G4VSC6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VSC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M32.3Very low42.2Very low243 Ų243123.9 Ų123.9100%1.19766%0.656SS**  0102.10-72.5167106.400109.5
2S35.1Very low42.8Very low111 Ų111120.4 Ų120.478%0.77665%0.649SS**  trans-151.384.8155.7-92.10000104.6R4S2-R4 PolarHBondContact O-N 3.29Å
3N34.6Very low43.2Very low155 Ų155118.5 Ų118.583%0.82964%0.637SS**  trans-69.378.3171.7-147.211.7000105.1N5N3-N5 PolarHBondContact O-N 3.11Å
4R42.9Very low43.7Very low228 Ų228114.9 Ų114.986%0.8664%0.641SS**  trans-64.991.6168.1-78-173-174.2-1772.3103.9S2S2-R4 PolarHBondContact O-N 3.29Å
5N42.2Very low44.1Very low127 Ų127108.3 Ų108.368%0.67960%0.603SS**  trans-41.6122165.6-83.9-22.4000105.3N3 T7N3-N5 PolarHBondContact O-N 3.11Å; N5-T7 PolarHBondContact O-N 2.89Å
6P38.8Very low44.5Very low114 Ų114105.9 Ų105.974%0.7459%0.593SS**  trans-53.1109.8-174.719-30000106T8P6-T8 PolarHBondContact O-N 2.92Å
7T41.9Very low44.9Very low100 Ų100107 Ų10761%0.61359%0.59SS**  trans-50.3112175.719.50000104.2N5 E11N5-T7 PolarHBondContact O-N 2.89Å; T7-E11 HydrophobicContact CG2-CB 4.2Å
8T49.6Very low45.2Very low50 Ų50106.8 Ų106.831%0.30758%0.582SS.*  trans-56148.9-176.451.90000107.7P6 Y10 E11 S12P6-T8 PolarHBondContact O-N 2.92Å; T8-Y10 HydrophobicContact CG2-CE1 3.92Å; T8-Y10 CarbonylContact O-C 3.59Å; T8-Y10 PolarHBondContact O-N 3.31Å; T8-Y10 WeakPolarHBondContact OG1-CD1 3.05Å; T8-Y10 WeakPolarHBondContact OG1-CD2 3.48Å; T8-Y10 WeakPolarHBondContact OG1-CE1 3.28Å; T8-Y10 WeakPolarHBondContact OG1-CE2 3.24Å; T8-Y10 PolarHBondContact OG1-OH 2.9Å; T8-E11 PolarHBondContact N-OE2 2.98Å; T8-E11 PolarHBondContact O-N 2.88Å; T8-E11 WeakPolarHBondContact OG1-CG 3.06Å; T8-E11 PolarHBondContact OG1-OE2 2.86Å; T8-S12 PolarHBondContact O-N 3.36Å
9T54.4Low45.4Very low97 Ų97103.1 Ų103.160%0.59556%0.56SS**THydrogen-bonded Turntrans-50.2-22.2-173.3-45.50000113.9S12T9-S12 PolarHBondContact O-OG 2.89Å
10Y43.1Very low45.6Very low41 Ų41100.5 Ų100.516%0.16154%0.542CS..THydrogen-bonded Turntrans-83.1-37.4176.158.6-100.7000114.5T8 S12 I13 G14 L15 K17 Y20T8-Y10 HydrophobicContact CG2-CE1 3.92Å; T8-Y10 CarbonylContact O-C 3.59Å; T8-Y10 PolarHBondContact O-N 3.31Å; T8-Y10 WeakPolarHBondContact OG1-CD1 3.05Å; T8-Y10 WeakPolarHBondContact OG1-CD2 3.48Å; T8-Y10 WeakPolarHBondContact OG1-CE1 3.28Å; T8-Y10 WeakPolarHBondContact OG1-CE2 3.24Å; T8-Y10 PolarHBondContact OG1-OH 2.9Å; Y10-S12 VanDerWaalsContact C-N 3.3Å; Y10-S12 PolarHBondContact O-N 3.39Å; Y10-I13 WeakPolarHBondContact O-CG1 3.5Å; Y10-I13 PolarHBondContact O-N 2.96Å; Y10-G14 PolarHBondContact O-N 2.9Å; Y10-L15 CarbonylContact C-O 3.57Å; Y10-L15 WeakPolarHBondContact CD2-O 3.04Å; Y10-L15 PolarHBondContact O-N 2.93Å; Y10-L15 VanDerWaalsContact O-O 3.1Å; Y10-K17 HydrophobicContact CD1-CB 4.18Å; Y10-K17 HydrophobicContact CD1-CG 4.17Å; Y10-K17 HydrophobicContact CD2-CB 4.13Å; Y10-K17 VanDerWaalsContact CD2-N 3.28Å; Y10-K17 HydrophobicContact CE1-CB 3.73Å; Y10-K17 HydrophobicContact CE1-CD 4.03Å; Y10-K17 HydrophobicContact CE1-CG 3.61Å; Y10-K17 HydrophobicContact CE2-CB 3.7Å; Y10-K17 HydrophobicContact CG-CB 4.37Å; Y10-K17 VanDerWaalsContact CZ-CB 3.49Å; Y10-Y20 HydrophobicContact CD1-CD1 4.33Å; Y10-Y20 HydrophobicContact CG-CG 4.47Å
11E49.4Very low45.8Very low97 Ų9798.3 Ų98.345%0.45353%0.53SS..G310 helixtrans-65.2-36.5178.7-80.5155.1-178.900111.2T7 T8 I13 G14T7-E11 HydrophobicContact CG2-CB 4.2Å; T8-E11 PolarHBondContact N-OE2 2.98Å; T8-E11 PolarHBondContact O-N 2.88Å; T8-E11 WeakPolarHBondContact OG1-CG 3.06Å; T8-E11 PolarHBondContact OG1-OE2 2.86Å; E11-I13 PolarHBondContact O-N 2.99Å; E11-G14 PolarHBondContact O-N 3.02Å
12S50.1Low46.8Very low82 Ų8287.7 Ų87.757%0.57348%0.478SS*.G310 helixtrans-64.9-21.9178.859.30000113.9T8 T9 Y10T8-S12 PolarHBondContact O-N 3.36Å; T9-S12 PolarHBondContact O-OG 2.89Å; Y10-S12 VanDerWaalsContact C-N 3.3Å; Y10-S12 PolarHBondContact O-N 3.39Å
13I48Very low47.5Very low96 Ų9686.5 Ų86.549%0.49246%0.457SS..G310 helixtrans-103.115.1176.158.3172.9000112.2Y10 E11 L15 Y20Y10-I13 WeakPolarHBondContact O-CG1 3.5Å; Y10-I13 PolarHBondContact O-N 2.96Å; E11-I13 PolarHBondContact O-N 2.99Å; I13-L15 HydrophobicContact CD1-CB 4.42Å; I13-L15 HydrophobicContact CD1-CD1 3.58Å; I13-L15 HydrophobicContact CD1-CG 3.97Å; I13-L15 HydrophobicContact CG1-CB 4.15Å; I13-L15 HydrophobicContact CG1-CD1 4.11Å; I13-L15 HydrophobicContact CG1-CG 3.91Å; I13-L15 PolarHBondContact O-N 2.71Å; I13-Y20 HydrophobicContact CD1-CD2 3.99Å; I13-Y20 HydrophobicContact CD1-CE2 4.39Å
14G50Low48.1Very low67 Ų6785.6 Ų85.669%0.69144%0.442SS*.THydrogen-bonded Turntrans68.220.1178.100000114Y10 E11Y10-G14 PolarHBondContact O-N 2.9Å; E11-G14 PolarHBondContact O-N 3.02Å
15L48.8Very low48.4Very low16 Ų1679 Ų798%0.08442%0.421CS..  trans-101.7148178.4-65.1-171.6000111.1Y10 I13 Q19 L35Y10-L15 CarbonylContact C-O 3.57Å; Y10-L15 WeakPolarHBondContact CD2-O 3.04Å; Y10-L15 PolarHBondContact O-N 2.93Å; Y10-L15 VanDerWaalsContact O-O 3.1Å; I13-L15 HydrophobicContact CD1-CB 4.42Å; I13-L15 HydrophobicContact CD1-CD1 3.58Å; I13-L15 HydrophobicContact CD1-CG 3.97Å; I13-L15 HydrophobicContact CG1-CB 4.15Å; I13-L15 HydrophobicContact CG1-CD1 4.11Å; I13-L15 HydrophobicContact CG1-CG 3.91Å; I13-L15 PolarHBondContact O-N 2.71Å; L15-Q19 HydrophobicContact CB-CB 4.05Å; L15-Q19 HydrophobicContact CD1-CB 4.38Å; L15-Q19 HydrophobicContact CD2-CB 3.97Å; L15-Q19 HydrophobicContact CG-CB 4.37Å; L15-L35 HydrophobicContact CD2-CD2 3.82Å
16T51.6Low48.7Very low71 Ų7173.4 Ų73.444%0.43639%0.391SS..  trans-70.4154160.764.20000109.8K18 Q19 Y20T16-K18 PolarHBondContact O-N 3.14Å; T16-Q19 PolarHBondContact O-N 3.05Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.21Å; T16-Q19 PolarHBondContact OG1-N 3.49Å; T16-Q19 VanDerWaalsContact OG1-N 3.14Å; T16-Q19 PolarHBondContact OG1-OE1 3.32Å; T16-Q19 VanDerWaalsContact OG1-OE1 3.05Å; T16-Y20 PolarHBondContact O-N 3.13Å
17K51.5Low49.1Very low124 Ų12470.3 Ų70.354%0.53937%0.368SS..Hα-helixtrans-47.5-35.1172.8-170.1172.4-178.3174.80112.7Y10 N21Y10-K17 HydrophobicContact CD1-CB 4.18Å; Y10-K17 HydrophobicContact CD1-CG 4.17Å; Y10-K17 HydrophobicContact CD2-CB 4.13Å; Y10-K17 VanDerWaalsContact CD2-N 3.28Å; Y10-K17 HydrophobicContact CE1-CB 3.73Å; Y10-K17 HydrophobicContact CE1-CD 4.03Å; Y10-K17 HydrophobicContact CE1-CG 3.61Å; Y10-K17 HydrophobicContact CE2-CB 3.7Å; Y10-K17 HydrophobicContact CG-CB 4.37Å; Y10-K17 VanDerWaalsContact CZ-CB 3.49Å; K17-N21 WeakPolarHBondContact O-CB 3.21Å; K17-N21 PolarHBondContact O-N 3.21Å; K17-N21 PolarHBondContact O-ND2 3.14Å
18K49.9Very low49.4Very low103 Ų10367.5 Ų67.545%0.44835%0.353SS..Hα-helixtrans-74.4-46.4179.9-68.5179.4-179.4175.60112.4T16 Y20 N21 L22 N65T16-K18 PolarHBondContact O-N 3.14Å; K18-Y20 PolarHBondContact O-N 2.96Å; K18-N21 PolarHBondContact O-N 3.12Å; K18-L22 PolarHBondContact O-N 3.36Å; K18-N65 PolarHBondContact NZ-O 3.17Å
19Q48.1Very low49.3Very low36 Ų3672.1 Ų72.117%0.16838%0.376CS..Hα-helixtrans-59.8-38.4173-76.1164.4-41.200111L15 T16 L22 Y23L15-Q19 HydrophobicContact CB-CB 4.05Å; L15-Q19 HydrophobicContact CD1-CB 4.38Å; L15-Q19 HydrophobicContact CD2-CB 3.97Å; L15-Q19 HydrophobicContact CG-CB 4.37Å; T16-Q19 PolarHBondContact O-N 3.05Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.21Å; T16-Q19 PolarHBondContact OG1-N 3.49Å; T16-Q19 VanDerWaalsContact OG1-N 3.14Å; T16-Q19 PolarHBondContact OG1-OE1 3.32Å; T16-Q19 VanDerWaalsContact OG1-OE1 3.05Å; Q19-L22 PolarHBondContact O-N 3.34Å; Q19-Y23 WeakPolarHBondContact O-CB 3.24Å; Q19-Y23 PolarHBondContact O-N 3.08Å
20Y50.4Low48.9Very low52 Ų5269.2 Ų69.220%0.20436%0.356CS..Hα-helixtrans-66.6-42.6174.3179.2-105000112.9Y10 I13 T16 K18 L22 Y23 R24Y10-Y20 HydrophobicContact CD1-CD1 4.33Å; Y10-Y20 HydrophobicContact CG-CG 4.47Å; I13-Y20 HydrophobicContact CD1-CD2 3.99Å; I13-Y20 HydrophobicContact CD1-CE2 4.39Å; T16-Y20 PolarHBondContact O-N 3.13Å; K18-Y20 PolarHBondContact O-N 2.96Å; Y20-L22 VanDerWaalsContact C-N 3.3Å; Y20-L22 PolarHBondContact O-N 3.17Å; Y20-Y23 PolarHBondContact O-N 3.17Å; Y20-R24 HydrophobicContact CD1-CG 4.34Å; Y20-R24 HydrophobicContact CE1-CG 3.98Å; Y20-R24 HydrophobicContact CE2-CG 4.27Å; Y20-R24 WeakPolarHBondContact O-CB 3.49Å; Y20-R24 WeakPolarHBondContact O-CG 3.27Å; Y20-R24 PolarHBondContact O-N 3.5Å
21N50.1Low49.2Very low55 Ų5569.1 Ų69.129%0.29436%0.358SS..Hα-helixtrans-63.6-38.2174.6-75.8-17.4000111.8K17 K18 H25K17-N21 WeakPolarHBondContact O-CB 3.21Å; K17-N21 PolarHBondContact O-N 3.21Å; K17-N21 PolarHBondContact O-ND2 3.14Å; K18-N21 PolarHBondContact O-N 3.12Å; N21-H25 WeakPolarHBondContact O-CB 3.38Å; N21-H25 PolarHBondContact O-N 2.89Å
