A0A077ZKM6_TRITR Loading...

MCE and PqiA and DUF330 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,044 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
1M30.1Very low49.8Very low243 Ų243118.3 Ų118.3100%1.19761%0.606SS**  01030-72.1168.6158.700107.2
2C30.8Very low53Low114 Ų114108.9 Ų108.977%0.7756%0.559SS**  cis-138.5135.613-63.60000108.7H4C2-H4 PolarHBondContact O-N 3.42Å
3E28.5Very low55.5Low186 Ų186100.6 Ų100.687%0.86952%0.516SS*.  trans-47.6119150.7-65171.4123.300107.4
4H30.9Very low57.2Low141 Ų14198.8 Ų98.865%0.65352%0.517SS*.  trans17183.6156.2-82.4-42.7000109.2C2 H6C2-H4 PolarHBondContact O-N 3.42Å; H4-H6 AromaticContact CE1-NE2 3.8Å; H4-H6 AromaticContact ND1-CD2 3.43Å; H4-H6 PolarHBondContact ND1-CD2 2.85Å; H4-H6 AromaticContact ND1-NE2 3.32Å; H4-H6 PolarHBondContact ND1-NE2 3.27Å
5H39.1Very low58.5Low137 Ų13797.1 Ų97.163%0.63451%0.505SS*.  trans-125.481.4147.5-82.2-71.1000107.1A7H5-A7 PolarHBondContact O-N 3.3Å
6H37.6Very low59.9Low165 Ų16592.4 Ų92.476%0.76448%0.483SS*.  trans-66.562.8165.8-74.8-76000110H4 A8H4-H6 AromaticContact CE1-NE2 3.8Å; H4-H6 AromaticContact ND1-CD2 3.43Å; H4-H6 PolarHBondContact ND1-CD2 2.85Å; H4-H6 AromaticContact ND1-NE2 3.32Å; H4-H6 PolarHBondContact ND1-NE2 3.27Å; H6-A8 PolarHBondContact O-N 2.76Å; H6-A8 VanDerWaalsContact O-N 3.08Å
7A47.5Very low61.4Low56 Ų5689.3 Ų89.346%0.46347%0.467SS..  trans-63.5112170.700000107.8H5 K9H5-A7 PolarHBondContact O-N 3.3Å; A7-K9 PolarHBondContact O-N 3.46Å
8A57.2Low62.9Low45 Ų4586.1 Ų86.137%0.37245%0.45SS..  trans-49.7132.2-168.400000112.8H6 H10 R174 M183H6-A8 PolarHBondContact O-N 2.76Å; H6-A8 VanDerWaalsContact O-N 3.08Å; A8-H10 PolarHBondContact O-N 3.37Å; A8-R174 PolarHBondContact O-NH2 3.45Å; A8-M183 HydrophobicContact CB-SD 4.05Å
9K73.8Confident64.3Low160 Ų16081.5 Ų81.570%0.69643%0.426SS*.SBendtrans-52.2-4.8-177.9-70.7-179.2177.81780115.8A7 A21 L22A7-K9 PolarHBondContact O-N 3.46Å; K9-A21 CarbonylContact O-C 3.5Å; K9-A21 WeakPolarHBondContact O-CA 3.27Å; K9-L22 PolarHBondContact O-N 2.89Å
10H85.8Confident65.6Low47 Ų4778.4 Ų78.422%0.21841%0.41CS..EExtended strand (participates in β ladder)trans-125.2147.2-174.6-56.6102000111.4A8 L19 V20 R174 L190 I210A8-H10 PolarHBondContact O-N 3.37Å; H10-L19 HydrophobicContact CB-CD1 4.2Å; H10-V20 CarbonylContact C-O 3.28Å; H10-V20 WeakPolarHBondContact CA-O 3.46Å; H10-R174 PolarHBondContact O-NH1 3.29Å; H10-R174 PolarHBondContact O-NH2 2.99Å; H10-R174 VanDerWaalsContact O-NH2 3.11Å; H10-L190 HydrophobicContact CB-CD1 3.94Å; H10-I210 HydrophobicContact CB-CD1 4.4Å
11I86.5Confident66.7Low7 Ų777 Ų774%0.03641%0.41CS..EExtended strand (participates in β ladder)trans-141140.6172.1-166.2161.6000109.3V20 L22 L40I11-V20 HydrophobicContact CG2-CB 4.22Å; I11-V20 PolarHBondContact N-O 3.02Å; I11-V20 PolarHBondContact O-N 2.79Å; I11-L22 HydrophobicContact CB-CD1 3.93Å; I11-L22 HydrophobicContact CB-CG 4.31Å; I11-L22 HydrophobicContact CD1-CD1 4.47Å; I11-L22 HydrophobicContact CG2-CD1 3.86Å; I11-L22 HydrophobicContact CG2-CD2 3.86Å; I11-L22 HydrophobicContact CG2-CG 3.74Å; I11-L40 HydrophobicContact CD1-CB 4.23Å; I11-L40 VanDerWaalsContact CD1-O 3.31Å; I11-L40 WeakPolarHBondContact CD1-O 3.47Å; I11-L40 HydrophobicContact CG2-CB 3.98Å; I11-L40 HydrophobicContact CG2-CD1 3.71Å; I11-L40 HydrophobicContact CG2-CD2 4.06Å; I11-L40 HydrophobicContact CG2-CG 4.13Å
12L87.9Confident69.2Low6 Ų667 Ų673%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-91.5122.7171.8-153.383.5000108.5S14 D17 L19 I210L12-S14 PolarHBondContact O-N 3.41Å; L12-D17 WeakPolarHBondContact CD2-OD1 3.48Å; L12-L19 HydrophobicContact CB-CD1 4.47Å; L12-L19 HydrophobicContact CD1-CB 3.9Å; L12-L19 HydrophobicContact CD1-CD1 3.65Å; L12-L19 HydrophobicContact CD1-CG 4.4Å; L12-I210 HydrophobicContact CB-CG1 4.31Å
13C85.7Confident71.7Confident1 Ų165.8 Ų65.81%0.00735%0.352CS..  trans-61.6126.2175.6-1800000110.1Q15 C16 D17 M18 C33 C36 L40C13-Q15 PolarHBondContact O-N 3.22Å; C13-C16 VanDerWaalsContact SG-SG 3.64Å; C13-D17 VanDerWaalsContact O-CA 3.24Å; C13-D17 WeakPolarHBondContact O-CA 3Å; C13-D17 PolarHBondContact O-N 2.96Å; C13-D17 VanDerWaalsContact O-N 3.1Å; C13-M18 WeakPolarHBondContact CB-O 3.4Å; C13-M18 PolarHBondContact N-O 2.96Å; C13-C33 HydrophobicContact CB-CB 4.33Å; C13-C36 PolarHBondContact SG-SG 3.17Å; C13-L40 HydrophobicContact CB-CD2 3.87Å
14S79.5Confident74.2Confident75 Ų7568.7 Ų68.752%0.52436%0.355SS..THydrogen-bonded Turntrans-68.9-17.6-179.454.90000114.2L12L12-S14 PolarHBondContact O-N 3.41Å
15Q76.2Confident76.4Confident73 Ų7364.2 Ų64.234%0.34134%0.335SS..THydrogen-bonded Turntrans-97.3-61.8-177-62.5-67.5-9.500111.4C13 T38C13-Q15 PolarHBondContact O-N 3.22Å; Q15-T38 HydrophobicContact CG-CG2 3.79Å; Q15-T38 WeakPolarHBondContact CG-OG1 3.18Å
16C80.6Confident78.4Confident23 Ų2364 Ų6416%0.15534%0.335CS..THydrogen-bonded Turntrans-95.42.5-175.4760000115.1C13 M18 C33 R35 C36C13-C16 VanDerWaalsContact SG-SG 3.64Å; C16-M18 PolarHBondContact O-N 3.39Å; C16-M18 VanDerWaalsContact SG-CB 3.51Å; C16-C33 PolarHBondContact SG-SG 2.83Å; C16-R35 HydrophobicContact CB-CG 4.28Å; C16-R35 PolarHBondContact O-NH1 3.3Å; C16-R35 VanDerWaalsContact O-NH1 3.17Å; C16-C36 HydrophobicContact CB-CB 3.96Å; C16-C36 PolarHBondContact SG-SG 3.11Å
17D86.8Confident80.3Confident39 Ų3963.2 Ų63.221%0.20933%0.331CS..  trans62.57179.5-166.153000114.9L12 C13 L19 T195 G196 I197L12-D17 WeakPolarHBondContact CD2-OD1 3.48Å; C13-D17 VanDerWaalsContact O-CA 3.24Å; C13-D17 WeakPolarHBondContact O-CA 3Å; C13-D17 PolarHBondContact O-N 2.96Å; C13-D17 VanDerWaalsContact O-N 3.1Å; D17-L19 PolarHBondContact O-N 2.74Å; D17-T195 CarbonylContact O-C 3.58Å; D17-T195 WeakPolarHBondContact O-CA 3.22Å; D17-G196 PolarHBondContact O-N 3.49Å; D17-G196 PolarHBondContact OD2-N 2.93Å; D17-I197 WeakPolarHBondContact OD2-CB 3.24Å; D17-I197 WeakPolarHBondContact OD2-CG2 3.45Å; D17-I197 PolarHBondContact OD2-N 3.11Å
18M87.7Confident81.7Confident31 Ų3163.1 Ų63.115%0.15334%0.336CS..BIsolated β-bridgetrans-68.3128.3178.5-177.4171.3-8600110.8C13 C16 V20 P34 R35C13-M18 WeakPolarHBondContact CB-O 3.4Å; C13-M18 PolarHBondContact N-O 2.96Å; C16-M18 PolarHBondContact O-N 3.39Å; C16-M18 VanDerWaalsContact SG-CB 3.51Å; M18-V20 HydrophobicContact CB-CG2 4.49Å; M18-V20 HydrophobicContact CG-CG2 4.04Å; M18-V20 PolarHBondContact O-N 2.67Å; M18-V20 HydrophobicContact SD-CG2 4.48Å; M18-P34 HydrophobicContact SD-CG 3.96Å; M18-R35 HydrophobicContact CE-CB 3.76Å; M18-R35 HydrophobicContact CE-CG 4.2Å; M18-R35 HydrophobicContact SD-CB 3.7Å
19L90.2Very high83Confident0 Ų064.9 Ų64.90%034%0.336CS..EExtended strand (participates in β ladder)trans-76.5121.4168.7-170.680.9000109.4H10 L12 D17 L190 P192 G193 V194 I210H10-L19 HydrophobicContact CB-CD1 4.2Å; L12-L19 HydrophobicContact CB-CD1 4.47Å; L12-L19 HydrophobicContact CD1-CB 3.9Å; L12-L19 HydrophobicContact CD1-CD1 3.65Å; L12-L19 HydrophobicContact CD1-CG 4.4Å; D17-L19 PolarHBondContact O-N 2.74Å; L19-L190 HydrophobicContact CD2-CB 3.68Å; L19-L190 HydrophobicContact CD2-CD1 4.49Å; L19-L190 HydrophobicContact CD2-CD2 4.35Å; L19-L190 HydrophobicContact CD2-CG 4.41Å; L19-P192 CarbonylContact O-C 3.54Å; L19-P192 WeakPolarHBondContact O-CA 3.26Å; L19-G193 PolarHBondContact O-N 3.47Å; L19-V194 WeakPolarHBondContact CB-O 3.04Å; L19-V194 PolarHBondContact N-O 2.89Å; L19-V194 VanDerWaalsContact N-O 3.15Å; L19-I210 HydrophobicContact CD1-CD1 3.82Å
