81 Ų8160.3 Ų60.349%0.49132%0.318SS..THydrogen-bonded Turntrans-91-47.8-173.9177.70000111.8H225 Y227 C242H225-V244 WeakPolarHBondContact NE2-CG1 3.38Å; Y227-V244 VanDerWaalsContact OH-CG2 3.28Å; Y227-V244 WeakPolarHBondContact OH-CG2 3.28Å; C242-V244 PolarHBondContact O-N 3.42Å; C242-V244 VanDerWaalsContact O-N 3.13Å; C242-V244 PolarHBondContact SG-N 2.93Å
245C89.6Confident81.8Confident36 Ų3659.9 Ų59.924%0.24332%0.318CS..THydrogen-bonded Turntrans-111.4-2.1-173.268.30000115.5C223 C242 K247C223-C245 WeakPolarHBondContact CB-SG 3.22Å; C223-C245 VanDerWaalsContact SG-SG 3.62Å; C242-C245 VanDerWaalsContact CB-SG 3.56Å; C242-C245 VanDerWaalsContact SG-SG 3.61Å; C245-K247 HydrophobicContact CB-CG 4.49Å; C245-K247 PolarHBondContact O-N 2.9Å
246R86.8Confident80.2Confident146 Ų14664.7 Ų64.755%0.55134%0.336SS*.  trans5715.3179.2-55.2177.6178.9-120.1-0.4115.1C242 T254C242-R246 VanDerWaalsContact O-CA 3.27Å; C242-R246 WeakPolarHBondContact O-CA 3.23Å; C242-R246 PolarHBondContact O-N 3.35Å; R246-T254 PolarHBondContact O-N 2.73Å; R246-T254 PolarHBondContact O-OG1 3.37Å; R246-T254 VanDerWaalsContact O-OG1 3.05Å
247K85.1Confident78.7Confident89 Ų8973.7 Ų73.739%0.38737%0.372SS..BIsolated β-bridgetrans-76.2139.4170.1-64.1-178.5-179.5-177.70109.8C223 T241 C242 C245 H252 D253C223-K247 HydrophobicContact CB-CD 4.36Å; T241-K247 WeakPolarHBondContact CA-O 3.43Å; C242-K247 PolarHBondContact N-O 3.19Å; C245-K247 HydrophobicContact CB-CG 4.49Å; C245-K247 PolarHBondContact O-N 2.9Å; K247-H252 WeakPolarHBondContact CA-O 3.48Å; K247-D253 HydrophobicContact CG-CB 4.49Å
248D84.5Confident77.1Confident45 Ų4576 Ų7624%0.24138%0.384CS..BIsolated β-bridgetrans-67.2166.3167.9177.538.1000110.7S250 G251 H252 T254D248-S250 PolarHBondContact O-N 2.92Å; D248-S250 WeakPolarHBondContact OD2-CB 3.47Å; D248-S250 PolarHBondContact OD2-N 2.81Å; D248-S250 PolarHBondContact OD2-OG 3.08Å; D248-G251 PolarHBondContact O-N 2.7Å; D248-H252 PolarHBondContact N-O 3.31Å; D248-T254 HydrophobicContact CB-CG2 3.88Å
249L81.8Confident75.5Confident30 Ų3076.2 Ų76.216%0.15739%0.389CS..THydrogen-bonded Turntrans-56.8-26.9173-59.8-178.7000112.4A181 L189 L221 P222 L236 G251A181-L249 HydrophobicContact CB-CD1 4.04Å; L189-L249 HydrophobicContact CD1-CD2 4.27Å; L221-L249 HydrophobicContact CD2-CD2 3.82Å; P222-L249 WeakPolarHBondContact CG-O 3.46Å; L236-L249 HydrophobicContact CD1-CD1 4.43Å; L236-L249 HydrophobicContact CD1-CD2 4.02Å; L236-L249 HydrophobicContact CD2-CD2 4.03Å; L236-L249 HydrophobicContact CD2-CG 4.45Å; L249-G251 PolarHBondContact O-N 3.43Å
250S77.9Confident73.5Confident102 Ų10277.6 Ų77.671%0.71340%0.403SS*.THydrogen-bonded Turntrans-76.4-3174.4-45.80000113.7D248 H252D248-S250 PolarHBondContact O-N 2.92Å; D248-S250 WeakPolarHBondContact OD2-CB 3.47Å; D248-S250 PolarHBondContact OD2-N 2.81Å; D248-S250 PolarHBondContact OD2-OG 3.08Å; S250-H252 VanDerWaalsContact C-N 3.25Å; S250-H252 PolarHBondContact O-N 2.79Å