22L52.1Low49.3Very low19 Ų1970.5 Ų70.510%0.09936%0.362CS..Hα-helixtrans-63.9-52.9171.9-17458000110.3K18 Q19 Y20 R24 H25 L26 T60 L67K18-L22 PolarHBondContact O-N 3.36Å; Q19-L22 PolarHBondContact O-N 3.34Å; Y20-L22 VanDerWaalsContact C-N 3.3Å; Y20-L22 PolarHBondContact O-N 3.17Å; L22-R24 PolarHBondContact O-N 3.06Å; L22-H25 CarbonylContact O-C 3.53Å; L22-H25 WeakPolarHBondContact O-CA 3.24Å; L22-H25 WeakPolarHBondContact O-CB 3.47Å; L22-H25 PolarHBondContact O-N 2.86Å; L22-L26 HydrophobicContact CD1-CD1 3.78Å; L22-L26 HydrophobicContact CD1-CD2 3.9Å; L22-L26 HydrophobicContact CD1-CG 3.69Å; L22-L26 HydrophobicContact CD2-CD1 4.21Å; L22-L26 HydrophobicContact CG-CD1 3.65Å; L22-L26 HydrophobicContact CG-CG 3.94Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 VanDerWaalsContact O-CG 3.24Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.35Å; L22-T60 HydrophobicContact CD2-CG2 3.33Å; L22-L67 HydrophobicContact CB-CD2 3.97Å; L22-L67 HydrophobicContact CD1-CD2 3.6Å; L22-L67 HydrophobicContact CD2-CD2 3.82Å; L22-L67 HydrophobicContact CG-CD2 3.99Å
23Y49.1Very low49.4Very low86 Ų8666.6 Ų66.634%0.33734%0.335SS..Hα-helixtrans-52.5-43.5177.2-179.6-92.4000111.5Q19 Y20 N27 S33Q19-Y23 WeakPolarHBondContact O-CB 3.24Å; Q19-Y23 PolarHBondContact O-N 3.08Å; Y20-Y23 PolarHBondContact O-N 3.17Å; Y23-N27 WeakPolarHBondContact CD1-ND2 3.44Å; Y23-N27 VanDerWaalsContact CD2-ND2 3.31Å; Y23-N27 WeakPolarHBondContact CD2-ND2 3.28Å; Y23-N27 WeakPolarHBondContact CE1-ND2 3.2Å; Y23-N27 WeakPolarHBondContact CE2-ND2 3.33Å; Y23-N27 WeakPolarHBondContact O-CB 3.5Å; Y23-N27 PolarHBondContact O-N 2.07Å; Y23-N27 PolarHBondContact O-ND2 3.47Å; Y23-S33 WeakPolarHBondContact CE2-O 3.44Å
24R49.2Very low49.6Very low136 Ų13664.7 Ų64.751%0.51333%0.325SS..Hα-helixtrans-66.3-41.8173.3-78.4-171.162.1-167.60.9113.2Y20 L22 L26 N27Y20-R24 HydrophobicContact CD1-CG 4.34Å; Y20-R24 HydrophobicContact CE1-CG 3.98Å; Y20-R24 HydrophobicContact CE2-CG 4.27Å; Y20-R24 WeakPolarHBondContact O-CB 3.49Å; Y20-R24 WeakPolarHBondContact O-CG 3.27Å; Y20-R24 PolarHBondContact O-N 3.5Å; L22-R24 PolarHBondContact O-N 3.06Å; R24-L26 VanDerWaalsContact C-N 3.32Å; R24-N27 CarbonylContact O-C 2.95Å; R24-N27 PolarHBondContact O-N 2.83Å
25H48.8Very low49.7Very low90 Ų9064.5 Ų64.542%0.41731%0.308SS..Hα-helixtrans-63.3-41.5177.8-18060.7000111.5N21 L22N21-H25 WeakPolarHBondContact O-CB 3.38Å; N21-H25 PolarHBondContact O-N 2.89Å; L22-H25 CarbonylContact O-C 3.53Å; L22-H25 WeakPolarHBondContact O-CA 3.24Å; L22-H25 WeakPolarHBondContact O-CB 3.47Å; L22-H25 PolarHBondContact O-N 2.86Å
26L48.7Very low49.8Very low9 Ų968.9 Ų68.95%0.04733%0.325CS..Hα-helixtrans-83.1-17.5-179.8-58-176.3000113.2L22 R24 S28 M31 S33 H45 I47 I58L22-L26 HydrophobicContact CD1-CD1 3.78Å; L22-L26 HydrophobicContact CD1-CD2 3.9Å; L22-L26 HydrophobicContact CD1-CG 3.69Å; L22-L26 HydrophobicContact CD2-CD1 4.21Å; L22-L26 HydrophobicContact CG-CD1 3.65Å; L22-L26 HydrophobicContact CG-CG 3.94Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 VanDerWaalsContact O-CG 3.24Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.35Å; R24-L26 VanDerWaalsContact C-N 3.32Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-M31 CarbonylContact C-O 3.45Å; L26-M31 CarbonylContact O-C 3.4Å; L26-M31 WeakPolarHBondContact O-CB 3.11Å; L26-S33 PolarHBondContact O-N 3.45Å; L26-H45 HydrophobicContact CD1-CB 4.27Å; L26-I47 HydrophobicContact CB-CD1 3.75Å; L26-I47 HydrophobicContact CB-CG1 4.21Å; L26-I47 HydrophobicContact CD1-CD1 3.56Å; L26-I47 HydrophobicContact CD1-CG1 3.87Å; L26-I47 HydrophobicContact CD2-CD1 3.3Å; L26-I47 HydrophobicContact CD2-CG1 4.47Å; L26-I47 HydrophobicContact CG-CD1 3.63Å; L26-I47 HydrophobicContact CG-CG1 4.34Å; L26-I58 HydrophobicContact CD1-CD1 4.44Å
27N45.8Very low49.8Very low49 Ų4971.5 Ų71.526%0.26233%0.332SS..SBendtrans-96.463.7167.6-74.3-58.7000109.7Y23 R24 M31 K32 S33Y23-N27 WeakPolarHBondContact CD1-ND2 3.44Å; Y23-N27 VanDerWaalsContact CD2-ND2 3.31Å; Y23-N27 WeakPolarHBondContact CD2-ND2 3.28Å; Y23-N27 WeakPolarHBondContact CE1-ND2 3.2Å; Y23-N27 WeakPolarHBondContact CE2-ND2 3.33Å; Y23-N27 WeakPolarHBondContact O-CB 3.5Å; Y23-N27 PolarHBondContact O-N 2.07Å; Y23-N27 PolarHBondContact O-ND2 3.47Å; R24-N27 CarbonylContact O-C 2.95Å; R24-N27 PolarHBondContact O-N 2.83Å; N27-M31 CarbonylContact C-O 3.54Å; N27-M31 WeakPolarHBondContact CA-O 3.15Å; N27-K32 VanDerWaalsContact OD1-CA 3.31Å; N27-K32 WeakPolarHBondContact OD1-CA 3.5Å; N27-S33 PolarHBondContact ND2-O 3.26Å; N27-S33 PolarHBondContact OD1-N 2.98Å; N27-S33 PolarHBondContact OD1-O 3.5Å
28S48.9Very low49.6Very low41 Ų4167.9 Ų67.929%0.28732%0.318SS..BIsolated β-bridgetrans-100.5171.9169.761.50000109.6L26 N30 M31L26-S28 VanDerWaalsContact C-N 3.35Å; S28-N30 PolarHBondContact O-N 2.85Å; S28-M31 PolarHBondContact N-O 3.25Å; S28-M31 VanDerWaalsContact N-O 3.12Å; S28-M31 CarbonylContact O-C 3.41Å; S28-M31 PolarHBondContact O-N 3Å
29D46.3Very low50Low148 Ų14870.7 Ų70.779%0.79134%0.338SS*.THydrogen-bonded Turntrans-50.2-25.3-176.7-58-26.3000114.3
30N47.6Very low50.3Low35 Ų3578.9 Ų78.919%0.18737%0.368CS..THydrogen-bonded Turntrans-109-6.1-175.5-60.9-78.6000114.9S28 C49 S50 R51S28-N30 PolarHBondContact O-N 2.85Å; N30-C49 CarbonylContact O-C 3.45Å; N30-C49 WeakPolarHBondContact O-CA 3.5Å; N30-S50 VanDerWaalsContact CA-OG 3.24Å; N30-S50 WeakPolarHBondContact CA-OG 3.35Å; N30-S50 PolarHBondContact O-N 3.29Å; N30-S50 PolarHBondContact O-OG 3.49Å; N30-R51 HydrophobicContact CB-CG 4.1Å; N30-R51 VanDerWaalsContact CG-NE 3.3Å; N30-R51 WeakPolarHBondContact OD1-CG 3.24Å; N30-R51 PolarHBondContact OD1-NE 2.66Å
31M49.3Very low50.4Low39 Ų3982 Ų8219%0.19239%0.388CS..EExtended strand (participates in β ladder)trans-137131.8-175.3-67-175.6-178.700108.4L26 N27 S28 I47 Q48 C93L26-M31 CarbonylContact C-O 3.45Å; L26-M31 CarbonylContact O-C 3.4Å; L26-M31 WeakPolarHBondContact O-CB 3.11Å; N27-M31 CarbonylContact C-O 3.54Å; N27-M31 WeakPolarHBondContact CA-O 3.15Å; S28-M31 PolarHBondContact N-O 3.25Å; S28-M31 VanDerWaalsContact N-O 3.12Å; S28-M31 CarbonylContact O-C 3.41Å; S28-M31 PolarHBondContact O-N 3Å; M31-I47 HydrophobicContact CB-CG2 3.78Å; M31-I47 HydrophobicContact CG-CG2 3.98Å; M31-I47 HydrophobicContact SD-CD1 4.35Å; M31-I47 HydrophobicContact SD-CG2 4.33Å; M31-Q48 WeakPolarHBondContact CA-O 3.49Å; M31-C93 HydrophobicContact CE-CB 3.67Å
32K50.5Low50.3Low126 Ų12683.1 Ų83.155%0.54839%0.393SS..EExtended strand (participates in β ladder)trans-116.5110.4171.9-172.7174.7-179.5179.20108.5N27 I47 Q48N27-K32 VanDerWaalsContact OD1-CA 3.31Å; N27-K32 WeakPolarHBondContact OD1-CA 3.5Å; K32-I47 WeakPolarHBondContact O-CA 3.25Å; K32-Q48 PolarHBondContact N-O 3.3Å; K32-Q48 PolarHBondContact O-N 2.78Å
33S52Low50Low1 Ų183.4 Ų83.41%0.00740%0.396CS..EExtended strand (participates in β ladder)trans-85.2116.6172.3155.10000109.7Y23 L26 N27 H45 Y46Y23-S33 WeakPolarHBondContact CE2-O 3.44Å; L26-S33 PolarHBondContact O-N 3.45Å; N27-S33 PolarHBondContact ND2-O 3.26Å; N27-S33 PolarHBondContact OD1-N 2.98Å; N27-S33 PolarHBondContact OD1-O 3.5Å; S33-H45 PolarHBondContact OG-ND1 3.23Å; S33-Y46 CarbonylContact C-O 3.53Å; S33-Y46 VanDerWaalsContact CA-O 3.3Å; S33-Y46 WeakPolarHBondContact CA-O 3.41Å
34I53.2Low50.1Low55 Ų5581.2 Ų81.228%0.28239%0.389SS..EExtended strand (participates in β ladder)trans-99.3123.3167.5-53.4171.3000107.3Y36 Y46I34-Y36 HydrophobicContact CB-CD2 4.21Å; I34-Y36 HydrophobicContact CB-CE2 3.58Å; I34-Y36 HydrophobicContact CG2-CD2 3.9Å; I34-Y36 HydrophobicContact CG2-CE1 4.38Å; I34-Y36 HydrophobicContact CG2-CE2 3.27Å; I34-Y36 WeakPolarHBondContact O-CD2 3.39Å; I34-Y46 PolarHBondContact N-O 2.81Å; I34-Y46 PolarHBondContact O-N 3.18Å
35L52.1Low50Low63 Ų6374.8 Ų74.833%0.3336%0.364SS..EExtended strand (participates in β ladder)trans-79128.1174.5-176.775.3000108.8L15 P43L15-L35 HydrophobicContact CD2-CD2 3.82Å; L35-P43 HydrophobicContact CD1-CB 4.11Å
36Y50.1Low50.1Low109 Ų10972.3 Ų72.343%0.42735%0.351SS..EExtended strand (participates in β ladder)trans-124.1163.2173.6-72.3-86.4000110I34 P43 F44 Y46I34-Y36 HydrophobicContact CB-CD2 4.21Å; I34-Y36 HydrophobicContact CB-CE2 3.58Å; I34-Y36 HydrophobicContact CG2-CD2 3.9Å; I34-Y36 HydrophobicContact CG2-CE1 4.38Å; I34-Y36 HydrophobicContact CG2-CE2 3.27Å; I34-Y36 WeakPolarHBondContact O-CD2 3.39Å; Y36-P43 CarbonylContact O-C 3.51Å; Y36-P43 VanDerWaalsContact O-CA 3.26Å; Y36-P43 WeakPolarHBondContact O-CA 3.27Å; Y36-F44 VanDerWaalsContact CB-CE2 3.44Å; Y36-F44 HydrophobicContact CD2-CE2 4.2Å; Y36-F44 HydrophobicContact CG-CE2 4.04Å; Y36-F44 HydrophobicContact CG-CZ 4.11Å; Y36-F44 PolarHBondContact N-O 2.94Å; Y36-F44 PolarHBondContact O-N 2.74Å; Y36-F44 VanDerWaalsContact O-O 3.12Å; Y36-Y46 HydrophobicContact CE2-CG 4.22Å