20V89.9Confident83.4Confident19 Ų1964.2 Ų64.212%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-117.3132.6-177.8-177.90000109.2H10 I11 M18 P34 L40H10-V20 CarbonylContact C-O 3.28Å; H10-V20 WeakPolarHBondContact CA-O 3.46Å; I11-V20 HydrophobicContact CG2-CB 4.22Å; I11-V20 PolarHBondContact N-O 3.02Å; I11-V20 PolarHBondContact O-N 2.79Å; M18-V20 HydrophobicContact CB-CG2 4.49Å; M18-V20 HydrophobicContact CG-CG2 4.04Å; M18-V20 PolarHBondContact O-N 2.67Å; M18-V20 HydrophobicContact SD-CG2 4.48Å; V20-P34 HydrophobicContact CG2-CG 4.34Å; V20-L40 HydrophobicContact CB-CD1 3.78Å; V20-L40 HydrophobicContact CG1-CD1 3.75Å; V20-L40 HydrophobicContact CG2-CD1 3.95Å
21A88.1Confident83.4Confident49 Ų4962.4 Ų62.441%0.40533%0.327SS..EExtended strand (participates in β ladder)trans-80.5121.8167.300000108.9K9 P192K9-A21 CarbonylContact O-C 3.5Å; K9-A21 WeakPolarHBondContact O-CA 3.27Å; A21-P192 HydrophobicContact CB-CB 4.17Å; A21-P192 HydrophobicContact CB-CG 3.94Å
22L83.8Confident83.4Confident32 Ų3264.7 Ų64.717%0.16835%0.346CS..PPolyproline II helixtrans-81.5129.1-179.8-70.9170.4000109.9K9 I11 A31 L40 T41K9-L22 PolarHBondContact O-N 2.89Å; I11-L22 HydrophobicContact CB-CD1 3.93Å; I11-L22 HydrophobicContact CB-CG 4.31Å; I11-L22 HydrophobicContact CD1-CD1 4.47Å; I11-L22 HydrophobicContact CG2-CD1 3.86Å; I11-L22 HydrophobicContact CG2-CD2 3.86Å; I11-L22 HydrophobicContact CG2-CG 3.74Å; L22-A31 HydrophobicContact CD2-CB 3.38Å; L22-L40 HydrophobicContact CD2-CB 4.27Å; L22-L40 HydrophobicContact CD2-CD1 4.18Å; L22-T41 HydrophobicContact CD1-CG2 3.69Å; L22-T41 HydrophobicContact CD2-CG2 3.76Å; L22-T41 HydrophobicContact CG-CG2 4.37Å
23P82.2Confident83.3Confident89 Ų8964.5 Ų64.558%0.57835%0.346SS*.PPolyproline II helixtrans-66.2165.2166.930.6-33.7000110.1L25P23-L25 HydrophobicContact CG-CD2 4.36Å; P23-L25 PolarHBondContact O-N 3.34Å; P23-L25 VanDerWaalsContact O-N 3.15Å
24R80.5Confident83.4Confident248 Ų24869.4 Ų69.494%0.93638%0.377SS*.  trans-64.1116164.9-74-177174.8173.5-2.2107.3
25L78.9Confident83.5Confident46 Ų4671.9 Ų71.924%0.24138%0.375CS..PPolyproline II helixtrans-89.2129.8177.9-67.1168.6000109.2P23 Q29 A31 T41 A43P23-L25 HydrophobicContact CG-CD2 4.36Å; P23-L25 PolarHBondContact O-N 3.34Å; P23-L25 VanDerWaalsContact O-N 3.15Å; L25-Q29 HydrophobicContact CB-CB 4.41Å; L25-Q29 HydrophobicContact CD2-CB 3.99Å; L25-A31 HydrophobicContact CD1-CB 4.03Å; L25-A31 HydrophobicContact CD2-CB 4.2Å; L25-T41 HydrophobicContact CD1-CG2 3.66Å; L25-A43 HydrophobicContact CB-CB 3.8Å
26E80Confident83.6Confident133 Ų13369.8 Ų69.862%0.62137%0.369SS*.PPolyproline II helixtrans-81.3164.2168.5-61-178.2159.900111.1G28 Q29 A43E26-G28 PolarHBondContact O-N 3.4Å; E26-Q29 HydrophobicContact CB-CG 4.16Å; E26-Q29 VanDerWaalsContact O-CB 3.3Å; E26-Q29 WeakPolarHBondContact O-CB 3.29Å; E26-Q29 PolarHBondContact O-N 3.27Å; E26-Q29 PolarHBondContact OE2-NE2 3.08Å; E26-A43 WeakPolarHBondContact O-CB 3.49Å
27H78.2Confident83.7Confident148 Ų14871.1 Ų71.169%0.68539%0.386SS*.THydrogen-bonded Turntrans-47.8120.4172.8-79.879.4000111.3D45H27-D45 WeakPolarHBondContact CB-OD1 3.5Å; H27-D45 IonicContact CD2-OD1 2.66Å; H27-D45 PolarHBondContact CD2-OD1 2.78Å; H27-D45 IonicContact CG-OD1 3.94Å
28G76.6Confident83.4Confident55 Ų5570.5 Ų70.557%0.56738%0.384SS*.THydrogen-bonded Turntrans88.5-6.1-17700000116E26 A43E26-G28 PolarHBondContact O-N 3.4Å; G28-A43 WeakPolarHBondContact CA-O 3.41Å; G28-A43 PolarHBondContact N-O 3.49Å
29Q83.7Confident83.1Confident81 Ų8172.4 Ų72.438%0.37940%0.397SS..  trans-86149.3179.9-62.6-178.7-1000112.6L25 E26 A43L25-Q29 HydrophobicContact CB-CB 4.41Å; L25-Q29 HydrophobicContact CD2-CB 3.99Å; E26-Q29 HydrophobicContact CB-CG 4.16Å; E26-Q29 VanDerWaalsContact O-CB 3.3Å; E26-Q29 WeakPolarHBondContact O-CB 3.29Å; E26-Q29 PolarHBondContact O-N 3.27Å; E26-Q29 PolarHBondContact OE2-NE2 3.08Å; Q29-A43 PolarHBondContact O-N 3.46Å
30K83.4Confident82.7Confident147 Ų14773.5 Ų73.564%0.63940%0.403SS*.EExtended strand (participates in β ladder)trans-120.1141.6174.266.2179.6-178.2178.90111T39 V42K30-T39 HydrophobicContact CB-CG2 4.28Å; K30-V42 HydrophobicContact CB-CG1 4.39Å; K30-V42 HydrophobicContact CB-CG2 3.91Å
31A86Confident82.4Confident9 Ų973.8 Ų73.87%0.07441%0.405CS..EExtended strand (participates in β ladder)trans-94.9126.8168.800000109.9L22 L25 T39 L40 T41L22-A31 HydrophobicContact CD2-CB 3.38Å; L25-A31 HydrophobicContact CD1-CB 4.03Å; L25-A31 HydrophobicContact CD2-CB 4.2Å; A31-T39 CarbonylContact O-C 3.6Å; A31-T39 WeakPolarHBondContact O-CA 3.42Å; A31-L40 HydrophobicContact CB-CB 4.28Å; A31-L40 PolarHBondContact O-N 3.15Å; A31-T41 HydrophobicContact CB-CG2 4.06Å; A31-T41 PolarHBondContact N-O 2.91Å
32A86.2Confident81.9Confident54 Ų5473 Ų7345%0.44639%0.394SS..EExtended strand (participates in β ladder)trans-107.1148.2172.800000110.5
33C85.9Confident81.7Confident3 Ų372.7 Ų72.72%0.0240%0.397CS..  trans-69.3126.6174.1-177.30000110C13 C16 R35 C36 G37 T38 L40C13-C33 HydrophobicContact CB-CB 4.33Å; C16-C33 PolarHBondContact SG-SG 2.83Å; C33-R35 PolarHBondContact O-N 3.43Å; C33-R35 VanDerWaalsContact O-N 3.11Å; C33-C36 VanDerWaalsContact CB-SG 3.57Å; C33-C36 PolarHBondContact O-N 3.4Å; C33-G37 WeakPolarHBondContact O-CA 3.39Å; C33-G37 PolarHBondContact O-N 3.34Å; C33-T38 PolarHBondContact N-O 3.32Å; C33-L40 HydrophobicContact CB-CD1 4.3Å; C33-L40 HydrophobicContact CB-CD2 4.02Å; C33-L40 HydrophobicContact CB-CG 4.17Å
34P86.8Confident81.3Confident103 Ų10373.1 Ų73.167%0.66939%0.387SS*.THydrogen-bonded Turntrans-67.7-14.2-177.527.8-35.2000113.8M18 V20M18-P34 HydrophobicContact SD-CG 3.96Å; V20-P34 HydrophobicContact CG2-CG 4.34Å
35R82.5Confident80.8Confident127 Ų12764 Ų6448%0.47936%0.357SS..THydrogen-bonded Turntrans-96.2-33.7-179.4179.5173.7-177.1-158.77.4114.5C16 M18 C33C16-R35 HydrophobicContact CB-CG 4.28Å; C16-R35 PolarHBondContact O-NH1 3.3Å; C16-R35 VanDerWaalsContact O-NH1 3.17Å; M18-R35 HydrophobicContact CE-CB 3.76Å; M18-R35 HydrophobicContact CE-CG 4.2Å; M18-R35 HydrophobicContact SD-CB 3.7Å; C33-R35 PolarHBondContact O-N 3.43Å; C33-R35 VanDerWaalsContact O-N 3.11Å
36C77.8Confident80.7Confident30 Ų3063.6 Ų63.620%0.20336%0.36CS..THydrogen-bonded Turntrans-131-1.2-172.859.20000113.8C13 C16 C33 T38 H322C13-C36 PolarHBondContact SG-SG 3.17Å; C16-C36 HydrophobicContact CB-CB 3.96Å; C16-C36 PolarHBondContact SG-SG 3.11Å; C33-C36 VanDerWaalsContact CB-SG 3.57Å; C33-C36 PolarHBondContact O-N 3.4Å; C36-T38 PolarHBondContact O-N 2.78Å; C36-T38 VanDerWaalsContact O-N 3.09Å; C36-T38 PolarHBondContact SG-OG1 3.03Å; C36-H322 PolarHBondContact O-CD2 3.05Å
37G82.5Confident80.4Confident50 Ų5059.2 Ų59.252%0.51534%0.344SS..  trans74.6-10.6-179.600000115.2C33 T39C33-G37 WeakPolarHBondContact O-CA 3.39Å; C33-G37 PolarHBondContact O-N 3.34Å; G37-T39 PolarHBondContact O-N 3.41Å
38T79.7Confident80.5Confident27 Ų2756.7 Ų56.717%0.16633%0.328CS..  trans-56.4130.1-179.2-48.50000111.7Q15 C33 C36 L40 H322Q15-T38 HydrophobicContact CG-CG2 3.79Å; Q15-T38 WeakPolarHBondContact CG-OG1 3.18Å; C33-T38 PolarHBondContact N-O 3.32Å; C36-T38 PolarHBondContact O-N 2.78Å; C36-T38 VanDerWaalsContact O-N 3.09Å; C36-T38 PolarHBondContact SG-OG1 3.03Å; T38-L40 PolarHBondContact O-N 3.4Å; T38-H322 PolarHBondContact OG1-NE2 2.81Å
39T82Confident80.8Confident71 Ų7161.1 Ų61.144%0.43633%0.334SS..EExtended strand (participates in β ladder)trans-64.4120175.2-55.10000110.2K30 A31 G37 V42K30-T39 HydrophobicContact CB-CG2 4.28Å; A31-T39 CarbonylContact O-C 3.6Å; A31-T39 WeakPolarHBondContact O-CA 3.42Å; G37-T39 PolarHBondContact O-N 3.41Å; T39-V42 HydrophobicContact CG2-CG2 3.53Å