251G69.2Low71.6Confident41 Ų4181.5 Ų81.542%0.42344%0.435SS..SBendtrans80.7-2.5-176.400000114.8D248 L249D248-G251 PolarHBondContact O-N 2.7Å; L249-G251 PolarHBondContact O-N 3.43Å
252H73.4Confident69.6Low98 Ų9885.6 Ų85.645%0.45446%0.462SS..  trans-70.9131.5174.1-172.7-89000110.4K247 D248 S250 T254K247-H252 WeakPolarHBondContact CA-O 3.48Å; D248-H252 PolarHBondContact N-O 3.31Å; S250-H252 VanDerWaalsContact C-N 3.25Å; S250-H252 PolarHBondContact O-N 2.79Å; H252-T254 PolarHBondContact O-N 3.3Å
253D67.7Low67.2Low44 Ų4491.9 Ų91.924%0.23550%0.496CS..BIsolated β-bridgetrans-76.1108.2173.9-179.83.9000109.3K247 S255 R256K247-D253 HydrophobicContact CG-CB 4.49Å; D253-S255 PolarHBondContact O-N 3.35Å; D253-S255 WeakPolarHBondContact OD1-CB 3.46Å; D253-S255 PolarHBondContact OD1-N 3.45Å; D253-S255 PolarHBondContact OD1-OG 2.82Å; D253-S255 PolarHBondContact OD2-OG 3.02Å; D253-R256 IonicContact OD2-NE 3.91Å
254T66.5Low65Low47 Ų4797.7 Ų97.729%0.28852%0.524SS..THydrogen-bonded Turntrans-84.71.3179.769.90000112.7P178 T241 R246 D248 H252 R256P178-T254 HydrophobicContact CG-CG2 4.02Å; T241-T254 HydrophobicContact CG2-CG2 4.08Å; T241-T254 VanDerWaalsContact CG2-OG1 3.29Å; T241-T254 WeakPolarHBondContact CG2-OG1 3.17Å; R246-T254 PolarHBondContact O-N 2.73Å; R246-T254 PolarHBondContact O-OG1 3.37Å; R246-T254 VanDerWaalsContact O-OG1 3.05Å; D248-T254 HydrophobicContact CB-CG2 3.88Å; H252-T254 PolarHBondContact O-N 3.3Å; T254-R256 VanDerWaalsContact C-N 3.32Å
255S63.1Low62.5Low73 Ų7399.1 Ų99.151%0.5153%0.533SS..THydrogen-bonded Turntrans-76.2-23.4177.372.20000112.6D253 Y257D253-S255 PolarHBondContact O-N 3.35Å; D253-S255 WeakPolarHBondContact OD1-CB 3.46Å; D253-S255 PolarHBondContact OD1-N 3.45Å; D253-S255 PolarHBondContact OD1-OG 2.82Å; D253-S255 PolarHBondContact OD2-OG 3.02Å; S255-Y257 PolarHBondContact O-N 3.2Å
256R57.5Low59.8Low181 Ų181100.4 Ų100.468%0.68355%0.552SS**SBendtrans-83.9110.2172.6-61.3-174.5-177.8-171-3.1108D253 T254 E258D253-R256 IonicContact OD2-NE 3.91Å; T254-R256 VanDerWaalsContact C-N 3.32Å; R256-E258 PolarHBondContact O-N 2.7Å
257Y56.7Low57.2Low190 Ų190100.7 Ų100.775%0.74557%0.565SS**  trans-62.997.6156.9-161.3-103.4000105.4S255 D259 P260S255-Y257 PolarHBondContact O-N 3.2Å; Y257-D259 PolarHBondContact O-N 2.76Å; Y257-P260 HydrophobicContact CE1-CG 4.29Å
258E51.5Low54.8Low149 Ų149101.6 Ų101.670%0.69658%0.582SS**  trans-60.3112.7159.5-67.1-158.5151.900104.3R256R256-E258 PolarHBondContact O-N 2.7Å
259D49Very low52.4Low131 Ų131107 Ų10770%0.70161%0.611SS**  trans-41.3121.6170.6-74.3-49.9000106.5Y257 A261Y257-D259 PolarHBondContact O-N 2.76Å; D259-A261 PolarHBondContact O-N 2.84Å