37Q51.2Low50.1Low125 Ų12571.9 Ų71.958%0.58435%0.349SS*.EExtended strand (participates in β ladder)trans-118.9139.4168-71.4176.4-10.600107.9F44Q37-F44 VanDerWaalsContact C-CE1 3.47Å
38N49Very low50.3Low49 Ų4973.4 Ų73.426%0.26236%0.355SS..  trans-82178.1171.9703.2000110.4W40 N41 I42 F44N38-W40 PolarHBondContact O-N 2.85Å; N38-W40 WeakPolarHBondContact OD1-CA 3.26Å; N38-W40 WeakPolarHBondContact OD1-CB 3.07Å; N38-W40 PolarHBondContact OD1-N 2.95Å; N38-N41 WeakPolarHBondContact O-CA 3.41Å; N38-N41 PolarHBondContact O-N 2.89Å; N38-N41 PolarHBondContact OD1-N 3.23Å; N38-I42 PolarHBondContact N-O 2.81Å; N38-I42 VanDerWaalsContact N-O 3.09Å; N38-I42 WeakPolarHBondContact OD1-CA 3.27Å; N38-I42 VanDerWaalsContact OD1-CB 3.31Å; N38-I42 WeakPolarHBondContact OD1-CB 3.44Å; N38-I42 PolarHBondContact OD1-N 3.33Å; N38-I42 PolarHBondContact OD1-O 3.08Å; N38-F44 HydrophobicContact CB-CD1 4.01Å; N38-F44 HydrophobicContact CB-CE1 3.79Å
39D56.7Low50.4Low162 Ų16271.5 Ų71.587%0.86634%0.341SS*.THydrogen-bonded Turntrans-57.4-17.2179.4-55.8-33000113.8
40W55.3Low50.6Low207 Ų20767 Ų6778%0.78432%0.322SS*.THydrogen-bonded Turntrans-96.612.6177.7-52.594.7000113N38 I42N38-W40 PolarHBondContact O-N 2.85Å; N38-W40 WeakPolarHBondContact OD1-CA 3.26Å; N38-W40 WeakPolarHBondContact OD1-CB 3.07Å; N38-W40 PolarHBondContact OD1-N 2.95Å; W40-I42 HydrophobicContact CB-CD1 3.98Å; W40-I42 HydrophobicContact CB-CG1 3.98Å; W40-I42 PolarHBondContact O-N 2.86Å; W40-I42 VanDerWaalsContact O-N 3.15Å
41N51.9Low50.5Low119 Ų11972.4 Ų72.464%0.63634%0.34SS*.  trans5721.2-173-65.7-36.6000114.4N38 P43N38-N41 WeakPolarHBondContact O-CA 3.41Å; N38-N41 PolarHBondContact O-N 2.89Å; N38-N41 PolarHBondContact OD1-N 3.23Å; N41-P43 WeakPolarHBondContact O-CD 3.43Å
42I48.5Very low50.5Low78 Ų7871.7 Ų71.740%0.434%0.338SS..  trans-83.9118.6177-55.6173.2000107.5N38 W40 F44N38-I42 PolarHBondContact N-O 2.81Å; N38-I42 VanDerWaalsContact N-O 3.09Å; N38-I42 WeakPolarHBondContact OD1-CA 3.27Å; N38-I42 VanDerWaalsContact OD1-CB 3.31Å; N38-I42 WeakPolarHBondContact OD1-CB 3.44Å; N38-I42 PolarHBondContact OD1-N 3.33Å; N38-I42 PolarHBondContact OD1-O 3.08Å; W40-I42 HydrophobicContact CB-CD1 3.98Å; W40-I42 HydrophobicContact CB-CG1 3.98Å; W40-I42 PolarHBondContact O-N 2.86Å; W40-I42 VanDerWaalsContact O-N 3.15Å; I42-F44 PolarHBondContact O-N 3.13Å
43P45.9Very low50.4Low25 Ų2572.8 Ų72.816%0.16235%0.345CS..EExtended strand (participates in β ladder)trans-67.3135178.526-32.4000110.7L35 Y36 N41L35-P43 HydrophobicContact CD1-CB 4.11Å; Y36-P43 CarbonylContact O-C 3.51Å; Y36-P43 VanDerWaalsContact O-CA 3.26Å; Y36-P43 WeakPolarHBondContact O-CA 3.27Å; N41-P43 WeakPolarHBondContact O-CD 3.43Å
44F50.5Low50.1Low40 Ų4074.1 Ų74.118%0.17535%0.354CS..EExtended strand (participates in β ladder)trans-134.5158.117166.3-93.2000110.5Y36 Q37 N38 I42 F57Y36-F44 VanDerWaalsContact CB-CE2 3.44Å; Y36-F44 HydrophobicContact CD2-CE2 4.2Å; Y36-F44 HydrophobicContact CG-CE2 4.04Å; Y36-F44 HydrophobicContact CG-CZ 4.11Å; Y36-F44 PolarHBondContact N-O 2.94Å; Y36-F44 PolarHBondContact O-N 2.74Å; Y36-F44 VanDerWaalsContact O-O 3.12Å; Q37-F44 VanDerWaalsContact C-CE1 3.47Å; N38-F44 HydrophobicContact CB-CD1 4.01Å; N38-F44 HydrophobicContact CB-CE1 3.79Å; I42-F44 PolarHBondContact O-N 3.13Å; F44-F57 HydrophobicContact CB-CE2 4.49Å; F44-F57 HydrophobicContact CB-CZ 4.47Å; F44-F57 HydrophobicContact CD2-CD2 4.17Å; F44-F57 AromaticContact CD2-CE2 3.36Å; F44-F57 HydrophobicContact CD2-CE2 3.36Å; F44-F57 HydrophobicContact CD2-CZ 4.11Å; F44-F57 HydrophobicContact CE2-CD2 4.35Å; F44-F57 AromaticContact CE2-CE2 3.65Å; F44-F57 HydrophobicContact CE2-CE2 3.65Å; F44-F57 HydrophobicContact CG-CE2 4.05Å; F44-F57 HydrophobicContact CG-CZ 4.37Å
45H48.6Very low49.8Very low1 Ų174.7 Ų74.71%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-109.6131.6-176.9-71.9-95.3000110.7L26 S33 I58L26-H45 HydrophobicContact CD1-CB 4.27Å; S33-H45 PolarHBondContact OG-ND1 3.23Å; H45-I58 HydrophobicContact CB-CB 4.45Å; H45-I58 HydrophobicContact CB-CG2 4.48Å; H45-I58 PolarHBondContact N-O 2.68Å; H45-I58 VanDerWaalsContact N-O 3.1Å; H45-I58 CarbonylContact O-C 3.53Å; H45-I58 WeakPolarHBondContact O-CA 3.43Å; H45-I58 PolarHBondContact O-N 2.95Å
46Y49.8Very low49.7Very low37 Ų3772 Ų7215%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-106120.2170.7-159.9-102.8000109.1S33 I34 Y36 K55 F57S33-Y46 CarbonylContact C-O 3.53Å; S33-Y46 VanDerWaalsContact CA-O 3.3Å; S33-Y46 WeakPolarHBondContact CA-O 3.41Å; I34-Y46 PolarHBondContact N-O 2.81Å; I34-Y46 PolarHBondContact O-N 3.18Å; Y36-Y46 HydrophobicContact CE2-CG 4.22Å; Y46-K55 HydrophobicContact CE1-CB 3.42Å; Y46-K55 VanDerWaalsContact CE1-CB 3.42Å; Y46-K55 HydrophobicContact CE1-CD 3.64Å; Y46-K55 HydrophobicContact CE1-CG 3.74Å; Y46-K55 HydrophobicContact CE2-CB 4.42Å; Y46-K55 WeakPolarHBondContact OH-CB 3.32Å; Y46-K55 WeakPolarHBondContact OH-CD 3.09Å; Y46-K55 WeakPolarHBondContact OH-CG 3.07Å; Y46-F57 HydrophobicContact CD2-CD2 4.28Å
47I50.1Low49.6Very low1 Ų168.2 Ų68.21%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-100.9120174.4-62.1-169.2000109.7L26 M31 K32 H56 I58L26-I47 HydrophobicContact CB-CD1 3.75Å; L26-I47 HydrophobicContact CB-CG1 4.21Å; L26-I47 HydrophobicContact CD1-CD1 3.56Å; L26-I47 HydrophobicContact CD1-CG1 3.87Å; L26-I47 HydrophobicContact CD2-CD1 3.3Å; L26-I47 HydrophobicContact CD2-CG1 4.47Å; L26-I47 HydrophobicContact CG-CD1 3.63Å; L26-I47 HydrophobicContact CG-CG1 4.34Å; M31-I47 HydrophobicContact CB-CG2 3.78Å; M31-I47 HydrophobicContact CG-CG2 3.98Å; M31-I47 HydrophobicContact SD-CD1 4.35Å; M31-I47 HydrophobicContact SD-CG2 4.33Å; K32-I47 WeakPolarHBondContact O-CA 3.25Å; I47-H56 HydrophobicContact CB-CB 4.37Å; I47-H56 PolarHBondContact N-O 2.86Å; I47-H56 WeakPolarHBondContact O-CA 3.4Å; I47-H56 PolarHBondContact O-N 3.15Å; I47-I58 HydrophobicContact CB-CD1 4.32Å; I47-I58 HydrophobicContact CD1-CD1 3.08Å; I47-I58 HydrophobicContact CD1-CG1 4.34Å; I47-I58 HydrophobicContact CG1-CD1 3.55Å; I47-I58 HydrophobicContact CG1-CG1 4.39Å
48Q49.7Very low49.5Very low81 Ų8162.4 Ų62.438%0.37930%0.299SS..EExtended strand (participates in β ladder)trans-89.5117.4160.1-170.4173.74.100108.8M31 K32M31-Q48 WeakPolarHBondContact CA-O 3.49Å; K32-Q48 PolarHBondContact N-O 3.3Å; K32-Q48 PolarHBondContact O-N 2.78Å
49C50.8Low49.3Very low0 Ų064.3 Ų64.30%031%0.306CS..EExtended strand (participates in β ladder)trans-90.9118.4174.8176.60000109N30 R51 C52 H53 C54 C93N30-C49 CarbonylContact O-C 3.45Å; N30-C49 WeakPolarHBondContact O-CA 3.5Å; C49-R51 PolarHBondContact O-N 3.29Å; C49-R51 PolarHBondContact SG-N 2.08Å; C49-C52 WeakPolarHBondContact CB-SG 3.02Å; C49-H53 VanDerWaalsContact O-CA 3.25Å; C49-H53 WeakPolarHBondContact O-CA 2.99Å; C49-H53 PolarHBondContact O-N 3.33Å; C49-C54 PolarHBondContact N-O 3.43Å; C49-C93 PolarHBondContact SG-SG 2.75Å
50S50.3Low48.8Very low55 Ų5557.2 Ų57.239%0.38527%0.269SS..THydrogen-bonded Turntrans-70.9-16.8179.960.20000112.9N30 H53N30-S50 VanDerWaalsContact CA-OG 3.24Å; N30-S50 WeakPolarHBondContact CA-OG 3.35Å; N30-S50 PolarHBondContact O-N 3.29Å; N30-S50 PolarHBondContact O-OG 3.49Å; S50-H53 PolarHBondContact O-CE1 2.05Å; S50-H53 VanDerWaalsContact O-CE1 3.29Å; S50-H53 PolarHBondContact O-NE2 3.08Å
51R45.8Very low48.3Very low148 Ų14850.8 Ų50.856%0.55825%0.25SC*.THydrogen-bonded Turntrans-77.5-38.7178.8-72.8-173.3175.4-163.3-2.5114.3N30 C49 P92N30-R51 HydrophobicContact CB-CG 4.1Å; N30-R51 VanDerWaalsContact CG-NE 3.3Å; N30-R51 WeakPolarHBondContact OD1-CG 3.24Å; N30-R51 PolarHBondContact OD1-NE 2.66Å; C49-R51 PolarHBondContact O-N 3.29Å; C49-R51 PolarHBondContact SG-N 2.08Å; R51-P92 HydrophobicContact CB-CG 4.5Å
52C48.3Very low47.9Very low23 Ų2348.9 Ų48.916%0.15524%0.24CC..THydrogen-bonded Turntrans-102.9-8.4177.362.30000112.2C49 C54 H56 C91C49-C52 WeakPolarHBondContact CB-SG 3.02Å; C52-C54 HydrophobicContact CB-CB 4.41Å; C52-C54 PolarHBondContact O-N 3.3Å; C52-C54 PolarHBondContact SG-N 3.2Å; C52-H56 PolarHBondContact SG-NE2 2.99Å; C52-C91 HydrophobicContact CB-CB 4.48Å; C52-C91 PolarHBondContact SG-SG 3.35Å