40L82.8Confident80.6Confident23 Ų2361.7 Ų61.712%0.1233%0.333CS..EExtended strand (participates in β ladder)trans-85-44.7-176.5-65.1173.7000112.2I11 C13 V20 L22 A31 C33 T38I11-L40 HydrophobicContact CD1-CB 4.23Å; I11-L40 VanDerWaalsContact CD1-O 3.31Å; I11-L40 WeakPolarHBondContact CD1-O 3.47Å; I11-L40 HydrophobicContact CG2-CB 3.98Å; I11-L40 HydrophobicContact CG2-CD1 3.71Å; I11-L40 HydrophobicContact CG2-CD2 4.06Å; I11-L40 HydrophobicContact CG2-CG 4.13Å; C13-L40 HydrophobicContact CB-CD2 3.87Å; V20-L40 HydrophobicContact CB-CD1 3.78Å; V20-L40 HydrophobicContact CG1-CD1 3.75Å; V20-L40 HydrophobicContact CG2-CD1 3.95Å; L22-L40 HydrophobicContact CD2-CB 4.27Å; L22-L40 HydrophobicContact CD2-CD1 4.18Å; A31-L40 HydrophobicContact CB-CB 4.28Å; A31-L40 PolarHBondContact O-N 3.15Å; C33-L40 HydrophobicContact CB-CD1 4.3Å; C33-L40 HydrophobicContact CB-CD2 4.02Å; C33-L40 HydrophobicContact CB-CG 4.17Å; T38-L40 PolarHBondContact O-N 3.4Å
41T82.1Confident80.3Confident24 Ų2454.8 Ų54.815%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-163.3155.5178.8178.50000109L22 L25 A31 D172L22-T41 HydrophobicContact CD1-CG2 3.69Å; L22-T41 HydrophobicContact CD2-CG2 3.76Å; L22-T41 HydrophobicContact CG-CG2 4.37Å; L25-T41 HydrophobicContact CD1-CG2 3.66Å; A31-T41 HydrophobicContact CB-CG2 4.06Å; A31-T41 PolarHBondContact N-O 2.91Å; T41-D172 WeakPolarHBondContact CA-OD2 3.43Å; T41-D172 WeakPolarHBondContact CB-OD2 3.05Å; T41-D172 PolarHBondContact OG1-OD2 3.48Å
42V78.8Confident80.2Confident32 Ų3255.2 Ų55.219%0.19430%0.304CS..EExtended strand (participates in β ladder)trans-131.4128.1-179.9-176.30000108.9K30 T39 W44 D172K30-V42 HydrophobicContact CB-CG1 4.39Å; K30-V42 HydrophobicContact CB-CG2 3.91Å; T39-V42 HydrophobicContact CG2-CG2 3.53Å; V42-W44 HydrophobicContact CB-CZ2 4.33Å; V42-W44 HydrophobicContact CG1-CD2 3.87Å; V42-W44 HydrophobicContact CG1-CE3 4.38Å; V42-W44 HydrophobicContact CG1-CG 4.24Å; V42-W44 HydrophobicContact CG1-CH2 4.47Å; V42-W44 HydrophobicContact CG1-CZ2 3.96Å; V42-W44 PolarHBondContact O-N 2.82Å; V42-D172 PolarHBondContact N-OD2 2.82Å; V42-D172 VanDerWaalsContact N-OD2 3.17Å
43A79Confident80.1Confident27 Ų2755.2 Ų55.222%0.22331%0.305CS..  trans-86.293.317400000109.3L25 E26 G28 Q29L25-A43 HydrophobicContact CB-CB 3.8Å; E26-A43 WeakPolarHBondContact O-CB 3.49Å; G28-A43 WeakPolarHBondContact CA-O 3.41Å; G28-A43 PolarHBondContact N-O 3.49Å; Q29-A43 PolarHBondContact O-N 3.46Å
44W73.2Confident79.8Confident97 Ų9760.8 Ų60.837%0.36733%0.326SS..  trans-78.7140.2-179.4-64.4102.4000112.5V42V42-W44 HydrophobicContact CB-CZ2 4.33Å; V42-W44 HydrophobicContact CG1-CD2 3.87Å; V42-W44 HydrophobicContact CG1-CE3 4.38Å; V42-W44 HydrophobicContact CG1-CG 4.24Å; V42-W44 HydrophobicContact CG1-CH2 4.47Å; V42-W44 HydrophobicContact CG1-CZ2 3.96Å; V42-W44 PolarHBondContact O-N 2.82Å
45D71.1Confident79.5Confident56 Ų5656 Ų5630%0.29930%0.295SS..SBendtrans-66.3134.3164.6-55.3-35.4000110.1H27 R50H27-D45 WeakPolarHBondContact CB-OD1 3.5Å; H27-D45 IonicContact CD2-OD1 2.66Å; H27-D45 PolarHBondContact CD2-OD1 2.78Å; H27-D45 IonicContact CG-OD1 3.94Å; D45-R50 VanDerWaalsContact O-CD 3.26Å; D45-R50 WeakPolarHBondContact O-CD 3.42Å; D45-R50 PolarHBondContact O-NE 2.86Å; D45-R50 IonicContact OD2-NH2 3.36Å; D45-R50 PolarHBondContact OD2-NH2 2.89Å
46A76Confident79.5Confident38 Ų3854.4 Ų54.431%0.31430%0.296SS..SBendtrans50.162.4-179.600000112.7R48 Q49 R50A46-R48 PolarHBondContact O-N 2.85Å; A46-Q49 HydrophobicContact CB-CB 4.04Å; A46-Q49 HydrophobicContact CB-CG 4.45Å; A46-Q49 PolarHBondContact O-N 3.32Å; A46-R50 PolarHBondContact O-N 2.77Å; A46-R50 VanDerWaalsContact O-N 3.11Å
47P73.7Confident79.8Confident42 Ų4255.5 Ų55.527%0.27331%0.307SS..THydrogen-bonded Turntrans-62.4-15.3-17126.9-36.2000113.9P51 W175P47-P51 WeakPolarHBondContact O-CD 3.33Å; P47-P51 VanDerWaalsContact O-CG 3.24Å; P47-P51 WeakPolarHBondContact O-CG 3.13Å; P47-W175 HydrophobicContact CB-CD2 4.28Å; P47-W175 HydrophobicContact CB-CH2 4.49Å; P47-W175 HydrophobicContact CB-CZ2 3.94Å; P47-W175 HydrophobicContact CG-CZ2 4.06Å
48R81.1Confident79.6Confident95 Ų9555 Ų5536%0.35830%0.298SS..THydrogen-bonded Turntrans-91.1-47.2171.2-71.6-179.9-176.3165.97.7113.2A46 P51 T52 V122 R124 W175 D179A46-R48 PolarHBondContact O-N 2.85Å; R48-P51 WeakPolarHBondContact O-CD 3.47Å; R48-T52 WeakPolarHBondContact O-CB 3.21Å; R48-T52 PolarHBondContact O-N 3.49Å; R48-T52 PolarHBondContact O-OG1 2.95Å; R48-V122 HydrophobicContact CB-CG1 4.01Å; R48-V122 HydrophobicContact CG-CG1 4.04Å; R48-V122 WeakPolarHBondContact O-CG1 3.49Å; R48-R124 VanDerWaalsContact NH2-NE 3.12Å; R48-W175 HydrophobicContact CG-CH2 3.57Å; R48-W175 HydrophobicContact CG-CZ2 3.72Å; R48-D179 IonicContact NH2-OD1 3.84Å; R48-D179 IonicContact NH2-OD2 2.66Å
49Q82.8Confident79.7Confident148 Ų14856.3 Ų56.369%0.69230%0.303SS*.Hα-helixtrans-69.7-41.2-172-65.2178.2-11.700112.1A46 T52 A53A46-Q49 HydrophobicContact CB-CB 4.04Å; A46-Q49 HydrophobicContact CB-CG 4.45Å; A46-Q49 PolarHBondContact O-N 3.32Å; Q49-T52 PolarHBondContact O-N 2.86Å; Q49-A53 VanDerWaalsContact O-CB 3.26Å; Q49-A53 WeakPolarHBondContact O-CB 3.3Å; Q49-A53 PolarHBondContact O-N 2.94Å
50R78.3Confident79.8Confident92 Ų9258.8 Ų58.835%0.34731%0.308SS..Hα-helixtrans-62.2-53.5-179.1-73.2-173.8178.7172.95.3112D45 A46 T52 A53 Y54D45-R50 VanDerWaalsContact O-CD 3.26Å; D45-R50 WeakPolarHBondContact O-CD 3.42Å; D45-R50 PolarHBondContact O-NE 2.86Å; D45-R50 IonicContact OD2-NH2 3.36Å; D45-R50 PolarHBondContact OD2-NH2 2.89Å; A46-R50 PolarHBondContact O-N 2.77Å; A46-R50 VanDerWaalsContact O-N 3.11Å; R50-T52 VanDerWaalsContact C-N 3.32Å; R50-T52 PolarHBondContact O-N 3.32Å; R50-A53 PolarHBondContact O-N 2.99Å; R50-Y54 HydrophobicContact CB-CD2 4.44Å; R50-Y54 HydrophobicContact CB-CE2 4.05Å; R50-Y54 WeakPolarHBondContact O-CD2 3.42Å; R50-Y54 PolarHBondContact O-N 2.76Å
51P79Confident79.7Confident3 Ų362.2 Ų62.22%0.01933%0.325CS..Hα-helixtrans-61.9-37.9177.4-25.437000113.5P47 R48 Y54 A55 I118 V122 C170 V171P47-P51 WeakPolarHBondContact O-CD 3.33Å; P47-P51 VanDerWaalsContact O-CG 3.24Å; P47-P51 WeakPolarHBondContact O-CG 3.13Å; R48-P51 WeakPolarHBondContact O-CD 3.47Å; P51-Y54 PolarHBondContact O-N 2.93Å; P51-A55 WeakPolarHBondContact O-CB 3.49Å; P51-A55 PolarHBondContact O-N 3.47Å; P51-I118 HydrophobicContact CB-CG2 4.26Å; P51-V122 HydrophobicContact CB-CG2 4.36Å; P51-C170 HydrophobicContact CB-CB 4.37Å; P51-C170 HydrophobicContact CG-CB 4.18Å; P51-C170 WeakPolarHBondContact CG-O 3.42Å; P51-V171 HydrophobicContact CB-CG2 3.56Å; P51-V171 HydrophobicContact CG-CG2 3.8Å
52T83.5Confident79.5Confident17 Ų1761.7 Ų61.710%0.10432%0.321CS..Hα-helixtrans-64.5-44.7176.7-64.70000111.5R48 Q49 R50 A55 L56 L119 N123R48-T52 WeakPolarHBondContact O-CB 3.21Å; R48-T52 PolarHBondContact O-N 3.49Å; R48-T52 PolarHBondContact O-OG1 2.95Å; Q49-T52 PolarHBondContact O-N 2.86Å; R50-T52 VanDerWaalsContact C-N 3.32Å; R50-T52 PolarHBondContact O-N 3.32Å; T52-A55 PolarHBondContact O-N 2.82Å; T52-L56 HydrophobicContact CG2-CD1 3.97Å; T52-L56 HydrophobicContact CG2-CG 4.42Å; T52-L56 WeakPolarHBondContact O-CB 3.33Å; T52-L56 WeakPolarHBondContact O-CG 3.18Å; T52-L56 PolarHBondContact O-N 2.66Å; T52-L119 HydrophobicContact CG2-CD2 3.86Å; T52-N123 WeakPolarHBondContact CG2-ND2 3.26Å; T52-N123 PolarHBondContact OG1-ND2 3.33Å; T52-N123 PolarHBondContact OG1-OD1 3.11Å
53A82.8Confident79.7Confident55 Ų5564.7 Ų64.746%0.45534%0.336SS..Hα-helixtrans-62.9-45.3177.200000111.6Q49 R50 A57Q49-A53 VanDerWaalsContact O-CB 3.26Å; Q49-A53 WeakPolarHBondContact O-CB 3.3Å; Q49-A53 PolarHBondContact O-N 2.94Å; R50-A53 PolarHBondContact O-N 2.99Å; A53-A57 WeakPolarHBondContact O-CB 3.31Å; A53-A57 PolarHBondContact O-N 3.46Å
54Y79.4Confident79.9Confident119 Ų11965.9 Ų65.947%0.46734%0.338SS..Hα-helixtrans-65.2-40.3176.2-65-46.3000112.3R50 P51 A57 A58 C170R50-Y54 HydrophobicContact CB-CD2 4.44Å; R50-Y54 HydrophobicContact CB-CE2 4.05Å; R50-Y54 WeakPolarHBondContact O-CD2 3.42Å; R50-Y54 PolarHBondContact O-N 2.76Å; P51-Y54 PolarHBondContact O-N 2.93Å; Y54-A57 PolarHBondContact O-N 3.22Å; Y54-A58 WeakPolarHBondContact O-CB 3.23Å; Y54-A58 PolarHBondContact O-N 3.14Å; Y54-C170 HydrophobicContact CD2-CB 4.1Å