260P44Very low50Low87 Ų87108.9 Ų108.957%0.56564%0.638SS**  trans-51.7116.9175.717.7-28.4000105Y257 P262Y257-P260 HydrophobicContact CE1-CG 4.29Å; P260-P262 VanDerWaalsContact O-N 3.08Å
261A43Very low48Very low83 Ų83109.7 Ų109.769%0.68664%0.644SS**  trans-38.4123.7-171.100000107.4D259 N263D259-A261 PolarHBondContact O-N 2.84Å; A261-N263 PolarHBondContact O-N 3.35Å
262P45.1Very low46.4Very low103 Ų103113.4 Ų113.467%0.66966%0.663SS**  trans-49.5120.5-172.619.9-31.4000105.3P260 L264P260-P262 VanDerWaalsContact O-N 3.08Å; P262-L264 PolarHBondContact O-N 3.37Å
263N39.5Very low44.9Very low134 Ų134114 Ų11472%0.71768%0.678SS**  trans-63.287-179.6-141.1-49.8000104.6A261 T265A261-N263 PolarHBondContact O-N 3.35Å; N263-T265 PolarHBondContact O-N 3.12Å; N263-T265 WeakPolarHBondContact OD1-CG2 3Å; N263-T265 PolarHBondContact OD1-OG1 3.06Å
264L42.6Very low43.2Very low161 Ų161117.3 Ų117.384%0.84371%0.705SS**  trans-74.346.6169-69.3176000107.1P262 G266P262-L264 PolarHBondContact O-N 3.37Å; L264-G266 PolarHBondContact O-N 2.85Å
265T37.5Very low41.9Very low111 Ų111121.9 Ų121.968%0.68173%0.733SS**  trans-91.656.4153.951.50000106.7N263 N267N263-T265 PolarHBondContact O-N 3.12Å; N263-T265 WeakPolarHBondContact OD1-CG2 3Å; N263-T265 PolarHBondContact OD1-OG1 3.06Å; T265-N267 PolarHBondContact O-N 3.29Å
266G33.2Very low41.1Very low63 Ų63127.6 Ų127.665%0.64977%0.773SS**  trans-65.891.8160.900000107.9L264 S268L264-G266 PolarHBondContact O-N 2.85Å; G266-S268 PolarHBondContact O-N 3.35Å
267N33.1Very low40.2Very low153 Ų153125 Ų12582%0.81878%0.777SS**  trans-12.891.1156-160.945.7000114.4T265T265-N267 PolarHBondContact O-N 3.29Å
268S35.1Very low39.4Very low107 Ų107121.5 Ų121.575%0.74878%0.779SS**  trans-119.556166.759.60000110.1G266G266-S268 PolarHBondContact O-N 3.35Å
269N33.7Very low38.7Very low159 Ų159120 Ų12085%0.8578%0.784SS**  trans-127.775.5163.4-80-15.9000108.5
270G30Very low38.1Very low70 Ų70119.4 Ų119.472%0.72279%0.789SS**  trans-157.564.8178.400000109.9
271S36.8Very low37.7Very low119 Ų119121.4 Ų121.483%0.83280%0.803SS**  trans-154.993.8160-730000108.6
272S35.2Very low37.4Very low118 Ų118123.9 Ų123.983%0.82581%0.81SS**  trans-45.8132.6154.847.40000111.9
273S41.8Very low36.8Very low110 Ų110125.4 Ų125.477%0.76982%0.82SS**  trans-157.2104.6140.245.70000110
274S33.4Very low36.6Very low115 Ų115124.8 Ų124.880%0.80483%0.828SS**  trans-51.8137.8154.41.40000110
275T39.3Very low36.1Very low142 Ų142121.8 Ų121.887%0.87183%0.827SS**  trans-143131.8148.2-11.70000107.7
276S44.6Very low36Very low194 Ų194122.7 Ų122.7100%1.35784%0.841SS**  trans-66.60-167.6-54.40000114.7

Retrieved 276 of 276 residues in 62.9 ms (Link to these results)