53H47.8Very low47.7Very low149 Ų14951 Ų5169%0.6926%0.256SS*.  trans54.34.1-169.9-59.5-76.4000114.9C49 S50C49-H53 VanDerWaalsContact O-CA 3.25Å; C49-H53 WeakPolarHBondContact O-CA 2.99Å; C49-H53 PolarHBondContact O-N 3.33Å; S50-H53 PolarHBondContact O-CE1 2.05Å; S50-H53 VanDerWaalsContact O-CE1 3.29Å; S50-H53 PolarHBondContact O-NE2 3.08Å
54C45.9Very low47.3Very low30 Ų3052.3 Ų52.320%0.20326%0.264CS..  trans-80150.3174.1-75.10000109.8C49 C52 H56 C81C49-C54 PolarHBondContact N-O 3.43Å; C52-C54 HydrophobicContact CB-CB 4.41Å; C52-C54 PolarHBondContact O-N 3.3Å; C52-C54 PolarHBondContact SG-N 3.2Å; C54-H56 PolarHBondContact O-CD2 3.32Å; C54-C81 WeakPolarHBondContact CB-SG 3.46Å; C54-C81 WeakPolarHBondContact SG-CB 3.3Å; C54-C81 CovalentContact SG-SG 2.07Å; C54-C81 PolarHBondContact SG-SG 3.04Å
55K47.6Very low46.6Very low67 Ų6756.4 Ų56.429%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-96.8120.9178.3-58.2179.3-176.6179.10109.1Y46 Y80Y46-K55 HydrophobicContact CE1-CB 3.42Å; Y46-K55 VanDerWaalsContact CE1-CB 3.42Å; Y46-K55 HydrophobicContact CE1-CD 3.64Å; Y46-K55 HydrophobicContact CE1-CG 3.74Å; Y46-K55 HydrophobicContact CE2-CB 4.42Å; Y46-K55 WeakPolarHBondContact OH-CB 3.32Å; Y46-K55 WeakPolarHBondContact OH-CD 3.09Å; Y46-K55 WeakPolarHBondContact OH-CG 3.07Å; K55-Y80 HydrophobicContact CD-CD1 4.44Å; K55-Y80 HydrophobicContact CD-CG 4.4Å
56H50.7Low46Very low5 Ų560.1 Ų60.12%0.02331%0.308CS..EExtended strand (participates in β ladder)trans-105.7123.1-177.7-58.1-90.6000109.8I47 C52 C54 E74 C91 I95I47-H56 HydrophobicContact CB-CB 4.37Å; I47-H56 PolarHBondContact N-O 2.86Å; I47-H56 WeakPolarHBondContact O-CA 3.4Å; I47-H56 PolarHBondContact O-N 3.15Å; C52-H56 PolarHBondContact SG-NE2 2.99Å; C54-H56 PolarHBondContact O-CD2 3.32Å; H56-E74 IonicContact CE1-OE1 3.17Å; H56-E74 PolarHBondContact CE1-OE1 3.43Å; H56-E74 IonicContact ND1-OE1 2.8Å; H56-E74 PolarHBondContact ND1-OE1 3.42Å; H56-C91 PolarHBondContact CE1-SG 2.93Å; H56-C91 PolarHBondContact NE2-SG 3.42Å; H56-I95 HydrophobicContact CB-CD1 3.93Å
57F46.6Very low45.3Very low30 Ų3061.7 Ų61.713%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-81132.2172-176.1-104.6000110.3F44 Y46 Q59F44-F57 HydrophobicContact CB-CE2 4.49Å; F44-F57 HydrophobicContact CB-CZ 4.47Å; F44-F57 HydrophobicContact CD2-CD2 4.17Å; F44-F57 AromaticContact CD2-CE2 3.36Å; F44-F57 HydrophobicContact CD2-CE2 3.36Å; F44-F57 HydrophobicContact CD2-CZ 4.11Å; F44-F57 HydrophobicContact CE2-CD2 4.35Å; F44-F57 AromaticContact CE2-CE2 3.65Å; F44-F57 HydrophobicContact CE2-CE2 3.65Å; F44-F57 HydrophobicContact CG-CE2 4.05Å; F44-F57 HydrophobicContact CG-CZ 4.37Å; Y46-F57 HydrophobicContact CD2-CD2 4.28Å; F57-Q59 HydrophobicContact CD1-CB 4.47Å; F57-Q59 HydrophobicContact CE1-CB 3.71Å; F57-Q59 HydrophobicContact CE1-CG 4.33Å; F57-Q59 HydrophobicContact CZ-CB 4.26Å
58I49.3Very low44.6Very low4 Ų465.5 Ų65.52%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-127.7105.8173.7-67.9178.2000109.2L26 H45 I47 T60 L72 I95L26-I58 HydrophobicContact CD1-CD1 4.44Å; H45-I58 HydrophobicContact CB-CB 4.45Å; H45-I58 HydrophobicContact CB-CG2 4.48Å; H45-I58 PolarHBondContact N-O 2.68Å; H45-I58 VanDerWaalsContact N-O 3.1Å; H45-I58 CarbonylContact O-C 3.53Å; H45-I58 WeakPolarHBondContact O-CA 3.43Å; H45-I58 PolarHBondContact O-N 2.95Å; I47-I58 HydrophobicContact CB-CD1 4.32Å; I47-I58 HydrophobicContact CD1-CD1 3.08Å; I47-I58 HydrophobicContact CD1-CG1 4.34Å; I47-I58 HydrophobicContact CG1-CD1 3.55Å; I47-I58 HydrophobicContact CG1-CG1 4.39Å; I58-T60 HydrophobicContact CG2-CG2 4.28Å; I58-T60 PolarHBondContact O-N 3.27Å; I58-L72 HydrophobicContact CB-CD2 3.95Å; I58-L72 HydrophobicContact CD1-CD2 3.36Å; I58-L72 HydrophobicContact CG1-CD2 3.48Å; I58-L72 VanDerWaalsContact CG1-CD2 3.48Å; I58-L72 HydrophobicContact CG2-CD2 3.32Å; I58-L72 HydrophobicContact CG2-CG 4.49Å; I58-I95 HydrophobicContact CD1-CD1 4.47Å
59Q45Very low43.7Very low89 Ų8963.4 Ų63.442%0.41633%0.332SS..  trans-83.2112169-158.3172.44.200109.6F57 Q71F57-Q59 HydrophobicContact CD1-CB 4.47Å; F57-Q59 HydrophobicContact CE1-CB 3.71Å; F57-Q59 HydrophobicContact CE1-CG 4.33Å; F57-Q59 HydrophobicContact CZ-CB 4.26Å; Q59-Q71 VanDerWaalsContact O-O 3.09Å
60T46.5Very low42.9Very low12 Ų1263.9 Ų63.97%0.07434%0.335CS..  trans-81125.2168.347.20000109.3L22 I58 N62L22-T60 HydrophobicContact CD2-CG2 3.33Å; I58-T60 HydrophobicContact CG2-CG2 4.28Å; I58-T60 PolarHBondContact O-N 3.27Å; T60-N62 PolarHBondContact O-N 3.2Å
61N44.4Very low42.4Very low72 Ų7267.1 Ų67.139%0.38534%0.344SS..  trans-83105174.4-174.5-2.2000109.4T63 T64 S70N61-T63 PolarHBondContact ND2-OG1 3.13Å; N61-T63 VanDerWaalsContact ND2-OG1 3.17Å; N61-T63 PolarHBondContact O-N 2.8Å; N61-T63 PolarHBondContact OD1-N 3.02Å; N61-T63 VanDerWaalsContact OD1-N 3.1Å; N61-T63 PolarHBondContact OD1-OG1 2.88Å; N61-T64 PolarHBondContact O-N 3.17Å; N61-T64 VanDerWaalsContact O-O 3.11Å; N61-T64 PolarHBondContact O-OG1 3.29Å; N61-S70 PolarHBondContact N-OG 2.88Å
62N43.4Very low42Very low80 Ų8061 Ų6143%0.42832%0.323SS..THydrogen-bonded Turntrans-65-22.2-178.5-65.9-16.2000113.6T60 T64T60-N62 PolarHBondContact O-N 3.2Å; N62-T64 VanDerWaalsContact C-N 3.29Å; N62-T64 PolarHBondContact O-N 2.03Å
63T44.1Very low41.6Very low121 Ų12164.9 Ų64.974%0.74234%0.337SS*.THydrogen-bonded Turntrans-67.5-33.3-178.649.70000112.2N61N61-T63 PolarHBondContact ND2-OG1 3.13Å; N61-T63 VanDerWaalsContact ND2-OG1 3.17Å; N61-T63 PolarHBondContact O-N 2.8Å; N61-T63 PolarHBondContact OD1-N 3.02Å; N61-T63 VanDerWaalsContact OD1-N 3.1Å; N61-T63 PolarHBondContact OD1-OG1 2.88Å
64T38Very low41.2Very low54 Ų5460 Ų6033%0.33131%0.314SS..SBendtrans-100.1110.9174.357.30000108.4N61 N62 N66 S69N61-T64 PolarHBondContact O-N 3.17Å; N61-T64 VanDerWaalsContact O-O 3.11Å; N61-T64 PolarHBondContact O-OG1 3.29Å; N62-T64 VanDerWaalsContact C-N 3.29Å; N62-T64 PolarHBondContact O-N 2.03Å; T64-N66 PolarHBondContact O-N 3.29Å; T64-S69 WeakPolarHBondContact CB-OG 3.48Å; T64-S69 WeakPolarHBondContact OG1-CB 2.9Å; T64-S69 PolarHBondContact OG1-OG 2.91Å
65N36.5Very low41Very low125 Ų12563.6 Ų63.667%0.66833%0.328SS*.SBendtrans-61.221.3172-103.2-39.8000114.2K18K18-N65 PolarHBondContact NZ-O 3.17Å
66N34.8Very low40.7Very low80 Ų8066.4 Ų66.443%0.42834%0.342SS..  trans-122.3121.3-174-179.33.3000109.2T64 I68 S69 S70T64-N66 PolarHBondContact O-N 3.29Å; N66-I68 PolarHBondContact O-N 3.27Å; N66-I68 WeakPolarHBondContact OD1-CB 2.92Å; N66-I68 WeakPolarHBondContact OD1-CG1 3.46Å; N66-I68 PolarHBondContact OD1-N 2.94Å; N66-S69 WeakPolarHBondContact CB-OG 3.45Å; N66-S69 PolarHBondContact O-N 3Å; N66-S69 PolarHBondContact O-OG 2.98Å; N66-S70 PolarHBondContact O-N 3.29Å
67L36.8Very low39.9Very low69 Ų6971.9 Ų71.936%0.36136%0.364SS..THydrogen-bonded Turntrans-59.9-29.2177.4-81.5165.4000112.7L22 S69 S70L22-L67 HydrophobicContact CB-CD2 3.97Å; L22-L67 HydrophobicContact CD1-CD2 3.6Å; L22-L67 HydrophobicContact CD2-CD2 3.82Å; L22-L67 HydrophobicContact CG-CD2 3.99Å; L67-S69 VanDerWaalsContact C-N 3.33Å; L67-S70 WeakPolarHBondContact O-CB 3.38Å; L67-S70 PolarHBondContact O-N 3.44Å
68I34.5Very low39.2Very low81 Ų8177.6 Ų77.642%0.41539%0.391SS..THydrogen-bonded Turntrans-70.8-32.8-178.1-57.6172000111N66 I101N66-I68 PolarHBondContact O-N 3.27Å; N66-I68 WeakPolarHBondContact OD1-CB 2.92Å; N66-I68 WeakPolarHBondContact OD1-CG1 3.46Å; N66-I68 PolarHBondContact OD1-N 2.94Å; I68-I101 HydrophobicContact CG2-CB 4.48Å; I68-I101 VanDerWaalsContact CG2-O 3.28Å; I68-I101 WeakPolarHBondContact CG2-O 3.31Å
69S31.8Very low38.4Very low38 Ų3883.7 Ų83.727%0.26642%0.423SS..THydrogen-bonded Turntrans-92.7-5.5-179.351.70000113.5T64 N66 L67 Q71T64-S69 WeakPolarHBondContact CB-OG 3.48Å; T64-S69 WeakPolarHBondContact OG1-CB 2.9Å; T64-S69 PolarHBondContact OG1-OG 2.91Å; N66-S69 WeakPolarHBondContact CB-OG 3.45Å; N66-S69 PolarHBondContact O-N 3Å; N66-S69 PolarHBondContact O-OG 2.98Å; L67-S69 VanDerWaalsContact C-N 3.33Å; S69-Q71 PolarHBondContact O-N 3.23Å
70S34Very low37.8Very low10 Ų1086.4 Ų86.47%0.0743%0.431CS..SBendtrans-63.896159.6-69.70000107.2N61 N66 L67 L72N61-S70 PolarHBondContact N-OG 2.88Å; N66-S70 PolarHBondContact O-N 3.29Å; L67-S70 WeakPolarHBondContact O-CB 3.38Å; L67-S70 PolarHBondContact O-N 3.44Å; S70-L72 PolarHBondContact O-N 2.64Å
71Q37.9Very low36.9Very low122 Ų12288.4 Ų88.457%0.5745%0.445SS*.  trans-59.6105.1174.7-72.5-178.1-12.300107.1Q59 S69 K73Q59-Q71 VanDerWaalsContact O-O 3.09Å; S69-Q71 PolarHBondContact O-N 3.23Å; Q71-K73 HydrophobicContact CB-CG 4.38Å; Q71-K73 PolarHBondContact O-N 3.47Å