55A80.6Confident80.1Confident3 Ų362.2 Ų62.23%0.02533%0.327CS..Hα-helixtrans-69.4-40.4179.800000112.3P51 T52 L59 L115 I118 L119P51-A55 WeakPolarHBondContact O-CB 3.49Å; P51-A55 PolarHBondContact O-N 3.47Å; T52-A55 PolarHBondContact O-N 2.82Å; A55-L59 VanDerWaalsContact O-CB 3.24Å; A55-L59 WeakPolarHBondContact O-CB 3.24Å; A55-L59 PolarHBondContact O-N 3.09Å; A55-L115 HydrophobicContact CB-CD2 4.2Å; A55-I118 HydrophobicContact CB-CB 4.47Å; A55-I118 HydrophobicContact CB-CG2 4.04Å; A55-L119 HydrophobicContact CB-CD1 4.46Å; A55-L119 HydrophobicContact CB-CD2 3.75Å; A55-L119 HydrophobicContact CB-CG 3.82Å
56L84.3Confident80.7Confident94 Ų9460.9 Ų60.949%0.49232%0.32SS..Hα-helixtrans-64.8-46.1172.8-75.3173.4000111.6T52 A58 L59 F60 L119T52-L56 HydrophobicContact CG2-CD1 3.97Å; T52-L56 HydrophobicContact CG2-CG 4.42Å; T52-L56 WeakPolarHBondContact O-CB 3.33Å; T52-L56 WeakPolarHBondContact O-CG 3.18Å; T52-L56 PolarHBondContact O-N 2.66Å; L56-A58 PolarHBondContact O-N 2.93Å; L56-L59 PolarHBondContact O-N 2.82Å; L56-F60 VanDerWaalsContact O-CB 3.27Å; L56-F60 WeakPolarHBondContact O-CB 3.42Å; L56-F60 PolarHBondContact O-N 2.89Å; L56-L119 HydrophobicContact CD2-CD1 3.89Å; L56-L119 HydrophobicContact CD2-CD2 4.08Å; L56-L119 HydrophobicContact CG-CD1 4.4Å; L56-L119 HydrophobicContact CG-CD2 3.79Å
57A82.8Confident81Confident52 Ų5264.7 Ų64.743%0.4333%0.334SS..Hα-helixtrans-61.6-43.3177.500000111.6A53 Y54 F60 M61A53-A57 WeakPolarHBondContact O-CB 3.31Å; A53-A57 PolarHBondContact O-N 3.46Å; Y54-A57 PolarHBondContact O-N 3.22Å; A57-F60 PolarHBondContact O-N 3.46Å; A57-M61 WeakPolarHBondContact O-CB 3.48Å; A57-M61 VanDerWaalsContact O-CG 3.26Å; A57-M61 WeakPolarHBondContact O-CG 3.28Å; A57-M61 PolarHBondContact O-N 3.07Å
58A78.2Confident81.3Confident39 Ų3968.3 Ų68.332%0.32235%0.346SS..Hα-helixtrans-68.2-39.3177.600000112.4Y54 L56 F60 M61 L62 L115Y54-A58 WeakPolarHBondContact O-CB 3.23Å; Y54-A58 PolarHBondContact O-N 3.14Å; L56-A58 PolarHBondContact O-N 2.93Å; A58-F60 VanDerWaalsContact C-N 3.35Å; A58-M61 PolarHBondContact O-N 2.66Å; A58-L62 WeakPolarHBondContact O-CB 3.27Å; A58-L62 PolarHBondContact O-N 2.8Å; A58-L115 HydrophobicContact CB-CD1 3.77Å; A58-L115 HydrophobicContact CB-CD2 3.78Å; A58-L115 HydrophobicContact CB-CG 4.45Å
59L82.1Confident80.9Confident55 Ų5566.8 Ų66.829%0.28835%0.348SS..Hα-helixtrans-66.8-38.6175.7-170.871.7000111.2A55 L56 L62 L63 L115 I116 L119A55-L59 VanDerWaalsContact O-CB 3.24Å; A55-L59 WeakPolarHBondContact O-CB 3.24Å; A55-L59 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 2.82Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 PolarHBondContact O-N 2.93Å; L59-L115 HydrophobicContact CB-CD1 4.48Å; L59-I116 HydrophobicContact CD1-CG1 4.29Å; L59-I116 HydrophobicContact CD2-CG1 4.5Å; L59-L119 HydrophobicContact CD2-CD1 4.26Å
60F83.9Confident80.6Confident123 Ų12361.5 Ų61.554%0.53932%0.323SS..Hα-helixtrans-65.3-44.5173.9-177.4-107.2000111.6L56 A57 A58 L62 L63 L64L56-F60 VanDerWaalsContact O-CB 3.27Å; L56-F60 WeakPolarHBondContact O-CB 3.42Å; L56-F60 PolarHBondContact O-N 2.89Å; A57-F60 PolarHBondContact O-N 3.46Å; A58-F60 VanDerWaalsContact C-N 3.35Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L62 PolarHBondContact O-N 3.15Å; F60-L63 WeakPolarHBondContact O-CB 3.4Å; F60-L63 PolarHBondContact O-N 3.25Å; F60-L64 HydrophobicContact CD1-CD1 3.82Å; F60-L64 HydrophobicContact CD1-CG 4.3Å; F60-L64 HydrophobicContact CE1-CD1 3.35Å; F60-L64 HydrophobicContact CE1-CD2 4.47Å; F60-L64 HydrophobicContact CE1-CG 3.98Å; F60-L64 HydrophobicContact CE2-CD2 4.49Å; F60-L64 HydrophobicContact CE2-CG 4.46Å; F60-L64 HydrophobicContact CZ-CD1 3.82Å; F60-L64 HydrophobicContact CZ-CD2 4.1Å; F60-L64 HydrophobicContact CZ-CG 4.06Å; F60-L64 WeakPolarHBondContact O-CG 3.42Å; F60-L64 PolarHBondContact O-N 3.13Å
61M81Confident80.2Confident96 Ų9659.4 Ų59.447%0.47332%0.321SS..Hα-helixtrans-63.3-39174.2-72.7-67.2-77.600112.2A57 A58 L63 L64 S65A57-M61 WeakPolarHBondContact O-CB 3.48Å; A57-M61 VanDerWaalsContact O-CG 3.26Å; A57-M61 WeakPolarHBondContact O-CG 3.28Å; A57-M61 PolarHBondContact O-N 3.07Å; A58-M61 PolarHBondContact O-N 2.66Å; M61-L63 VanDerWaalsContact C-N 3.33Å; M61-L64 PolarHBondContact O-N 3.34Å; M61-L64 HydrophobicContact SD-CD1 4.37Å; M61-S65 WeakPolarHBondContact O-CB 3.25Å; M61-S65 PolarHBondContact O-N 3.15Å; M61-S65 PolarHBondContact O-OG 3.24Å
62L78.1Confident79.7Confident12 Ų1263.2 Ų63.26%0.06334%0.341CS..Hα-helixtrans-64.3-38.2173.9-173.867000111.3A58 L59 F60 S65 N66 A112 F151A58-L62 WeakPolarHBondContact O-CB 3.27Å; A58-L62 PolarHBondContact O-N 2.8Å; L59-L62 PolarHBondContact O-N 2.92Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L62 PolarHBondContact O-N 3.15Å; L62-S65 PolarHBondContact O-OG 2.97Å; L62-N66 PolarHBondContact O-N 3.32Å; L62-N66 PolarHBondContact O-ND2 3.1Å; L62-A112 HydrophobicContact CD2-CB 3.82Å; L62-F151 HydrophobicContact CD1-CE1 4.43Å
63L83.8Confident78.8Confident96 Ų9664.2 Ų64.250%0.50335%0.345SS..Hα-helixtrans-64.9-48.4173.9-178.368.8000110.8L59 F60 M61 S65 N66 L67L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 PolarHBondContact O-N 2.93Å; F60-L63 WeakPolarHBondContact O-CB 3.4Å; F60-L63 PolarHBondContact O-N 3.25Å; M61-L63 VanDerWaalsContact C-N 3.33Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.05Å; L63-N66 PolarHBondContact O-N 3.03Å; L63-N66 VanDerWaalsContact O-N 3.11Å; L63-L67 HydrophobicContact CD1-CD1 4.32Å; L63-L67 HydrophobicContact CD2-CD1 4.48Å; L63-L67 HydrophobicContact CG-CD1 3.92Å; L63-L67 WeakPolarHBondContact O-CG 3.28Å; L63-L67 PolarHBondContact O-N 3.49Å; L63-L67 VanDerWaalsContact O-N 3.15Å
64L81.9Confident78Confident52 Ų5266.7 Ų66.727%0.27235%0.351SS..Hα-helixtrans-59.8-41.2177.6-70.2179.8000112F60 M61 N66 L67 F68F60-L64 HydrophobicContact CD1-CD1 3.82Å; F60-L64 HydrophobicContact CD1-CG 4.3Å; F60-L64 HydrophobicContact CE1-CD1 3.35Å; F60-L64 HydrophobicContact CE1-CD2 4.47Å; F60-L64 HydrophobicContact CE1-CG 3.98Å; F60-L64 HydrophobicContact CE2-CD2 4.49Å; F60-L64 HydrophobicContact CE2-CG 4.46Å; F60-L64 HydrophobicContact CZ-CD1 3.82Å; F60-L64 HydrophobicContact CZ-CD2 4.1Å; F60-L64 HydrophobicContact CZ-CG 4.06Å; F60-L64 WeakPolarHBondContact O-CG 3.42Å; F60-L64 PolarHBondContact O-N 3.13Å; M61-L64 PolarHBondContact O-N 3.34Å; M61-L64 HydrophobicContact SD-CD1 4.37Å; L64-N66 PolarHBondContact O-N 3.17Å; L64-L67 PolarHBondContact O-N 3.27Å; L64-F68 HydrophobicContact CB-CD2 4.39Å; L64-F68 HydrophobicContact CD2-CD2 4.14Å; L64-F68 HydrophobicContact CD2-CE2 3.66Å; L64-F68 WeakPolarHBondContact O-CD2 3.47Å; L64-F68 PolarHBondContact O-N 3.45Å
65S78.1Confident77.1Confident19 Ų1964.3 Ų64.313%0.13335%0.348CS..Hα-helixtrans-66.1-18.3178.468.10000114.2M61 L62 L63 L84 F151M61-S65 WeakPolarHBondContact O-CB 3.25Å; M61-S65 PolarHBondContact O-N 3.15Å; M61-S65 PolarHBondContact O-OG 3.24Å; L62-S65 PolarHBondContact O-OG 2.97Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.05Å; S65-L84 WeakPolarHBondContact O-CB 3.45Å; S65-F151 WeakPolarHBondContact OG-CZ 3.42Å
66N82.7Confident76.2Confident29 Ų2969.2 Ų69.216%0.15539%0.388CS..Hα-helixtrans-90.6-23172.8-77-83000112.6L62 L63 L64 Q108L62-N66 PolarHBondContact O-N 3.32Å; L62-N66 PolarHBondContact O-ND2 3.1Å; L63-N66 PolarHBondContact O-N 3.03Å; L63-N66 VanDerWaalsContact O-N 3.11Å; L64-N66 PolarHBondContact O-N 3.17Å; N66-Q108 VanDerWaalsContact ND2-CD 3.32Å; N66-Q108 PolarHBondContact ND2-NE2 2.86Å; N66-Q108 PolarHBondContact ND2-OE1 2.83Å
67L82.1Confident75.2Confident117 Ų11767.3 Ų67.361%0.61339%0.391SS*.Hα-helixtrans-89.8-29.6-178.6-70.5171.2000113.3L63 L64L63-L67 HydrophobicContact CD1-CD1 4.32Å; L63-L67 HydrophobicContact CD2-CD1 4.48Å; L63-L67 HydrophobicContact CG-CD1 3.92Å; L63-L67 WeakPolarHBondContact O-CG 3.28Å; L63-L67 PolarHBondContact O-N 3.49Å; L63-L67 VanDerWaalsContact O-N 3.15Å; L64-L67 PolarHBondContact O-N 3.27Å