72L38.9Very low36.2Very low20 Ų2091.9 Ų91.911%0.10546%0.458CS..  trans-68.183.6170.2-67.7151.6000106.1I58 S70 E74 I95 L98 N99I58-L72 HydrophobicContact CB-CD2 3.95Å; I58-L72 HydrophobicContact CD1-CD2 3.36Å; I58-L72 HydrophobicContact CG1-CD2 3.48Å; I58-L72 VanDerWaalsContact CG1-CD2 3.48Å; I58-L72 HydrophobicContact CG2-CD2 3.32Å; I58-L72 HydrophobicContact CG2-CG 4.49Å; S70-L72 PolarHBondContact O-N 2.64Å; L72-E74 VanDerWaalsContact C-N 3.26Å; L72-E74 PolarHBondContact O-N 3.43Å; L72-I95 HydrophobicContact CB-CG2 3.66Å; L72-I95 HydrophobicContact CD1-CG2 3.82Å; L72-I95 HydrophobicContact CD2-CG2 3.8Å; L72-I95 HydrophobicContact CG-CG2 3.98Å; L72-L98 HydrophobicContact CD1-CB 3.32Å; L72-L98 HydrophobicContact CD1-CD1 3.56Å; L72-L98 HydrophobicContact CD1-CG 4.07Å; L72-N99 WeakPolarHBondContact CB-OD1 3.42Å; L72-N99 PolarHBondContact N-OD1 2.88Å; L72-N99 PolarHBondContact O-ND2 3Å
73K39.5Very low35.6Very low104 Ų10498.5 Ų98.545%0.45248%0.479SS..  trans-75.389.6171-74.5-172.7179.1-179.40106.5Q71 Q75Q71-K73 HydrophobicContact CB-CG 4.38Å; Q71-K73 PolarHBondContact O-N 3.47Å; K73-Q75 PolarHBondContact O-N 3.33Å
74E40.2Very low35.1Very low47 Ų47100.2 Ų100.222%0.2248%0.476CS..  trans-66.481.9165.3-174170-159.700107.6H56 L72 Q76H56-E74 IonicContact CE1-OE1 3.17Å; H56-E74 PolarHBondContact CE1-OE1 3.43Å; H56-E74 IonicContact ND1-OE1 2.8Å; H56-E74 PolarHBondContact ND1-OE1 3.42Å; L72-E74 VanDerWaalsContact C-N 3.26Å; L72-E74 PolarHBondContact O-N 3.43Å; E74-Q76 VanDerWaalsContact C-N 3.26Å; E74-Q76 HydrophobicContact CG-CG 4.27Å; E74-Q76 PolarHBondContact O-N 3.47Å; E74-Q76 VanDerWaalsContact O-N 3.13Å
75Q40.4Very low34.9Very low105 Ų105104.1 Ų104.149%0.49150%0.502SS..  trans-73.895.5156.4-76.3-179.3-25.300104.8K73 Y77K73-Q75 PolarHBondContact O-N 3.33Å; Q75-Y77 PolarHBondContact O-N 3.22Å
76Q41.1Very low34.7Very low126 Ų126104.4 Ų104.459%0.58950%0.502SS*.BIsolated β-bridgetrans-56.1103.8154.5-78.7-178.3-2500104.8E74 E78E74-Q76 VanDerWaalsContact C-N 3.26Å; E74-Q76 HydrophobicContact CG-CG 4.27Å; E74-Q76 PolarHBondContact O-N 3.47Å; E74-Q76 VanDerWaalsContact O-N 3.13Å; Q76-E78 PolarHBondContact O-N 3.34Å
77Y34.5Very low34.4Very low121 Ų121107.1 Ų107.148%0.47552%0.516SS..  trans-62.998.6163.6-95.9-97.1000105Q75 D79 Y80Q75-Y77 PolarHBondContact O-N 3.22Å; Y77-D79 PolarHBondContact O-N 3.26Å; Y77-D79 VanDerWaalsContact O-N 3.08Å; Y77-Y80 PolarHBondContact O-N 3.1Å
78E32.3Very low34.3Very low150 Ų150113.8 Ų113.870%0.70154%0.542SS*.G310 helixtrans-49.3-37.7-176-74.3-175.414500110.3Q76 Y80 C81 H82Q76-E78 PolarHBondContact O-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.08Å; E78-C81 PolarHBondContact O-N 3.04Å; E78-H82 PolarHBondContact O-CD2 3.12Å
79D32.6Very low34.2Very low132 Ų132115.2 Ų115.271%0.70655%0.549SS*.G310 helixtrans-55.7-26.2-179.8-63-26.7000115.3Y77Y77-D79 PolarHBondContact O-N 3.26Å; Y77-D79 VanDerWaalsContact O-N 3.08Å
80Y31.3Very low34.6Very low146 Ų146121.5 Ų121.557%0.57358%0.575SS**G310 helixtrans-94.7-18.5-176.8-82.5-73.3000115.3K55 Y77 E78K55-Y80 HydrophobicContact CD-CD1 4.44Å; K55-Y80 HydrophobicContact CD-CG 4.4Å; Y77-Y80 PolarHBondContact O-N 3.1Å; E78-Y80 PolarHBondContact O-N 3.08Å
81C28.7Very low34.8Very low54 Ų54121.7 Ų121.737%0.36558%0.576SS.*SBendtrans-106.414.9178.8-53.30000112.6C54 E78 Y83C54-C81 WeakPolarHBondContact CB-SG 3.46Å; C54-C81 WeakPolarHBondContact SG-CB 3.3Å; C54-C81 CovalentContact SG-SG 2.07Å; C54-C81 PolarHBondContact SG-SG 3.04Å; E78-C81 PolarHBondContact O-N 3.04Å; C81-Y83 PolarHBondContact O-N 2.87Å; C81-Y83 VanDerWaalsContact O-N 3.12Å
82H28.9Very low34.8Very low144 Ų144119.8 Ų119.867%0.66757%0.574SS**  trans-693.2172.9-93.8-73.8000115.3E78 K84E78-H82 PolarHBondContact O-CD2 3.12Å; H82-K84 VanDerWaalsContact C-N 3.29Å; H82-K84 PolarHBondContact O-N 3.03Å
83Y32.1Very low34.8Very low220 Ų220120.1 Ų120.186%0.86358%0.578SS**SBendtrans-76.286.6171.4-116.7-92000110.5C81C81-Y83 PolarHBondContact O-N 2.87Å; C81-Y83 VanDerWaalsContact O-N 3.12Å
84K32.3Very low34.6Very low156 Ų156118.2 Ų118.268%0.67857%0.573SS**  trans76.7120.4171.4-63-178.4175.5-179.40115.9H82 I86H82-K84 VanDerWaalsContact C-N 3.29Å; H82-K84 PolarHBondContact O-N 3.03Å; K84-I86 PolarHBondContact O-N 2.93Å
85P34Very low34.3Very low136 Ų136116.3 Ų116.388%0.88356%0.564SS**SBendtrans-7519.117933.2-35.1000113.8
86I32.3Very low33.8Very low131 Ų131116.1 Ų116.167%0.67257%0.565SS**SBendtrans-102.1108.2-179.3-53.6172.7000106.3K84K84-I86 PolarHBondContact O-N 2.93Å
87L29.4Very low33.3Very low137 Ų137118.5 Ų118.572%0.71757%0.569SS**  trans76.792.8-171.1-55.7133.6000112.6I89L87-I89 HydrophobicContact CB-CD1 4.46Å; L87-I89 HydrophobicContact CB-CG1 3.69Å; L87-I89 PolarHBondContact O-N 2.07Å
88K34.3Very low33.1Very low209 Ų209116 Ų11691%0.90956%0.564SS**  trans-56.682.9142.7-84.5-178.1174.3179.50106.4E90K88-E90 PolarHBondContact O-N 3.35Å
89I32.8Very low32.9Very low111 Ų111112.1 Ų112.157%0.56955%0.547SS*.  trans-67.195.4169.1-59.5176.9000103.6L87 C91L87-I89 HydrophobicContact CB-CD1 4.46Å; L87-I89 HydrophobicContact CB-CG1 3.69Å; L87-I89 PolarHBondContact O-N 2.07Å; I89-C91 PolarHBondContact O-N 2.81Å
90E38.8Very low32.6Very low170 Ų170110.4 Ų110.479%0.79454%0.542SS*.  trans-47.5114.5164.1-69.3-173.2163.200105.9K88 P92K88-E90 PolarHBondContact O-N 3.35Å; E90-P92 VanDerWaalsContact O-CD 3.24Å; E90-P92 WeakPolarHBondContact O-CD 3.31Å
91C38.6Very low32.6Very low15 Ų15106 Ų10610%0.10153%0.528CS..  trans-54.3117.8-179.7-161.70000106.2C52 H56 I89 C93 N94C52-C91 HydrophobicContact CB-CB 4.48Å; C52-C91 PolarHBondContact SG-SG 3.35Å; H56-C91 PolarHBondContact CE1-SG 2.93Å; H56-C91 PolarHBondContact NE2-SG 3.42Å; I89-C91 PolarHBondContact O-N 2.81Å; C91-C93 HydrophobicContact CB-CB 3.85Å; C91-C93 WeakPolarHBondContact CB-SG 3.24Å; C91-C93 PolarHBondContact O-N 3.29Å; C91-C93 WeakPolarHBondContact SG-CB 3.21Å; C91-C93 CovalentContact SG-SG 2.03Å; C91-C93 PolarHBondContact SG-SG 3.16Å; C91-N94 PolarHBondContact O-N 2.85Å
92P38Very low32.7Very low81 Ų81112.1 Ų112.153%0.52655%0.548SS..THydrogen-bonded Turntrans-59.8-16.9-178.823.1-33.2000111.9R51 E90 N94R51-P92 HydrophobicContact CB-CG 4.5Å; E90-P92 VanDerWaalsContact O-CD 3.24Å; E90-P92 WeakPolarHBondContact O-CD 3.31Å; P92-N94 PolarHBondContact O-N 3.29Å
93C38.7Very low32.7Very low28 Ų28110.4 Ų110.419%0.18955%0.552CS.*THydrogen-bonded Turntrans-47.8-31167.4-26.80000113.7M31 C49 C91 I95M31-C93 HydrophobicContact CE-CB 3.67Å; C49-C93 PolarHBondContact SG-SG 2.75Å; C91-C93 HydrophobicContact CB-CB 3.85Å; C91-C93 WeakPolarHBondContact CB-SG 3.24Å; C91-C93 PolarHBondContact O-N 3.29Å; C91-C93 WeakPolarHBondContact SG-CB 3.21Å; C91-C93 CovalentContact SG-SG 2.03Å; C91-C93 PolarHBondContact SG-SG 3.16Å; C93-I95 HydrophobicContact CB-CG1 4.1Å; C93-I95 PolarHBondContact O-N 3.48Å
94N34.8Very low32.7Very low63 Ų63106.9 Ų106.934%0.33755%0.548SS..  trans35.549.9174-133.1-20.4000111.9C91 P92 I96 R97C91-N94 PolarHBondContact O-N 2.85Å; P92-N94 PolarHBondContact O-N 3.29Å; N94-I96 PolarHBondContact O-N 2.75Å; N94-I96 VanDerWaalsContact O-N 3.13Å; N94-R97 WeakPolarHBondContact O-CB 3.21Å; N94-R97 PolarHBondContact O-N 3.17Å
95I35.2Very low33.1Very low7 Ų7104.5 Ų104.54%0.03655%0.549CS..THydrogen-bonded Turntrans-59-31.4-172.2-64175.7000109.4H56 I58 L72 C93 R97 L98H56-I95 HydrophobicContact CB-CD1 3.93Å; I58-I95 HydrophobicContact CD1-CD1 4.47Å; L72-I95 HydrophobicContact CB-CG2 3.66Å; L72-I95 HydrophobicContact CD1-CG2 3.82Å; L72-I95 HydrophobicContact CD2-CG2 3.8Å; L72-I95 HydrophobicContact CG-CG2 3.98Å; C93-I95 HydrophobicContact CB-CG1 4.1Å; C93-I95 PolarHBondContact O-N 3.48Å; I95-R97 PolarHBondContact O-N 2.88Å; I95-R97 VanDerWaalsContact O-N 3.08Å; I95-L98 WeakPolarHBondContact O-CB 3.41Å; I95-L98 PolarHBondContact O-N 3.32Å
96I29.7Very low33.1Very low102 Ų102101.6 Ų101.652%0.52353%0.532SS..Hα-helixtrans-46.3-36.9169.4-62.4162.8000112.5N94 L98 N99N94-I96 PolarHBondContact O-N 2.75Å; N94-I96 VanDerWaalsContact O-N 3.13Å; I96-L98 VanDerWaalsContact C-N 3.3Å; I96-L98 PolarHBondContact O-N 2.88Å; I96-N99 WeakPolarHBondContact O-CB 3.38Å; I96-N99 PolarHBondContact O-N 3.27Å
97R29.5Very low33.4Very low176 Ų17696.8 Ų96.866%0.66451%0.509SS*.Hα-helixtrans-68.5-24.6-178.5-81.7-174169.91731.3114.1N94 I95 N99 T100N94-R97 WeakPolarHBondContact O-CB 3.21Å; N94-R97 PolarHBondContact O-N 3.17Å; I95-R97 PolarHBondContact O-N 2.88Å; I95-R97 VanDerWaalsContact O-N 3.08Å; R97-N99 VanDerWaalsContact C-N 3.35Å; R97-T100 VanDerWaalsContact CA-OG1 3.31Å; R97-T100 WeakPolarHBondContact CA-OG1 3.44Å; R97-T100 PolarHBondContact O-N 2.98Å; R97-T100 PolarHBondContact O-OG1 3.46Å