68F80.8Confident74.4Confident119 Ų11968.2 Ų68.252%0.52239%0.391SS..SBendtrans-103.9153.4-179.1-70.9-89.8000111.3L64 F70L64-F68 HydrophobicContact CB-CD2 4.39Å; L64-F68 HydrophobicContact CD2-CD2 4.14Å; L64-F68 HydrophobicContact CD2-CE2 3.66Å; L64-F68 WeakPolarHBondContact O-CD2 3.47Å; L64-F68 PolarHBondContact O-N 3.45Å; F68-F70 PolarHBondContact O-N 3.41Å
69P73.5Confident73.9Confident62 Ų6270.6 Ų70.640%0.40340%0.402SS..  trans-52.1123.4170.6-25.434.4000110.6E81P69-E81 HydrophobicContact CB-CB 4.26Å
70F75.2Confident73.4Confident37 Ų3769.2 Ų69.216%0.16240%0.397CS..SBendtrans-75.9-43.4-178.3-177.2-109.7000110.7F68 I82 L84 I87 F151 V155 F340 V344F68-F70 PolarHBondContact O-N 3.41Å; F70-I82 WeakPolarHBondContact CA-O 3.41Å; F70-I82 WeakPolarHBondContact CB-O 3.26Å; F70-I82 PolarHBondContact N-O 3.44Å; F70-L84 HydrophobicContact CB-CB 4.44Å; F70-L84 HydrophobicContact CD1-CD1 4.32Å; F70-L84 HydrophobicContact CD2-CD1 4.12Å; F70-L84 HydrophobicContact CE1-CD1 4.41Å; F70-L84 HydrophobicContact CE2-CD1 4.14Å; F70-L84 HydrophobicContact CG-CB 4.49Å; F70-L84 HydrophobicContact CG-CD1 4.23Å; F70-L84 HydrophobicContact CZ-CD1 4.34Å; F70-I87 HydrophobicContact CD1-CD1 4.26Å; F70-F151 AromaticContact CE2-CE2 3.73Å; F70-F151 HydrophobicContact CE2-CE2 3.73Å; F70-F151 HydrophobicContact CE2-CZ 4.24Å; F70-F151 HydrophobicContact CZ-CE2 4.3Å; F70-V155 HydrophobicContact CD2-CG2 4.43Å; F70-V155 HydrophobicContact CE2-CG2 3.4Å; F70-V155 VanDerWaalsContact CE2-CG2 3.4Å; F70-V155 HydrophobicContact CZ-CG2 3.9Å; F70-F340 AromaticContact CE1-CZ 3.98Å; F70-F340 HydrophobicContact CE1-CZ 3.98Å; F70-F340 AromaticContact CZ-CZ 3.82Å; F70-F340 HydrophobicContact CZ-CZ 3.82Å; F70-V344 HydrophobicContact CE1-CG2 4.13Å
71V70.4Confident73Confident49 Ų4968.7 Ų68.730%0.29740%0.396SS..EExtended strand (participates in β ladder)trans-138.8138.5173.5-169.80000109.4I82 V344 L348V71-I82 HydrophobicContact CB-CG2 4.34Å; V71-I82 PolarHBondContact N-O 3.38Å; V71-I82 PolarHBondContact O-N 3.31Å; V71-V344 HydrophobicContact CG2-CG1 4.04Å; V71-L348 HydrophobicContact CB-CD1 3.54Å; V71-L348 HydrophobicContact CG1-CD1 3.31Å
72N67.6Low72.9Confident82 Ų8264.4 Ų64.444%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-116.4133.5170.4177.2-28000108.2S80 E81N72-S80 CarbonylContact C-O 3.41Å; N72-S80 WeakPolarHBondContact CA-O 3.48Å; N72-E81 HydrophobicContact CB-CG 4Å; N72-E81 PolarHBondContact ND2-OE1 2.86Å
73M66.2Low73.2Confident39 Ų3965.4 Ų65.419%0.19238%0.382CS..EExtended strand (participates in β ladder)trans-123.8128.3172.5-174.3178.178.800110.2V75 T79 S80 L348 V349 M351M73-V75 HydrophobicContact CE-CB 4.5Å; M73-V75 HydrophobicContact CE-CG2 3.9Å; M73-V75 HydrophobicContact CG-CG2 3.76Å; M73-V75 HydrophobicContact SD-CG2 3.84Å; M73-T79 CarbonylContact O-C 3.56Å; M73-T79 WeakPolarHBondContact O-CA 3.28Å; M73-S80 PolarHBondContact N-O 3.2Å; M73-S80 PolarHBondContact O-N 3.25Å; M73-L348 HydrophobicContact CB-CD1 4.1Å; M73-L348 HydrophobicContact CB-CD2 3.8Å; M73-L348 HydrophobicContact CB-CG 4.01Å; M73-L348 HydrophobicContact CE-CD2 4.23Å; M73-L348 HydrophobicContact CG-CD2 4.18Å; M73-L348 HydrophobicContact SD-CD2 3.47Å; M73-L348 WeakPolarHBondContact SD-CD2 3.37Å; M73-L348 HydrophobicContact SD-CG 4.41Å; M73-V349 HydrophobicContact CE-CG2 4.15Å; M73-V349 HydrophobicContact SD-CG2 4.33Å; M73-M351 HydrophobicContact CE-CE 3.88Å
74N66.1Low73.1Confident107 Ų10761 Ų6157%0.57236%0.359SS*.EExtended strand (participates in β ladder)trans-113.1108171.6-174.7-4.8000108.9G77 T79N74-G77 PolarHBondContact OD1-N 2.77Å; N74-T79 HydrophobicContact CB-CG2 4.15Å
75V60.1Low73.3Confident69 Ų6963.5 Ų63.542%0.41837%0.372SS..EExtended strand (participates in β ladder)trans-125125.9175.1175.90000108.1M73 G77 V78 M351M73-V75 HydrophobicContact CE-CB 4.5Å; M73-V75 HydrophobicContact CE-CG2 3.9Å; M73-V75 HydrophobicContact CG-CG2 3.76Å; M73-V75 HydrophobicContact SD-CG2 3.84Å; V75-G77 PolarHBondContact O-N 3.06Å; V75-G77 VanDerWaalsContact O-N 3.1Å; V75-V78 PolarHBondContact N-O 3.2Å; V75-V78 VanDerWaalsContact N-O 3.14Å; V75-V78 PolarHBondContact O-N 3.15Å; V75-M351 HydrophobicContact CB-CE 3.97Å
76A61.4Low73.6Confident105 Ų10567.2 Ų67.287%0.86839%0.387SS*.THydrogen-bonded Turntrans53.130.5178.600000114.9V78A76-V78 VanDerWaalsContact C-N 3.27Å; A76-V78 PolarHBondContact O-N 3.17Å
77G64.3Low73.7Confident54 Ų5465.8 Ų65.856%0.55738%0.38SS*.THydrogen-bonded Turntrans82.7-1.3-179.600000114.6N74 V75N74-G77 PolarHBondContact OD1-N 2.77Å; V75-G77 PolarHBondContact O-N 3.06Å; V75-G77 VanDerWaalsContact O-N 3.1Å
78V65.2Low73.9Confident71 Ų7160.4 Ų60.443%0.4335%0.352SS..EExtended strand (participates in β ladder)trans-92.1111.7169.4-175.80000107.9V75 A76 M351V75-V78 PolarHBondContact N-O 3.2Å; V75-V78 VanDerWaalsContact N-O 3.14Å; V75-V78 PolarHBondContact O-N 3.15Å; A76-V78 VanDerWaalsContact C-N 3.27Å; A76-V78 PolarHBondContact O-N 3.17Å; V78-M351 HydrophobicContact CB-CE 3.7Å; V78-M351 HydrophobicContact CB-SD 4.42Å; V78-M351 HydrophobicContact CG1-CE 3.76Å; V78-M351 HydrophobicContact CG1-SD 4.48Å; V78-M351 WeakPolarHBondContact O-CE 3.47Å
79T68.4Low74.1Confident89 Ų8956.6 Ų56.655%0.54635%0.346SS..EExtended strand (participates in β ladder)trans-88.1121.4173.252.50000109.4M73 N74M73-T79 CarbonylContact O-C 3.56Å; M73-T79 WeakPolarHBondContact O-CA 3.28Å; N74-T79 HydrophobicContact CB-CG2 4.15Å
80S69.8Low74.5Confident27 Ų2754.4 Ų54.419%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-111.8122.4169.7-176.50000108.7N72 M73 L348N72-S80 CarbonylContact C-O 3.41Å; N72-S80 WeakPolarHBondContact CA-O 3.48Å; M73-S80 PolarHBondContact N-O 3.2Å; M73-S80 PolarHBondContact O-N 3.25Å; S80-L348 PolarHBondContact OG-O 3.43Å
81E76.9Confident74.7Confident111 Ų11152.7 Ų52.752%0.51932%0.324SS..EExtended strand (participates in β ladder)trans-113.2140.5173.9-64.9-168.2159.700108.6P69 N72P69-E81 HydrophobicContact CB-CB 4.26Å; N72-E81 HydrophobicContact CB-CG 4Å; N72-E81 PolarHBondContact ND2-OE1 2.86Å
82I77.8Confident75.4Confident7 Ų754.5 Ų54.54%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-135.6135.6175.5-165.9156.7000112F70 V71 E86 I87 V90 A347 L348F70-I82 WeakPolarHBondContact CA-O 3.41Å; F70-I82 WeakPolarHBondContact CB-O 3.26Å; F70-I82 PolarHBondContact N-O 3.44Å; V71-I82 HydrophobicContact CB-CG2 4.34Å; V71-I82 PolarHBondContact N-O 3.38Å; V71-I82 PolarHBondContact O-N 3.31Å; I82-E86 HydrophobicContact CD1-CB 4.13Å; I82-E86 HydrophobicContact CG1-CB 3.74Å; I82-I87 HydrophobicContact CD1-CG1 4.1Å; I82-I87 HydrophobicContact CG1-CG1 4.28Å; I82-V90 HydrophobicContact CD1-CG2 4.46Å; I82-A347 HydrophobicContact CD1-CB 3.21Å; I82-A347 WeakPolarHBondContact CD1-O 3.31Å; I82-L348 HydrophobicContact CG2-CB 4.49Å; I82-L348 HydrophobicContact CG2-CD1 4.07Å
83T84.6Confident75.9Confident33 Ų3354 Ų5420%0.20233%0.331CS..  trans-87.7158.2172.964.40000111.2L85 E86T83-L85 PolarHBondContact O-N 2.83Å; T83-L85 VanDerWaalsContact O-N 3.16Å; T83-E86 PolarHBondContact N-OE2 3.47Å; T83-E86 PolarHBondContact O-N 3.26Å; T83-E86 WeakPolarHBondContact OG1-CG 3.19Å; T83-E86 PolarHBondContact OG1-N 2.95Å; T83-E86 PolarHBondContact OG1-OE2 3.33Å
84L83Confident76.1Confident4 Ų454.6 Ų54.62%0.02133%0.333CS..THydrogen-bonded Turntrans-59.5-29.8-179.6-170.768.3000113S65 F70 I87 P88 F103 F151S65-L84 WeakPolarHBondContact O-CB 3.45Å; F70-L84 HydrophobicContact CB-CB 4.44Å; F70-L84 HydrophobicContact CD1-CD1 4.32Å; F70-L84 HydrophobicContact CD2-CD1 4.12Å; F70-L84 HydrophobicContact CE1-CD1 4.41Å; F70-L84 HydrophobicContact CE2-CD1 4.14Å; F70-L84 HydrophobicContact CG-CB 4.49Å; F70-L84 HydrophobicContact CG-CD1 4.23Å; F70-L84 HydrophobicContact CZ-CD1 4.34Å; L84-I87 HydrophobicContact CD1-CD1 4.22Å; L84-P88 WeakPolarHBondContact O-CD 3.34Å; L84-F103 HydrophobicContact CD1-CE1 3.98Å; L84-F103 HydrophobicContact CD1-CZ 3.81Å; L84-F103 HydrophobicContact CG-CE1 4.39Å; L84-F151 HydrophobicContact CD1-CD2 4.4Å; L84-F151 HydrophobicContact CD1-CE2 3.76Å; L84-F151 HydrophobicContact CD2-CD2 4.5Å; L84-F151 HydrophobicContact CD2-CE2 3.54Å; L84-F151 HydrophobicContact CD2-CZ 3.97Å; L84-F151 HydrophobicContact CG-CE2 4.32Å
85L85Confident76.3Confident104 Ų10457 Ų5755%0.54535%0.346SS..THydrogen-bonded Turntrans-86-20.6-176.2-144.2141000112.7T83 P88T83-L85 PolarHBondContact O-N 2.83Å; T83-L85 VanDerWaalsContact O-N 3.16Å; L85-P88 WeakPolarHBondContact O-CD 3.35Å; L85-P88 WeakPolarHBondContact O-CG 3.46Å
86E84.8Confident76.9Confident96 Ų9656.2 Ų56.245%0.44934%0.336SS..Hα-helixtrans-73.9-31173-79.5164.8159.500112.7I82 T83 G89 V90I82-E86 HydrophobicContact CD1-CB 4.13Å; I82-E86 HydrophobicContact CG1-CB 3.74Å; T83-E86 PolarHBondContact N-OE2 3.47Å; T83-E86 PolarHBondContact O-N 3.26Å; T83-E86 WeakPolarHBondContact OG1-CG 3.19Å; T83-E86 PolarHBondContact OG1-N 2.95Å; T83-E86 PolarHBondContact OG1-OE2 3.33Å; E86-G89 CarbonylContact O-C 3.56Å; E86-G89 WeakPolarHBondContact O-CA 3.47Å; E86-G89 PolarHBondContact O-N 3.47Å; E86-V90 PolarHBondContact O-N 3.3Å
87I84.9Confident77.8Confident0 Ų053.3 Ų53.30%031%0.312CS..Hα-helixtrans-50.4-56178-64.4166.7000112.6F70 I82 L84 G89 V90 L91 F103 A343 V344 A347F70-I87 HydrophobicContact CD1-CD1 4.26Å; I82-I87 HydrophobicContact CD1-CG1 4.1Å; I82-I87 HydrophobicContact CG1-CG1 4.28Å; L84-I87 HydrophobicContact CD1-CD1 4.22Å; I87-G89 VanDerWaalsContact C-N 3.27Å; I87-G89 PolarHBondContact O-N 3.18Å; I87-V90 PolarHBondContact O-N 3.32Å; I87-L91 HydrophobicContact CG2-CD1 4.39Å; I87-L91 PolarHBondContact O-N 3.32Å; I87-L91 VanDerWaalsContact O-N 3.17Å; I87-F103 HydrophobicContact CB-CE1 4.3Å; I87-F103 HydrophobicContact CB-CZ 4.34Å; I87-F103 HydrophobicContact CD1-CE1 4.39Å; I87-F103 HydrophobicContact CD1-CZ 3.83Å; I87-F103 HydrophobicContact CG2-CD1 4.47Å; I87-F103 HydrophobicContact CG2-CD2 4.38Å; I87-F103 HydrophobicContact CG2-CE1 4.21Å; I87-F103 HydrophobicContact CG2-CE2 4.08Å; I87-F103 HydrophobicContact CG2-CZ 4Å; I87-A343 HydrophobicContact CG2-CB 3.77Å; I87-V344 HydrophobicContact CD1-CG2 3.8Å; I87-A347 HydrophobicContact CB-CB 4.35Å; I87-A347 HydrophobicContact CG1-CB 4.12Å; I87-A347 HydrophobicContact CG2-CB 4.37Å
88P86.6Confident78.5Confident3 Ų354 Ų542%0.01931%0.308CS..Hα-helixtrans-65.5-30.817625.5-34000112.4L84 L85 V90 L91 F92 F103 L104L84-P88 WeakPolarHBondContact O-CD 3.34Å; L85-P88 WeakPolarHBondContact O-CD 3.35Å; L85-P88 WeakPolarHBondContact O-CG 3.46Å; P88-V90 VanDerWaalsContact C-N 3.34Å; P88-V90 PolarHBondContact O-N 3.25Å; P88-L91 PolarHBondContact O-N 3.02Å; P88-F92 HydrophobicContact CB-CD2 4.38Å; P88-F92 HydrophobicContact CB-CE2 3.93Å; P88-F92 WeakPolarHBondContact O-CD2 3.31Å; P88-F92 VanDerWaalsContact O-CG 3.26Å; P88-F92 WeakPolarHBondContact O-CG 3.17Å; P88-F92 PolarHBondContact O-N 2.83Å; P88-F103 HydrophobicContact CG-CD1 4.48Å; P88-L104 HydrophobicContact CB-CD1 3.89Å; P88-L104 HydrophobicContact CB-CD2 4.24Å; P88-L104 HydrophobicContact CB-CG 3.69Å; P88-L104 HydrophobicContact CG-CD1 4.12Å; P88-L104 HydrophobicContact CG-CD2 3.65Å; P88-L104 HydrophobicContact CG-CG 3.69Å
89G85Confident79.1Confident39 Ų3952 Ų5240%0.40230%0.295SS..Hα-helixtrans-58.4-43.7173.600000112.7E86 I87 F92 S93E86-G89 CarbonylContact O-C 3.56Å; E86-G89 WeakPolarHBondContact O-CA 3.47Å; E86-G89 PolarHBondContact O-N 3.47Å; I87-G89 VanDerWaalsContact C-N 3.27Å; I87-G89 PolarHBondContact O-N 3.18Å; G89-F92 PolarHBondContact O-N 3.5Å; G89-S93 PolarHBondContact O-N 3.12Å
90V80.8Confident79.8Confident16 Ų1647.7 Ų47.710%0.09727%0.269CS..Hα-helixtrans-62.8-47.9173.6175.20000110.9I82 E86 I87 P88 F92 S93 E94 A347I82-V90 HydrophobicContact CD1-CG2 4.46Å; E86-V90 PolarHBondContact O-N 3.3Å; I87-V90 PolarHBondContact O-N 3.32Å; P88-V90 VanDerWaalsContact C-N 3.34Å; P88-V90 PolarHBondContact O-N 3.25Å; V90-F92 VanDerWaalsContact C-N 3.27Å; V90-F92 PolarHBondContact O-N 2.88Å; V90-S93 WeakPolarHBondContact CA-OG 3.43Å; V90-S93 PolarHBondContact O-N 3.1Å; V90-S93 PolarHBondContact O-OG 3.31Å; V90-E94 HydrophobicContact CG1-CG 4.3Å; V90-E94 WeakPolarHBondContact O-CG 3.49Å; V90-E94 PolarHBondContact O-N 3.35Å; V90-E94 VanDerWaalsContact O-N 3.11Å; V90-A347 HydrophobicContact CB-CB 3.95Å; V90-A347 HydrophobicContact CG1-CB 4.19Å; V90-A347 HydrophobicContact CG2-CB 3.93Å
91L80.9Confident80.6Confident1 Ų149.9 Ų49.91%0.00528%0.281CS..Hα-helixtrans-61.7-35179.5-68170000112.7I87 P88 Y96 L99 A343 P359I87-L91 HydrophobicContact CG2-CD1 4.39Å; I87-L91 PolarHBondContact O-N 3.32Å; I87-L91 VanDerWaalsContact O-N 3.17Å; P88-L91 PolarHBondContact O-N 3.02Å; L91-Y96 CarbonylContact O-C 3.49Å; L91-Y96 VanDerWaalsContact O-C 3.28Å; L91-Y96 VanDerWaalsContact O-CA 3.31Å; L91-Y96 WeakPolarHBondContact O-CA 3.03Å; L91-Y96 PolarHBondContact O-N 2.81Å; L91-L99 HydrophobicContact CD1-CB 4.28Å; L91-L99 HydrophobicContact CD1-CD2 3.83Å; L91-L99 HydrophobicContact CD1-CG 4.3Å; L91-L99 HydrophobicContact CD2-CD2 3.68Å; L91-L99 HydrophobicContact CG-CD2 4.41Å; L91-A343 HydrophobicContact CD1-CB 3.85Å; L91-P359 HydrophobicContact CD2-CG 3.88Å
92F84.6Confident80.9Confident87 Ų8749.7 Ų49.738%0.38228%0.279SS..Hα-helixtrans-69.6-35.4173.9-68.4-51.3000112.7P88 G89 V90 E94 A97 L104P88-F92 HydrophobicContact CB-CD2 4.38Å; P88-F92 HydrophobicContact CB-CE2 3.93Å; P88-F92 WeakPolarHBondContact O-CD2 3.31Å; P88-F92 VanDerWaalsContact O-CG 3.26Å; P88-F92 WeakPolarHBondContact O-CG 3.17Å; P88-F92 PolarHBondContact O-N 2.83Å; G89-F92 PolarHBondContact O-N 3.5Å; V90-F92 VanDerWaalsContact C-N 3.27Å; V90-F92 PolarHBondContact O-N 2.88Å; F92-E94 VanDerWaalsContact C-N 3.29Å; F92-E94 PolarHBondContact O-N 2.71Å; F92-A97 HydrophobicContact CD1-CB 3.72Å; F92-A97 HydrophobicContact CE1-CB 4.06Å; F92-A97 VanDerWaalsContact CE1-O 3.27Å; F92-A97 WeakPolarHBondContact CE1-O 3.29Å; F92-L104 HydrophobicContact CE2-CD1 3.76Å; F92-L104 HydrophobicContact CZ-CD1 4.01Å
93S78.2Confident81.2Confident71 Ų7149.8 Ų49.850%0.49728%0.279SS..Hα-helixtrans-72.1-22.917866.20000113.9G89 V90G89-S93 PolarHBondContact O-N 3.12Å; V90-S93 WeakPolarHBondContact CA-OG 3.43Å; V90-S93 PolarHBondContact O-N 3.1Å; V90-S93 PolarHBondContact O-OG 3.31Å
94E69.6Low81.4Confident52 Ų5250.7 Ų50.724%0.24328%0.282CS..THydrogen-bonded Turntrans-105.225.1-175.3-60.8-68.3171.300112.5V90 F92 Y96 R350 Y358V90-E94 HydrophobicContact CG1-CG 4.3Å; V90-E94 WeakPolarHBondContact O-CG 3.49Å; V90-E94 PolarHBondContact O-N 3.35Å; V90-E94 VanDerWaalsContact O-N 3.11Å; F92-E94 VanDerWaalsContact C-N 3.29Å; F92-E94 PolarHBondContact O-N 2.71Å; E94-Y96 HydrophobicContact CB-CD2 3.96Å; E94-Y96 HydrophobicContact CB-CE2 4.36Å; E94-Y96 WeakPolarHBondContact O-CD2 3.3Å; E94-Y96 WeakPolarHBondContact O-CE2 3.38Å; E94-Y96 PolarHBondContact O-N 3.04Å; E94-Y96 VanDerWaalsContact O-N 3.1Å; E94-R350 IonicContact OE1-CZ 3.75Å; E94-R350 IonicContact OE1-NE 3.27Å; E94-R350 IonicContact OE1-NH2 3.43Å; E94-R350 PolarHBondContact OE1-NH2 3.08Å; E94-Y358 HydrophobicContact CG-CD1 4.35Å; E94-Y358 HydrophobicContact CG-CE1 4.44Å; E94-Y358 WeakPolarHBondContact OE2-CE1 3.46Å
95D69.7Low81.5Confident157 Ų15753.7 Ų53.784%0.8430%0.298SS*.THydrogen-bonded Turntrans63.38.5-179.3-67-40.6000116.6A97D95-A97 VanDerWaalsContact C-N 3.28Å; D95-A97 PolarHBondContact O-N 3.11Å