98L30.9Very low33.7Very low69 Ų6991.4 Ų91.436%0.36148%0.483SS..Hα-helixtrans-67.1-37.8174.9-70.9170.4000111L72 I95 I96 T100 I101L72-L98 HydrophobicContact CD1-CB 3.32Å; L72-L98 HydrophobicContact CD1-CD1 3.56Å; L72-L98 HydrophobicContact CD1-CG 4.07Å; I95-L98 WeakPolarHBondContact O-CB 3.41Å; I95-L98 PolarHBondContact O-N 3.32Å; I96-L98 VanDerWaalsContact C-N 3.3Å; I96-L98 PolarHBondContact O-N 2.88Å; L98-T100 PolarHBondContact O-N 2.8Å; L98-I101 HydrophobicContact CD2-CD1 3.86Å; L98-I101 WeakPolarHBondContact O-CG1 3.48Å; L98-I101 PolarHBondContact O-N 2.94Å
99N27.8Very low33.9Very low68 Ų6885.4 Ų85.436%0.36446%0.457SS..Hα-helixtrans-64.5-26.5175.3-70.6-21.3000112.7L72 I96 R97 I101L72-N99 WeakPolarHBondContact CB-OD1 3.42Å; L72-N99 PolarHBondContact N-OD1 2.88Å; L72-N99 PolarHBondContact O-ND2 3Å; I96-N99 WeakPolarHBondContact O-CB 3.38Å; I96-N99 PolarHBondContact O-N 3.27Å; R97-N99 VanDerWaalsContact C-N 3.35Å; N99-I101 VanDerWaalsContact C-N 3.34Å
100T27.5Very low34.1Very low96 Ų9681 Ų8159%0.58944%0.435SS*.THydrogen-bonded Turntrans-87.15.7177.445.40000114.6R97 L98 K102R97-T100 VanDerWaalsContact CA-OG1 3.31Å; R97-T100 WeakPolarHBondContact CA-OG1 3.44Å; R97-T100 PolarHBondContact O-N 2.98Å; R97-T100 PolarHBondContact O-OG1 3.46Å; L98-T100 PolarHBondContact O-N 2.8Å; T100-K102 PolarHBondContact O-N 3.34Å
101I31.1Very low34Very low53 Ų5378.2 Ų78.227%0.27242%0.422SS..  trans-73.477.2171.2-55.2175.9000108.2I68 L98 N99 S103I68-I101 HydrophobicContact CG2-CB 4.48Å; I68-I101 VanDerWaalsContact CG2-O 3.28Å; I68-I101 WeakPolarHBondContact CG2-O 3.31Å; L98-I101 HydrophobicContact CD2-CD1 3.86Å; L98-I101 WeakPolarHBondContact O-CG1 3.48Å; L98-I101 PolarHBondContact O-N 2.94Å; N99-I101 VanDerWaalsContact C-N 3.34Å; I101-S103 PolarHBondContact O-N 3.24Å
102K29.4Very low33.9Very low182 Ų18279.2 Ų79.279%0.79143%0.429SS*.  trans-56137.8160.3-79.1-177.3172.7179.50108.2T100 N104T100-K102 PolarHBondContact O-N 3.34Å; K102-N104 PolarHBondContact O-N 2.65Å
103S29.1Very low33.7Very low108 Ų10882 Ų8276%0.75545%0.445SS*.SBendtrans-57121.7172.443.90000110I101I101-S103 PolarHBondContact O-N 3.24Å
104N33.6Very low33.5Very low147 Ų14785.8 Ų85.879%0.78647%0.467SS*.  trans80155.8172.9-72.5-20.8000119.1K102K102-N104 PolarHBondContact O-N 2.65Å
105P39.3Very low33.4Very low106 Ų10688.9 Ų88.969%0.68848%0.475SS*.  cis-129.9170.64.324.7-0.6000116.1
106S35.5Very low33.3Very low75 Ų7594 Ų9452%0.52451%0.512SS..  trans60.697.6160.457.20000118.5
107C37.9Very low33.3Very low29 Ų2993.4 Ų93.420%0.19651%0.513CS..EExtended strand (participates in β ladder)trans-85.8133.3157.9-48.80000108.5C120 H121 C151C107-C120 HydrophobicContact CB-CB 3.92Å; C107-H121 CarbonylContact C-O 3.52Å; C107-H121 VanDerWaalsContact CA-O 3.27Å; C107-H121 WeakPolarHBondContact CA-O 3.16Å; C107-C151 WeakPolarHBondContact CB-SG 3.47Å; C107-C151 WeakPolarHBondContact SG-CB 3.2Å; C107-C151 CovalentContact SG-SG 2.08Å; C107-C151 PolarHBondContact SG-SG 2.91Å
108C34.5Very low33.6Very low24 Ų2488.7 Ų88.716%0.16250%0.501CS..EExtended strand (participates in β ladder)trans-101.7134.7177.249.80000111.1V110 C120 H121 C134C108-V110 PolarHBondContact O-N 3.27Å; C108-C120 CarbonylContact O-C 3.48Å; C108-C120 VanDerWaalsContact O-CA 3.24Å; C108-C120 WeakPolarHBondContact O-CA 3.36Å; C108-H121 PolarHBondContact N-O 3.1Å; C108-H121 PolarHBondContact O-N 3.42Å; C108-H121 PolarHBondContact SG-O 3.28Å; C108-C134 HydrophobicContact CB-CB 4.18Å; C108-C134 WeakPolarHBondContact CB-SG 3.26Å; C108-C134 WeakPolarHBondContact SG-CB 3.47Å; C108-C134 CovalentContact SG-SG 2.07Å; C108-C134 PolarHBondContact SG-SG 2.76Å
109K39.8Very low33.8Very low84 Ų8486.9 Ų86.937%0.36549%0.493SS..EExtended strand (participates in β ladder)trans-73.5119.4174.3-170.9-178-179.9-172.70109.8N118 H144K109-N118 HydrophobicContact CD-CB 4.41Å; K109-N118 VanDerWaalsContact CE-CB 3.44Å; K109-N118 WeakPolarHBondContact CE-ND2 3.2Å; K109-N118 VanDerWaalsContact CE-OD1 3.27Å; K109-N118 WeakPolarHBondContact CE-OD1 3.08Å; K109-N118 HydrophobicContact CG-CB 4.18Å; K109-H144 PolarHBondContact N-O 2.98Å
110V37.6Very low34.4Very low17 Ų1784.1 Ų84.110%0.10348%0.479CS..EExtended strand (participates in β ladder)trans-98.9120.7172.9-173.10000107.9C108 C119 H121 L133C108-V110 PolarHBondContact O-N 3.27Å; V110-C119 PolarHBondContact N-O 2.99Å; V110-C119 PolarHBondContact O-N 2.84Å; V110-H121 HydrophobicContact CG2-CB 4.17Å; V110-L133 HydrophobicContact CG1-CD1 4.14Å
111H36.3Very low35Very low112 Ų11282.6 Ų82.652%0.51947%0.465SS..  trans-91105.6172.2-161.963.5000108T113 N118 L133H111-T113 PolarHBondContact O-N 3.11Å; H111-N118 PolarHBondContact ND1-OD1 2.94Å; H111-L133 VanDerWaalsContact O-CD1 3.3Å; H111-L133 WeakPolarHBondContact O-CD1 3.5Å
112S35.1Very low35.4Very low37 Ų3785.4 Ų85.426%0.25947%0.472SS..  trans-80.3116.2171.6177.50000108.1T114 Y115S112-T114 PolarHBondContact O-N 3.14Å; S112-T114 PolarHBondContact OG-OG1 3.16Å; S112-Y115 WeakPolarHBondContact CB-O 3.16Å; S112-Y115 CarbonylContact O-C 3.56Å; S112-Y115 PolarHBondContact O-N 3.07Å; S112-Y115 PolarHBondContact OG-N 3.35Å
113T34.9Very low35.7Very low139 Ų13981.4 Ų81.485%0.85345%0.453SS*.SBendtrans-62.7-23.3178.248.60000112.5H111H111-T113 PolarHBondContact O-N 3.11Å
114T34.6Very low36.1Very low107 Ų10781.8 Ų81.866%0.65644%0.439SS*.SBendtrans-93.2-18.9180390000114.3S112S112-T114 PolarHBondContact O-N 3.14Å; S112-T114 PolarHBondContact OG-OG1 3.16Å
115Y32.3Very low36Very low128 Ų12878.7 Ų78.750%0.50243%0.427SS..SBendtrans-135.5110.4-178.1-57.6-73.9000106.7S112 T117S112-Y115 WeakPolarHBondContact CB-O 3.16Å; S112-Y115 CarbonylContact O-C 3.56Å; S112-Y115 PolarHBondContact O-N 3.07Å; S112-Y115 PolarHBondContact OG-N 3.35Å; Y115-T117 PolarHBondContact O-N 3.1Å
116S32.3Very low35.7Very low116 Ų11683.6 Ų83.681%0.81144%0.437SS*.  trans-61.518.7179.753.40000114.5
117T31Very low35.4Very low89 Ų8983.9 Ų83.955%0.54643%0.432SS..  trans-96102.317745.50000109.9Y115 C119Y115-T117 PolarHBondContact O-N 3.1Å; T117-C119 PolarHBondContact O-N 2.87Å
118N34.6Very low34.8Very low77 Ų7787 Ų8741%0.41245%0.447SS..  trans-67.5109.2170-65.6-49.5000109.5K109 H111K109-N118 HydrophobicContact CD-CB 4.41Å; K109-N118 VanDerWaalsContact CE-CB 3.44Å; K109-N118 WeakPolarHBondContact CE-ND2 3.2Å; K109-N118 VanDerWaalsContact CE-OD1 3.27Å; K109-N118 WeakPolarHBondContact CE-OD1 3.08Å; K109-N118 HydrophobicContact CG-CB 4.18Å; H111-N118 PolarHBondContact ND1-OD1 2.94Å
119C36.4Very low34.6Very low31 Ų3194 Ų9421%0.20948%0.482CS..EExtended strand (participates in β ladder)trans-109.4135.5177.8-77.50000110.9V110 T117V110-C119 PolarHBondContact N-O 2.99Å; V110-C119 PolarHBondContact O-N 2.84Å; T117-C119 PolarHBondContact O-N 2.87Å
120C39.7Very low34.2Very low10 Ų1093 Ų937%0.06848%0.482CS..EExtended strand (participates in β ladder)trans-92112.1176.2-620000110.7C107 C108 C146 C149 C154C107-C120 HydrophobicContact CB-CB 3.92Å; C108-C120 CarbonylContact O-C 3.48Å; C108-C120 VanDerWaalsContact O-CA 3.24Å; C108-C120 WeakPolarHBondContact O-CA 3.36Å; C120-C146 HydrophobicContact CB-CB 4.1Å; C120-C146 WeakPolarHBondContact CB-SG 3.31Å; C120-C146 WeakPolarHBondContact SG-CB 3.39Å; C120-C146 CovalentContact SG-SG 2.05Å; C120-C146 PolarHBondContact SG-SG 2.86Å; C120-C149 HydrophobicContact CB-CB 4.01Å; C120-C149 PolarHBondContact SG-SG 2.63Å; C120-C154 PolarHBondContact N-SG 2.91Å; C120-C154 PolarHBondContact O-SG 2.8Å
121H41Very low33.9Very low64 Ų6494.5 Ų94.530%0.29649%0.49SS..EExtended strand (participates in β ladder)trans-96.5146.3-179.4-77.9-103.8000111.9C107 C108 V110C107-H121 CarbonylContact C-O 3.52Å; C107-H121 VanDerWaalsContact CA-O 3.27Å; C107-H121 WeakPolarHBondContact CA-O 3.16Å; C108-H121 PolarHBondContact N-O 3.1Å; C108-H121 PolarHBondContact O-N 3.42Å; C108-H121 PolarHBondContact SG-O 3.28Å; V110-H121 HydrophobicContact CG2-CB 4.17Å
122R39.5Very low33.5Very low111 Ų11193.3 Ų93.342%0.41949%0.492SS..EExtended strand (participates in β ladder)trans-70128.3171.2-166.7175.4-166.5-175.47.7108.8Y124R122-Y124 HydrophobicContact CB-CD2 4.18Å; R122-Y124 HydrophobicContact CB-CE2 3.87Å; R122-Y124 HydrophobicContact CG-CD2 4.4Å; R122-Y124 HydrophobicContact CG-CE2 4.02Å; R122-Y124 PolarHBondContact NH1-OH 3.44Å; R122-Y124 WeakPolarHBondContact O-CD2 3.42Å; R122-Y124 PolarHBondContact O-N 3.3Å; R122-Y124 VanDerWaalsContact O-N 3.14Å
123Y35.4Very low33.2Very low99 Ų9996.3 Ų96.339%0.38851%0.505SS..  trans-64.6114.1173.5-171.5-95000109.3C134Y123-C134 HydrophobicContact CD2-CB 4.48Å
124Y37.9Very low33Very low116 Ų11690.9 Ų90.946%0.45547%0.472SS..  trans-117.6121.1169.2-79-79.7000107.4R122 K126 L127R122-Y124 HydrophobicContact CB-CD2 4.18Å; R122-Y124 HydrophobicContact CB-CE2 3.87Å; R122-Y124 HydrophobicContact CG-CD2 4.4Å; R122-Y124 HydrophobicContact CG-CE2 4.02Å; R122-Y124 PolarHBondContact NH1-OH 3.44Å; R122-Y124 WeakPolarHBondContact O-CD2 3.42Å; R122-Y124 PolarHBondContact O-N 3.3Å; R122-Y124 VanDerWaalsContact O-N 3.14Å; Y124-K126 PolarHBondContact O-N 2.84Å; Y124-K126 VanDerWaalsContact O-N 3.13Å; Y124-L127 HydrophobicContact CD2-CD1 3.87Å; Y124-L127 HydrophobicContact CG-CD1 4.22Å; Y124-L127 PolarHBondContact O-N 3.12Å
125P30.8Very low32.7Very low82 Ų8288.5 Ų88.553%0.53246%0.455SS..G310 helixtrans-58.3-29.4176.1-2.83.5000111.7L127 L128P125-L127 VanDerWaalsContact C-N 3.25Å; P125-L127 PolarHBondContact O-N 3.1Å; P125-L128 WeakPolarHBondContact O-CB 3.39Å; P125-L128 WeakPolarHBondContact O-CD1 3.42Å; P125-L128 WeakPolarHBondContact O-CG 3.42Å; P125-L128 PolarHBondContact O-N 3.41Å
126K33Very low32.5Very low208 Ų20889.9 Ų89.990%0.90446%0.461SS*.G310 helixtrans-75.2-7.6177.1-66.6-169.3175.9-1710114.8Y124Y124-K126 PolarHBondContact O-N 2.84Å; Y124-K126 VanDerWaalsContact O-N 3.13Å
127L29.1Very low32.5Very low81 Ų8193 Ų9342%0.42446%0.462SS..G310 helixtrans-96.511.9175-83.9165.6000112.9Y124 P125 L129 V130Y124-L127 HydrophobicContact CD2-CD1 3.87Å; Y124-L127 HydrophobicContact CG-CD1 4.22Å; Y124-L127 PolarHBondContact O-N 3.12Å; P125-L127 VanDerWaalsContact C-N 3.25Å; P125-L127 PolarHBondContact O-N 3.1Å; L127-L129 PolarHBondContact O-N 3.42Å; L127-V130 HydrophobicContact CD2-CB 3.99Å; L127-V130 HydrophobicContact CD2-CG2 3.82Å; L127-V130 PolarHBondContact O-N 3.27Å
128L25.9Very low32.4Very low96 Ų9692.7 Ų92.750%0.50346%0.457SS..THydrogen-bonded Turntrans-43.8-32.6176.1-88.5161.1000114P125 N135P125-L128 WeakPolarHBondContact O-CB 3.39Å; P125-L128 WeakPolarHBondContact O-CD1 3.42Å; P125-L128 WeakPolarHBondContact O-CG 3.42Å; P125-L128 PolarHBondContact O-N 3.41Å; L128-N135 PolarHBondContact O-ND2 3.43Å
129L29.9Very low32.3Very low171 Ų17197.5 Ų97.590%0.89548%0.477SS*.THydrogen-bonded Turntrans-84.6-20.4-177.5-90.3130.5000115.2L127L127-L129 PolarHBondContact O-N 3.42Å
130V31.3Very low32.2Very low62 Ų62102 Ų10238%0.37650%0.495SS..THydrogen-bonded Turntrans-100.2-27.1-166-172.80000113L127 W170L127-V130 HydrophobicContact CD2-CB 3.99Å; L127-V130 HydrophobicContact CD2-CG2 3.82Å; L127-V130 PolarHBondContact O-N 3.27Å; V130-W170 HydrophobicContact CG1-CH2 4.14Å; V130-W170 HydrophobicContact CG1-CZ3 3.65Å
131N30.2Very low31.9Very low49 Ų49104.8 Ų104.826%0.26251%0.512SS..  trans-137.185-175.4-84.1-33.4000111.8L133 C134N131-L133 PolarHBondContact O-N 3.31Å; N131-C134 PolarHBondContact O-N 3.22Å; N131-C134 VanDerWaalsContact O-N 3.12Å
132P28.5Very low31.5Very low87 Ų87106.4 Ų106.457%0.56552%0.522SS*.G310 helixtrans-61.3-19.2-176.222.2-31.7000113.9C134 N135P132-C134 VanDerWaalsContact C-N 3.28Å; P132-C134 PolarHBondContact O-N 2.71Å; P132-N135 VanDerWaalsContact O-CB 3.28Å; P132-N135 WeakPolarHBondContact O-CB 3.37Å; P132-N135 PolarHBondContact O-N 2.75Å
133L28.8Very low31.4Very low99 Ų99107.9 Ų107.952%0.51854%0.539SS..G310 helixtrans-70.4-20.7177.6-66.7175.4000114V110 H111 N131 N135V110-L133 HydrophobicContact CG1-CD1 4.14Å; H111-L133 VanDerWaalsContact O-CD1 3.3Å; H111-L133 WeakPolarHBondContact O-CD1 3.5Å; N131-L133 PolarHBondContact O-N 3.31Å; L133-N135 VanDerWaalsContact C-N 3.28Å
134C30.2Very low31.3Very low26 Ų26107.1 Ų107.118%0.17654%0.539CS..G310 helixtrans-87.90.7169.7-59.90000112.3C108 Y123 N131 P132C108-C134 HydrophobicContact CB-CB 4.18Å; C108-C134 WeakPolarHBondContact CB-SG 3.26Å; C108-C134 WeakPolarHBondContact SG-CB 3.47Å; C108-C134 CovalentContact SG-SG 2.07Å; C108-C134 PolarHBondContact SG-SG 2.76Å; Y123-C134 HydrophobicContact CD2-CB 4.48Å; N131-C134 PolarHBondContact O-N 3.22Å; N131-C134 VanDerWaalsContact O-N 3.12Å; P132-C134 VanDerWaalsContact C-N 3.28Å; P132-C134 PolarHBondContact O-N 2.71Å
135N29.8Very low31.2Very low56 Ų56108.9 Ų108.930%0.29954%0.544SS..  trans-94.2-7.9178-66.7-12.8000113.8L128 P132 L133 H137L128-N135 PolarHBondContact O-ND2 3.43Å; P132-N135 VanDerWaalsContact O-CB 3.28Å; P132-N135 WeakPolarHBondContact O-CB 3.37Å; P132-N135 PolarHBondContact O-N 2.75Å; L133-N135 VanDerWaalsContact C-N 3.28Å; N135-H137 PolarHBondContact O-N 2.95Å
136Y27.5Very low31.5Very low158 Ų158106.5 Ų106.562%0.6253%0.529SS*.  trans-7394.9179.3-111.3-108000109D138 V141Y136-D138 HydrophobicContact CD1-CB 3.4Å; Y136-D138 WeakPolarHBondContact CD1-OD2 3.12Å; Y136-D138 HydrophobicContact CE1-CB 4.05Å; Y136-D138 VanDerWaalsContact CE1-OD2 3.24Å; Y136-D138 WeakPolarHBondContact CE1-OD2 3.03Å; Y136-D138 HydrophobicContact CG-CB 4.32Å; Y136-D138 PolarHBondContact O-N 3.43Å; Y136-V141 WeakPolarHBondContact O-CG2 3.33Å
137H31.2Very low31.4Very low182 Ų182101.9 Ų101.984%0.84352%0.518SS*.  trans-65.122.1167.7-102.1-72.4000113.1N135N135-H137 PolarHBondContact O-N 2.95Å
138D29.9Very low31.7Very low82 Ų82106.3 Ų106.344%0.43954%0.536SS..SBendtrans-99141.1-171.1-138.3-17000107.8Y136 Q140 V141Y136-D138 HydrophobicContact CD1-CB 3.4Å; Y136-D138 WeakPolarHBondContact CD1-OD2 3.12Å; Y136-D138 HydrophobicContact CE1-CB 4.05Å; Y136-D138 VanDerWaalsContact CE1-OD2 3.24Å; Y136-D138 WeakPolarHBondContact CE1-OD2 3.03Å; Y136-D138 HydrophobicContact CG-CB 4.32Å; Y136-D138 PolarHBondContact O-N 3.43Å; D138-Q140 PolarHBondContact O-N 2.83Å; D138-V141 PolarHBondContact O-N 2.85Å
139E33.1Very low32Very low177 Ų177104.1 Ų104.183%0.82753%0.529SS*.THydrogen-bonded Turntrans-52.1-14.8-169.2-65.3-177141.400114.4V141 N142E139-V141 PolarHBondContact O-N 3.46Å; E139-V141 VanDerWaalsContact O-N 3.17Å; E139-N142 PolarHBondContact O-N 3.43Å
140Q33.9Very low32.2Very low126 Ų126102.5 Ų102.559%0.58952%0.52SS*.THydrogen-bonded Turntrans-60.2-14.7170.8-59.9-162.719.500115.5D138 N142 N143 H144D138-Q140 PolarHBondContact O-N 2.83Å; Q140-N142 PolarHBondContact O-N 3.09Å; Q140-N143 PolarHBondContact O-N 2.77Å; Q140-H144 PolarHBondContact O-ND1 2.83Å
141V33.3Very low32.4Very low68 Ų68101.6 Ų101.641%0.41252%0.516SS..Hα-helixtrans-59.4-29.6175.2176.10000111.7Y136 D138 E139 N143 H144 R145Y136-V141 WeakPolarHBondContact O-CG2 3.33Å; D138-V141 PolarHBondContact O-N 2.85Å; E139-V141 PolarHBondContact O-N 3.46Å; E139-V141 VanDerWaalsContact O-N 3.17Å; V141-N143 PolarHBondContact O-N 3.2Å; V141-H144 CarbonylContact O-C 3.56Å; V141-H144 PolarHBondContact O-N 3.4Å; V141-R145 HydrophobicContact CG1-CG 4.49Å; V141-R145 WeakPolarHBondContact O-CG 3.43Å; V141-R145 PolarHBondContact O-N 3.21Å
142N32.7Very low32.4Very low98 Ų98104.2 Ų104.252%0.52453%0.527SS..Hα-helixtrans-60.5-33.1176.2-81.2-24.4000112.7E139 Q140 H144 R145E139-N142 PolarHBondContact O-N 3.43Å; Q140-N142 PolarHBondContact O-N 3.09Å; N142-H144 VanDerWaalsContact C-N 3.32Å; N142-R145 PolarHBondContact OD1-NE 3.49Å; N142-R145 PolarHBondContact OD1-NH1 2.89Å; N142-R145 PolarHBondContact OD1-NH2 3.05Å
143N37.3Very low32.3Very low142 Ų142104 Ų10476%0.75953%0.526SS*.Hα-helixtrans-78.8-15.6176.1-68.6-17.5000113.2Q140 V141Q140-N143 PolarHBondContact O-N 2.77Å; V141-N143 PolarHBondContact O-N 3.2Å
144H33.4Very low32.5Very low84 Ų84100.7 Ų100.739%0.38951%0.511SS..Hα-helixtrans-107.30.3-178-63.888.5000113.6K109 Q140 V141 N142 C146K109-H144 PolarHBondContact N-O 2.98Å; Q140-H144 PolarHBondContact O-ND1 2.83Å; V141-H144 CarbonylContact O-C 3.56Å; V141-H144 PolarHBondContact O-N 3.4Å; N142-H144 VanDerWaalsContact C-N 3.32Å; H144-C146 PolarHBondContact O-N 3.43Å
145R35.8Very low32.4Very low153 Ų153103.3 Ų103.358%0.57752%0.522SS*.BIsolated β-bridgetrans-61.3121.7170.6-79.8176.1-179.1-174.92.7108.5V141 N142 V147V141-R145 HydrophobicContact CG1-CG 4.49Å; V141-R145 WeakPolarHBondContact O-CG 3.43Å; V141-R145 PolarHBondContact O-N 3.21Å; N142-R145 PolarHBondContact OD1-NE 3.49Å; N142-R145 PolarHBondContact OD1-NH1 2.89Å; N142-R145 PolarHBondContact OD1-NH2 3.05Å; R145-V147 VanDerWaalsContact C-N 3.28Å; R145-V147 WeakPolarHBondContact O-CG2 3.1Å; R145-V147 PolarHBondContact O-N 2.88Å
146C35.8Very low32.2Very low31 Ų31106 Ų10621%0.20953%0.533CS..  trans-7386.5174.4-54.70000108.8C120 H144 H148 C149C120-C146 HydrophobicContact CB-CB 4.1Å; C120-C146 WeakPolarHBondContact CB-SG 3.31Å; C120-C146 WeakPolarHBondContact SG-CB 3.39Å; C120-C146 CovalentContact SG-SG 2.05Å; C120-C146 PolarHBondContact SG-SG 2.86Å; H144-C146 PolarHBondContact O-N 3.43Å; C146-H148 PolarHBondContact O-N 3.39Å; C146-C149 HydrophobicContact CB-CB 3.58Å; C146-C149 PolarHBondContact O-N 2.79Å