96Y74Confident81.5Confident53 Ų5349.8 Ų49.821%0.20828%0.276CS..  trans-91.942.4175.8-63.3-72.1000113.1L91 E94 S98 L99 G100 P359 M361L91-Y96 CarbonylContact O-C 3.49Å; L91-Y96 VanDerWaalsContact O-C 3.28Å; L91-Y96 VanDerWaalsContact O-CA 3.31Å; L91-Y96 WeakPolarHBondContact O-CA 3.03Å; L91-Y96 PolarHBondContact O-N 2.81Å; E94-Y96 HydrophobicContact CB-CD2 3.96Å; E94-Y96 HydrophobicContact CB-CE2 4.36Å; E94-Y96 WeakPolarHBondContact O-CD2 3.3Å; E94-Y96 WeakPolarHBondContact O-CE2 3.38Å; E94-Y96 PolarHBondContact O-N 3.04Å; E94-Y96 VanDerWaalsContact O-N 3.1Å; Y96-S98 VanDerWaalsContact C-N 3.28Å; Y96-S98 PolarHBondContact O-N 3.33Å; Y96-L99 WeakPolarHBondContact O-CB 3.35Å; Y96-L99 PolarHBondContact O-N 3.03Å; Y96-G100 PolarHBondContact O-N 3.22Å; Y96-G100 VanDerWaalsContact O-N 3.14Å; Y96-P359 HydrophobicContact CD1-CB 3.81Å; Y96-P359 HydrophobicContact CD1-CG 4.17Å; Y96-P359 HydrophobicContact CD2-CB 3.88Å; Y96-P359 HydrophobicContact CD2-CG 3.44Å; Y96-P359 VanDerWaalsContact CD2-CG 3.44Å; Y96-P359 HydrophobicContact CE1-CB 3.76Å; Y96-P359 HydrophobicContact CE1-CG 4.42Å; Y96-P359 HydrophobicContact CE2-CB 3.82Å; Y96-P359 HydrophobicContact CE2-CG 3.73Å; Y96-P359 HydrophobicContact CG-CB 3.89Å; Y96-P359 HydrophobicContact CG-CG 3.71Å; Y96-P359 PolarHBondContact OH-O 3.48Å; Y96-M361 HydrophobicContact CD1-CG 4.45Å; Y96-M361 HydrophobicContact CE1-CG 3.94Å
97A79.7Confident81.2Confident45 Ų4545.8 Ų45.837%0.37226%0.259SS..Hα-helixtrans-59.8-33-172.700000114.3F92 D95 T101F92-A97 HydrophobicContact CD1-CB 3.72Å; F92-A97 HydrophobicContact CE1-CB 4.06Å; F92-A97 VanDerWaalsContact CE1-O 3.27Å; F92-A97 WeakPolarHBondContact CE1-O 3.29Å; D95-A97 VanDerWaalsContact C-N 3.28Å; D95-A97 PolarHBondContact O-N 3.11Å; A97-T101 WeakPolarHBondContact O-CB 3.28Å; A97-T101 PolarHBondContact O-N 2.88Å; A97-T101 PolarHBondContact O-OG1 2.93Å
98S78.9Confident81.1Confident68 Ų6847.7 Ų47.748%0.47627%0.268SS..Hα-helixtrans-63.8-41.6175.955.90000112Y96 T101 F102Y96-S98 VanDerWaalsContact C-N 3.28Å; Y96-S98 PolarHBondContact O-N 3.33Å; S98-T101 PolarHBondContact O-N 3.14Å; S98-F102 WeakPolarHBondContact O-CD2 3.12Å; S98-F102 WeakPolarHBondContact O-CG 3.23Å; S98-F102 PolarHBondContact O-N 3.2Å
99L77.6Confident81.2Confident28 Ų2852.5 Ų52.515%0.14729%0.293CS..Hα-helixtrans-67-46.5178.9-155.786.9000110.5L91 Y96 T101 F102 F103 V339 A343L91-L99 HydrophobicContact CD1-CB 4.28Å; L91-L99 HydrophobicContact CD1-CD2 3.83Å; L91-L99 HydrophobicContact CD1-CG 4.3Å; L91-L99 HydrophobicContact CD2-CD2 3.68Å; L91-L99 HydrophobicContact CG-CD2 4.41Å; Y96-L99 WeakPolarHBondContact O-CB 3.35Å; Y96-L99 PolarHBondContact O-N 3.03Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 2.98Å; L99-F102 PolarHBondContact O-N 3.45Å; L99-F103 PolarHBondContact O-N 3.48Å; L99-V339 HydrophobicContact CD1-CG1 3.63Å; L99-V339 HydrophobicContact CD1-CG2 4.49Å; L99-V339 HydrophobicContact CG-CG1 4.03Å; L99-A343 HydrophobicContact CD2-CB 4.43Å
100G83.5Confident81.3Confident0 Ų051 Ų510%028%0.276CS..Hα-helixtrans-59.5-39.6176.900000112.6Y96 F103 L104Y96-G100 PolarHBondContact O-N 3.22Å; Y96-G100 VanDerWaalsContact O-N 3.14Å; G100-F103 PolarHBondContact O-N 3.11Å; G100-L104 PolarHBondContact O-N 3.43Å
101T86.1Confident81.4Confident73 Ų7350.9 Ų50.945%0.44828%0.275SS..Hα-helixtrans-65.8-44.3176.2-55.80000111.9A97 S98 L99 L104 L105A97-T101 WeakPolarHBondContact O-CB 3.28Å; A97-T101 PolarHBondContact O-N 2.88Å; A97-T101 PolarHBondContact O-OG1 2.93Å; S98-T101 PolarHBondContact O-N 3.14Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 2.98Å; T101-L104 PolarHBondContact O-N 2.85Å; T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.41Å; T101-L105 PolarHBondContact O-N 3.41Å
102F83.5Confident81.5Confident106 Ų10651.8 Ų51.847%0.46528%0.283SS..Hα-helixtrans-63.8-41.2176.2-71.9-44.6000112S98 L99 L105 F106S98-F102 WeakPolarHBondContact O-CD2 3.12Å; S98-F102 WeakPolarHBondContact O-CG 3.23Å; S98-F102 PolarHBondContact O-N 3.2Å; L99-F102 PolarHBondContact O-N 3.45Å; F102-L105 PolarHBondContact O-N 2.92Å; F102-F106 HydrophobicContact CB-CD2 4.15Å; F102-F106 HydrophobicContact CB-CE2 4.45Å; F102-F106 HydrophobicContact CD1-CD2 4.15Å; F102-F106 AromaticContact CD1-CE2 3.62Å; F102-F106 HydrophobicContact CD1-CE2 3.62Å; F102-F106 HydrophobicContact CE1-CE2 4.29Å; F102-F106 HydrophobicContact CG-CE2 4.38Å; F102-F106 WeakPolarHBondContact O-CB 3.43Å; F102-F106 VanDerWaalsContact O-CD2 3.26Å; F102-F106 WeakPolarHBondContact O-CD2 3.32Å; F102-F106 PolarHBondContact O-N 2.88Å
103F84.3Confident81.8Confident10 Ų1051.1 Ų51.14%0.04428%0.28CS..Hα-helixtrans-58.2-53.1175.2-169.8-83.8000111.1L84 I87 P88 L99 G100 L105 V107 F340 A343L84-F103 HydrophobicContact CD1-CE1 3.98Å; L84-F103 HydrophobicContact CD1-CZ 3.81Å; L84-F103 HydrophobicContact CG-CE1 4.39Å; I87-F103 HydrophobicContact CB-CE1 4.3Å; I87-F103 HydrophobicContact CB-CZ 4.34Å; I87-F103 HydrophobicContact CD1-CE1 4.39Å; I87-F103 HydrophobicContact CD1-CZ 3.83Å; I87-F103 HydrophobicContact CG2-CD1 4.47Å; I87-F103 HydrophobicContact CG2-CD2 4.38Å; I87-F103 HydrophobicContact CG2-CE1 4.21Å; I87-F103 HydrophobicContact CG2-CE2 4.08Å; I87-F103 HydrophobicContact CG2-CZ 4Å; P88-F103 HydrophobicContact CG-CD1 4.48Å; L99-F103 PolarHBondContact O-N 3.48Å; G100-F103 PolarHBondContact O-N 3.11Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 3.35Å; F103-V107 HydrophobicContact CD1-CB 4.42Å; F103-V107 HydrophobicContact CD1-CG2 4.48Å; F103-V107 HydrophobicContact CD2-CG2 4.11Å; F103-V107 HydrophobicContact CE1-CB 4.37Å; F103-V107 HydrophobicContact CE1-CG1 4.34Å; F103-V107 HydrophobicContact CE2-CG2 4.22Å; F103-V107 HydrophobicContact CG-CG2 4.25Å; F103-V107 HydrophobicContact CZ-CG1 4.31Å; F103-V107 HydrophobicContact CZ-CG2 4.44Å; F103-V107 WeakPolarHBondContact O-CB 3.46Å; F103-V107 WeakPolarHBondContact O-CG2 3.31Å; F103-V107 PolarHBondContact O-N 3.09Å; F103-F340 HydrophobicContact CD2-CD2 4.16Å; F103-F340 AromaticContact CE2-CD2 3.36Å; F103-F340 HydrophobicContact CE2-CD2 3.36Å; F103-F340 AromaticContact CE2-CE2 3.5Å; F103-F340 HydrophobicContact CE2-CE2 3.5Å; F103-F340 HydrophobicContact CE2-CG 4.38Å; F103-F340 HydrophobicContact CZ-CD2 4.05Å; F103-F340 AromaticContact CZ-CE2 3.7Å; F103-F340 HydrophobicContact CZ-CE2 3.7Å; F103-A343 HydrophobicContact CD2-CB 3.85Å; F103-A343 HydrophobicContact CE2-CB 4.07Å
104L87.8Confident82.1Confident52 Ų5248.2 Ų48.227%0.27226%0.259SS..Iπ-helixtrans-58.6-43.3177.3-79.1172.9000112.8P88 F92 G100 T101 Q108 L109P88-L104 HydrophobicContact CB-CD1 3.89Å; P88-L104 HydrophobicContact CB-CD2 4.24Å; P88-L104 HydrophobicContact CB-CG 3.69Å; P88-L104 HydrophobicContact CG-CD1 4.12Å; P88-L104 HydrophobicContact CG-CD2 3.65Å; P88-L104 HydrophobicContact CG-CG 3.69Å; F92-L104 HydrophobicContact CE2-CD1 3.76Å; F92-L104 HydrophobicContact CZ-CD1 4.01Å; G100-L104 PolarHBondContact O-N 3.43Å; T101-L104 PolarHBondContact O-N 2.85Å; L104-Q108 WeakPolarHBondContact O-CB 3.11Å; L104-Q108 PolarHBondContact O-N 3.2Å; L104-L109 PolarHBondContact O-N 3.26Å
105L86.7Confident82.8Confident66 Ų6647.1 Ų47.135%0.34626%0.255SS..Iπ-helixtrans-66.6-52-177.9-174.867.6000111.6T101 F102 F103 L109 V110T101-L105 VanDerWaalsContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.41Å; T101-L105 PolarHBondContact O-N 3.41Å; F102-L105 PolarHBondContact O-N 2.92Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 3.35Å; L105-L109 HydrophobicContact CD1-CD1 4.41Å; L105-V110 HydrophobicContact CD1-CG2 4.35Å; L105-V110 HydrophobicContact CG-CG2 4.3Å; L105-V110 WeakPolarHBondContact O-CB 3.29Å; L105-V110 WeakPolarHBondContact O-CG2 3.45Å; L105-V110 PolarHBondContact O-N 2.75Å