147V32.9Very low32.1Very low112 Ų112101 Ų10168%0.67952%0.521SS*.THydrogen-bonded Turntrans-59.6-17.8-173.3-176.60000112.8R145R145-V147 VanDerWaalsContact C-N 3.28Å; R145-V147 WeakPolarHBondContact O-CG2 3.1Å; R145-V147 PolarHBondContact O-N 2.88Å
148H33.5Very low31.9Very low173 Ų173100 Ų10080%0.80152%0.515SS*.THydrogen-bonded Turntrans-135.217.7178.9-61.6-63000115.3C146 L150C146-H148 PolarHBondContact O-N 3.39Å; H148-L150 PolarHBondContact O-N 3.14Å; H148-L150 VanDerWaalsContact O-N 3.1Å
149C33Very low31.8Very low51 Ų51103.3 Ų103.335%0.34552%0.521SS..  trans-83.291.4171.8-91.10000110.6C120 C146 C151C120-C149 HydrophobicContact CB-CB 4.01Å; C120-C149 PolarHBondContact SG-SG 2.63Å; C146-C149 HydrophobicContact CB-CB 3.58Å; C146-C149 PolarHBondContact O-N 2.79Å; C149-C151 VanDerWaalsContact C-N 3.32Å; C149-C151 PolarHBondContact O-N 3.04Å
150L34.5Very low31.4Very low137 Ų137100 Ų10072%0.71751%0.513SS*.  trans-55.5109.1142.8-70165.4000105.1H148 Q152H148-L150 PolarHBondContact O-N 3.14Å; H148-L150 VanDerWaalsContact O-N 3.1Å; L150-Q152 PolarHBondContact O-N 2.94Å
151C34.5Very low31Very low42 Ų4297.4 Ų97.428%0.28451%0.509SS..THydrogen-bonded Turntrans-56.39.1-174.2-1060000114.4C107 C149 C153 C154C107-C151 WeakPolarHBondContact CB-SG 3.47Å; C107-C151 WeakPolarHBondContact SG-CB 3.2Å; C107-C151 CovalentContact SG-SG 2.08Å; C107-C151 PolarHBondContact SG-SG 2.91Å; C149-C151 VanDerWaalsContact C-N 3.32Å; C149-C151 PolarHBondContact O-N 3.04Å; C151-C153 VanDerWaalsContact C-N 3.34Å; C151-C153 PolarHBondContact O-N 2.98Å; C151-C154 PolarHBondContact O-N 3.15Å
152Q30.8Very low30.7Very low104 Ų10499.6 Ų99.649%0.48653%0.527SS..Hα-helixtrans-58.7-34.8172.8-146.8163.88.800113.2L150 I155 Q156L150-Q152 PolarHBondContact O-N 2.94Å; Q152-I155 PolarHBondContact O-N 2.85Å; Q152-Q156 PolarHBondContact O-N 3.37Å
153C27.3Very low30.3Very low82 Ų82100 Ų10055%0.55453%0.533SS*.Hα-helixtrans-69.3-35178.4-72.60000113.4C151 I155 Q156 S157C151-C153 VanDerWaalsContact C-N 3.34Å; C151-C153 PolarHBondContact O-N 2.98Å; C153-I155 VanDerWaalsContact C-N 3.34Å; C153-Q156 PolarHBondContact O-N 2.86Å; C153-Q156 VanDerWaalsContact O-N 3.16Å; C153-S157 PolarHBondContact O-N 3.38Å; C153-S157 VanDerWaalsContact O-N 3.11Å; C153-S157 PolarHBondContact O-OG 2.94Å
154C31.3Very low29.7Very low30 Ų30100.5 Ų100.520%0.20353%0.534CS..Hα-helixtrans-75.9-22.4178.7-77.60000113.4C120 C151 Q156 K158C120-C154 PolarHBondContact N-SG 2.91Å; C120-C154 PolarHBondContact O-SG 2.8Å; C151-C154 PolarHBondContact O-N 3.15Å; C154-Q156 VanDerWaalsContact C-N 3.33Å; C154-K158 PolarHBondContact O-N 2.84Å
155I29.5Very low29.2Very low81 Ų8199.7 Ų99.742%0.41554%0.536SS..Hα-helixtrans-70.3-35.1168.2-59.8173.4000109.6Q152 C153Q152-I155 PolarHBondContact O-N 2.85Å; C153-I155 VanDerWaalsContact C-N 3.34Å
156Q25.8Very low28.6Very low112 Ų11297.4 Ų97.452%0.52354%0.544SS..Hα-helixtrans-68.7-48.4176.3-76.9-178.2-29.700112.5Q152 C153 C154 K158 W159 T160Q152-Q156 PolarHBondContact O-N 3.37Å; C153-Q156 PolarHBondContact O-N 2.86Å; C153-Q156 VanDerWaalsContact O-N 3.16Å; C154-Q156 VanDerWaalsContact C-N 3.33Å; Q156-K158 PolarHBondContact O-N 2.98Å; Q156-W159 PolarHBondContact O-N 2.84Å; Q156-T160 PolarHBondContact O-N 3.44Å; Q156-T160 VanDerWaalsContact O-N 3.14Å; Q156-T160 PolarHBondContact O-OG1 3.05Å; Q156-T160 VanDerWaalsContact O-OG1 3.1Å
157S24.3Very low28Very low53 Ų53100.1 Ų100.137%0.37156%0.562SS.*Hα-helixtrans-69.1-32.2-172.9500000114.5C153 W159C153-S157 PolarHBondContact O-N 3.38Å; C153-S157 VanDerWaalsContact O-N 3.11Å; C153-S157 PolarHBondContact O-OG 2.94Å; S157-W159 VanDerWaalsContact C-N 3.3Å; S157-W159 PolarHBondContact O-N 3.27Å
158K27.6Very low27.7Very low162 Ų16299.6 Ų99.670%0.70456%0.563SS**Hα-helixtrans-69.8-26.6176.7-120.4-172.4-177.5-169.70113.6C154 Q156C154-K158 PolarHBondContact O-N 2.84Å; Q156-K158 PolarHBondContact O-N 2.98Å
159W27.2Very low27.3Very low152 Ų15298 Ų9858%0.57656%0.561SS**Hα-helixtrans-98.8-21.8-174.6-72.287.3000113.3Q156 S157 S161Q156-W159 PolarHBondContact O-N 2.84Å; S157-W159 VanDerWaalsContact C-N 3.3Å; S157-W159 PolarHBondContact O-N 3.27Å; W159-S161 VanDerWaalsContact C-N 3.34Å
160T26.1Very low26.8Very low108 Ų108104.2 Ų104.266%0.66358%0.577SS**SBendtrans-84.6-5.2172.953.90000113.9Q156 S162Q156-T160 PolarHBondContact O-N 3.44Å; Q156-T160 VanDerWaalsContact O-N 3.14Å; Q156-T160 PolarHBondContact O-OG1 3.05Å; Q156-T160 VanDerWaalsContact O-OG1 3.1Å; T160-S162 VanDerWaalsContact C-N 3.33Å; T160-S162 PolarHBondContact O-N 3.03Å; T160-S162 VanDerWaalsContact O-N 3.07Å
161S23.8Very low26.2Very low70 Ų70104.8 Ų104.849%0.4958%0.576SS.*  trans-84.476.4176.8-178.60000111W159 V163W159-S161 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 2.78Å; S161-V163 PolarHBondContact OG-O 3.29Å
162S28.6Very low25.7Very low114 Ų114113.3 Ų113.380%0.79760%0.604SS**  trans-70.815154.648.80000112.9T160T160-S162 VanDerWaalsContact C-N 3.33Å; T160-S162 PolarHBondContact O-N 3.03Å; T160-S162 VanDerWaalsContact O-N 3.07Å
163V24.3Very low25.3Very low106 Ų106117.9 Ų117.964%0.64262%0.618SS**  trans-101.7102.8175.8-170.90000108.1S161 P165S161-V163 PolarHBondContact O-N 2.78Å; S161-V163 PolarHBondContact OG-O 3.29Å; V163-P165 WeakPolarHBondContact O-CD 3.5Å
164I23.1Very low25.2Very low153 Ų153122.2 Ų122.279%0.78563%0.63SS**  trans-49.2112.2164.7-61156.7000108.6
165P23.5Very low24.8Very low67 Ų67129.4 Ų129.444%0.43566%0.658SS.*  trans-87.3125.61507.515000105.3V163 C167V163-P165 WeakPolarHBondContact O-CD 3.5Å; P165-C167 PolarHBondContact O-N 2.85Å
166S23.8Very low24.8Very low106 Ų106131 Ų13174%0.74168%0.676SS**  trans-54.171.8164.744.60000111.3S168S166-S168 PolarHBondContact O-N 3.03Å; S166-S168 VanDerWaalsContact O-N 3.17Å
167C23.3Very low24.8Very low87 Ų87133.9 Ų133.959%0.58869%0.689SS**  trans-85.559.9162.2-65.60000107.3P165 N169P165-C167 PolarHBondContact O-N 2.85Å; C167-N169 PolarHBondContact O-N 3.49Å; C167-N169 VanDerWaalsContact O-N 3.08Å
168S26.4Very low24.7Very low101 Ų101144 Ų14471%0.70673%0.73SS**THydrogen-bonded Turntrans-68.81.7-177.7380000114.3S166S166-S168 PolarHBondContact O-N 3.03Å; S166-S168 VanDerWaalsContact O-N 3.17Å
169N24.7Very low24.6Very low140 Ų140143.1 Ų143.175%0.74973%0.732SS**THydrogen-bonded Turntrans-129.217.3-177.6-80.3-17.9000115.7C167 Q171C167-N169 PolarHBondContact O-N 3.49Å; C167-N169 VanDerWaalsContact O-N 3.08Å; N169-Q171 PolarHBondContact O-N 3.29Å; N169-Q171 VanDerWaalsContact O-N 3.14Å
170W21.9Very low24.5Very low182 Ų182142.6 Ų142.669%0.68974%0.74SS**  trans-89.770.5166.5-77.621.5000109.4V130 Y172V130-W170 HydrophobicContact CG1-CH2 4.14Å; V130-W170 HydrophobicContact CG1-CZ3 3.65Å; W170-Y172 PolarHBondContact O-N 3.22Å
171Q22.4Very low24.4Very low149 Ų149144.5 Ų144.570%0.69674%0.744SS**  trans-57.3106.8161.3-76.6177-23.500107N169 Y173N169-Q171 PolarHBondContact O-N 3.29Å; N169-Q171 VanDerWaalsContact O-N 3.14Å; Q171-Y173 VanDerWaalsContact C-N 3.3Å; Q171-Y173 PolarHBondContact O-N 3.43Å
172Y23.2Very low24.4Very low220 Ų220148.9 Ų148.986%0.86376%0.759SS**  trans-53.2100.8161.1-91.7-104.3000106.7W170 E174W170-Y172 PolarHBondContact O-N 3.22Å; Y172-E174 PolarHBondContact O-N 3.01Å
173Y22.5Very low24.1Very low201 Ų201151.1 Ų151.179%0.78876%0.757SS**  trans-67.184.5161.2-87.2-93.6000106.4Q171 K175Q171-Y173 VanDerWaalsContact C-N 3.3Å; Q171-Y173 PolarHBondContact O-N 3.43Å; Y173-K175 PolarHBondContact O-N 2.84Å
174E25.2Very low24.1Very low173 Ų173154.1 Ų154.181%0.80877%0.765SS**  trans-59.895.1151.5-82-175.6155.700105.8Y172 S176Y172-E174 PolarHBondContact O-N 3.01Å; E174-S176 PolarHBondContact O-N 2.77Å
175K24.4Very low24.2Very low181 Ų181154.1 Ų154.179%0.78776%0.763SS**  trans-62.693.3158.9-91.7-177.2170.3-176.50106.1Y173 H177Y173-K175 PolarHBondContact O-N 2.84Å; K175-H177 PolarHBondContact O-N 2.79Å; K175-H177 VanDerWaalsContact O-N 3.11Å
176S28.3Very low24.3Very low114 Ų114160.8 Ų160.880%0.79779%0.788SS**  trans-52.1111.715227.30000106.7E174 E178E174-S176 PolarHBondContact O-N 2.77Å; S176-E178 PolarHBondContact O-N 2.8Å
177H25.4Very low24.3Very low173 Ų173165.4 Ų165.480%0.80179%0.792SS**  trans-65.4116167-83-89.2000107.4K175K175-H177 PolarHBondContact O-N 2.79Å; K175-H177 VanDerWaalsContact O-N 3.11Å
178E24.1Very low24.4Very low264 Ų264172.5 Ų172.5100%1.23481%0.811SS**  trans31.50157.9-68.7172.9161.900119S176S176-E178 PolarHBondContact O-N 2.8Å

Retrieved 178 of 178 residues in 33 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).