106F84.1Confident83.7Confident22 Ų2243.4 Ų43.410%0.09623%0.234CC..Iπ-helixtrans-89.2-27.8-168.1-70-69.9000114.5F102 P111 W145 M147F102-F106 HydrophobicContact CB-CD2 4.15Å; F102-F106 HydrophobicContact CB-CE2 4.45Å; F102-F106 HydrophobicContact CD1-CD2 4.15Å; F102-F106 AromaticContact CD1-CE2 3.62Å; F102-F106 HydrophobicContact CD1-CE2 3.62Å; F102-F106 HydrophobicContact CE1-CE2 4.29Å; F102-F106 HydrophobicContact CG-CE2 4.38Å; F102-F106 WeakPolarHBondContact O-CB 3.43Å; F102-F106 VanDerWaalsContact O-CD2 3.26Å; F102-F106 WeakPolarHBondContact O-CD2 3.32Å; F102-F106 PolarHBondContact O-N 2.88Å; F106-P111 WeakPolarHBondContact O-CD 3.42Å; F106-W145 HydrophobicContact CD1-CB 4.28Å; F106-W145 HydrophobicContact CD1-CE3 4.49Å; F106-W145 WeakPolarHBondContact CD1-O 3.12Å; F106-W145 HydrophobicContact CE1-CB 3.96Å; F106-W145 AromaticContact CE1-CD2 3.93Å; F106-W145 HydrophobicContact CE1-CD2 3.93Å; F106-W145 AromaticContact CE1-CE3 3.31Å; F106-W145 HydrophobicContact CE1-CE3 3.31Å; F106-W145 HydrophobicContact CE1-CG 4.25Å; F106-W145 HydrophobicContact CE1-CZ3 4.01Å; F106-W145 AromaticContact CZ-CE3 3.68Å; F106-W145 HydrophobicContact CZ-CE3 3.68Å; F106-W145 AromaticContact CZ-CZ3 3.88Å; F106-W145 HydrophobicContact CZ-CZ3 3.88Å; F106-M147 HydrophobicContact CB-CG 4.44Å; F106-M147 HydrophobicContact CG-CE 4.48Å
107V79.4Confident84.3Confident13 Ų1341 Ų418%0.07923%0.225CC..Iπ-helixtrans-91.6-37.5179.6-176.70000111.3F103 P111 F151 F340F103-V107 HydrophobicContact CD1-CB 4.42Å; F103-V107 HydrophobicContact CD1-CG2 4.48Å; F103-V107 HydrophobicContact CD2-CG2 4.11Å; F103-V107 HydrophobicContact CE1-CB 4.37Å; F103-V107 HydrophobicContact CE1-CG1 4.34Å; F103-V107 HydrophobicContact CE2-CG2 4.22Å; F103-V107 HydrophobicContact CG-CG2 4.25Å; F103-V107 HydrophobicContact CZ-CG1 4.31Å; F103-V107 HydrophobicContact CZ-CG2 4.44Å; F103-V107 WeakPolarHBondContact O-CB 3.46Å; F103-V107 WeakPolarHBondContact O-CG2 3.31Å; F103-V107 PolarHBondContact O-N 3.09Å; V107-P111 WeakPolarHBondContact O-CG 3.34Å; V107-F151 HydrophobicContact CG1-CB 4.3Å; V107-F151 HydrophobicContact CG1-CD2 3.6Å; V107-F151 HydrophobicContact CG1-CE2 4.32Å; V107-F151 HydrophobicContact CG1-CG 4.2Å; V107-F340 HydrophobicContact CG1-CE2 4.27Å; V107-F340 HydrophobicContact CG2-CD2 4.16Å; V107-F340 HydrophobicContact CG2-CE2 4.46Å
108Q82.9Confident84.5Confident40 Ų4039.5 Ų39.519%0.18721%0.21CC..Iπ-helixtrans-106.7-63.3-174.1-171.569.717.100112.8N66 L104 A112N66-Q108 VanDerWaalsContact ND2-CD 3.32Å; N66-Q108 PolarHBondContact ND2-NE2 2.86Å; N66-Q108 PolarHBondContact ND2-OE1 2.83Å; L104-Q108 WeakPolarHBondContact O-CB 3.11Å; L104-Q108 PolarHBondContact O-N 3.2Å; Q108-A112 VanDerWaalsContact O-CB 3.23Å; Q108-A112 WeakPolarHBondContact O-CB 3.31Å; Q108-A112 PolarHBondContact O-N 3.19Å
109L88.7Confident84.8Confident104 Ų10437.4 Ų37.455%0.54519%0.194SC..Iπ-helixtrans-68.6-46.4-168.1-67.4176.1000113.2L104 L105 A112 F113L104-L109 PolarHBondContact O-N 3.26Å; L105-L109 HydrophobicContact CD1-CD1 4.41Å; L109-A112 PolarHBondContact O-N 3.12Å; L109-F113 VanDerWaalsContact O-CB 3.22Å; L109-F113 WeakPolarHBondContact O-CB 3.47Å; L109-F113 PolarHBondContact O-N 3.41Å
110V86.8Confident85.3Confident7 Ų738.9 Ų38.94%0.04220%0.202CC..Hα-helixtrans-65.1-48.2-178.4168.40000111.7L105 F113 C114 L142L105-V110 HydrophobicContact CD1-CG2 4.35Å; L105-V110 HydrophobicContact CG-CG2 4.3Å; L105-V110 WeakPolarHBondContact O-CB 3.29Å; L105-V110 WeakPolarHBondContact O-CG2 3.45Å; L105-V110 PolarHBondContact O-N 2.75Å; V110-F113 PolarHBondContact O-N 3.17Å; V110-C114 WeakPolarHBondContact O-CB 3.46Å; V110-C114 PolarHBondContact O-N 2.6Å; V110-C114 PolarHBondContact O-SG 2.95Å; V110-L142 HydrophobicContact CG1-CB 4.12Å; V110-L142 HydrophobicContact CG1-CD2 4.32Å; V110-L142 HydrophobicContact CG2-CD2 4.16Å
111P81.8Confident85.4Confident14 Ų1439.3 Ų39.39%0.09120%0.204CC..Hα-helixtrans-60.7-45.7174-28.339.2000113.1F106 V107 F113 C114 L115F106-P111 WeakPolarHBondContact O-CD 3.42Å; V107-P111 WeakPolarHBondContact O-CG 3.34Å; P111-F113 PolarHBondContact O-N 2.94Å; P111-C114 PolarHBondContact O-N 3.46Å; P111-L115 VanDerWaalsContact O-CG 3.26Å; P111-L115 WeakPolarHBondContact O-CG 3.27Å; P111-L115 PolarHBondContact O-N 3.44Å
112A84.7Confident85.4Confident19 Ų1935.9 Ų35.916%0.15718%0.183CC..Hα-helixtrans-58.1-47.5176.900000111.6L62 Q108 L109 C114 L115 I116L62-A112 HydrophobicContact CD2-CB 3.82Å; Q108-A112 VanDerWaalsContact O-CB 3.23Å; Q108-A112 WeakPolarHBondContact O-CB 3.31Å; Q108-A112 PolarHBondContact O-N 3.19Å; L109-A112 PolarHBondContact O-N 3.12Å; A112-C114 VanDerWaalsContact C-N 3.33Å; A112-C114 PolarHBondContact O-N 3.11Å; A112-L115 PolarHBondContact O-N 3.21Å; A112-I116 WeakPolarHBondContact O-CB 3.34Å; A112-I116 WeakPolarHBondContact O-CD1 3.27Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.48Å; A112-I116 PolarHBondContact O-N 2.99Å
113F89.7Confident85.3Confident74 Ų7435 Ų3533%0.32518%0.183SC..Hα-helixtrans-59.3-43.4176.7177-90.8000111.9L109 V110 P111 T117 L135 V138 L142L109-F113 VanDerWaalsContact O-CB 3.22Å; L109-F113 WeakPolarHBondContact O-CB 3.47Å; L109-F113 PolarHBondContact O-N 3.41Å; V110-F113 PolarHBondContact O-N 3.17Å; P111-F113 PolarHBondContact O-N 2.94Å; F113-T117 WeakPolarHBondContact CE1-OG1 3.34Å; F113-T117 WeakPolarHBondContact O-CB 3.32Å; F113-T117 PolarHBondContact O-N 3.26Å; F113-T117 PolarHBondContact O-OG1 3.39Å; F113-L135 HydrophobicContact CE2-CD2 4.17Å; F113-L135 HydrophobicContact CZ-CD2 3.82Å; F113-V138 HydrophobicContact CD1-CG1 4.47Å; F113-V138 HydrophobicContact CE1-CB 4.23Å; F113-V138 HydrophobicContact CE1-CG1 3.51Å; F113-V138 HydrophobicContact CZ-CB 4.4Å; F113-V138 HydrophobicContact CZ-CG1 3.85Å; F113-L142 HydrophobicContact CD1-CD1 3.66Å; F113-L142 HydrophobicContact CE1-CD1 3.89Å
114C85Confident85Confident9 Ų940.7 Ų40.76%0.06120%0.204CC..Hα-helixtrans-64-44.5179-69.50000111.6V110 P111 A112 T117 I118 L139V110-C114 WeakPolarHBondContact O-CB 3.46Å; V110-C114 PolarHBondContact O-N 2.6Å; V110-C114 PolarHBondContact O-SG 2.95Å; P111-C114 PolarHBondContact O-N 3.46Å; A112-C114 VanDerWaalsContact C-N 3.33Å; A112-C114 PolarHBondContact O-N 3.11Å; C114-T117 PolarHBondContact O-N 3.47Å; C114-I118 VanDerWaalsContact O-CG1 3.25Å; C114-I118 WeakPolarHBondContact O-CG1 3.49Å; C114-I118 PolarHBondContact O-N 3.37Å; C114-L139 HydrophobicContact CB-CD1 3.73Å
115L84Confident84.6Confident30 Ų3039.6 Ų39.616%0.15720%0.203CC..Hα-helixtrans-65.2-46.5179-66.1171.1000111.9A55 A58 L59 P111 A112 T117 I118 L119A55-L115 HydrophobicContact CB-CD2 4.2Å; A58-L115 HydrophobicContact CB-CD1 3.77Å; A58-L115 HydrophobicContact CB-CD2 3.78Å; A58-L115 HydrophobicContact CB-CG 4.45Å; L59-L115 HydrophobicContact CB-CD1 4.48Å; P111-L115 VanDerWaalsContact O-CG 3.26Å; P111-L115 WeakPolarHBondContact O-CG 3.27Å; P111-L115 PolarHBondContact O-N 3.44Å; A112-L115 PolarHBondContact O-N 3.21Å; L115-T117 VanDerWaalsContact C-N 3.31Å; L115-T117 PolarHBondContact O-N 2.83Å; L115-I118 PolarHBondContact O-N 3.45Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.91Å
116I87.9Confident84.4Confident78 Ų7846 Ų4640%0.423%0.231SC..Hα-helixtrans-61.1-43.6176-67.2165.9000110.2L59 A112 I118 L119 L120L59-I116 HydrophobicContact CD1-CG1 4.29Å; L59-I116 HydrophobicContact CD2-CG1 4.5Å; A112-I116 WeakPolarHBondContact O-CB 3.34Å; A112-I116 WeakPolarHBondContact O-CD1 3.27Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.48Å; A112-I116 PolarHBondContact O-N 2.99Å; I116-I118 VanDerWaalsContact C-N 3.34Å; I116-I118 PolarHBondContact O-N 2.91Å; I116-L119 WeakPolarHBondContact O-CB 3.37Å; I116-L119 PolarHBondContact O-N 3.41Å; I116-L120 HydrophobicContact CG2-CD1 3.93Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 3.29Å
117T86.4Confident84.3Confident2 Ų247 Ų471%0.01224%0.237CC..Hα-helixtrans-63-40.2178.1-61.40000111.9F113 C114 L115 L120 L121 L135 L139F113-T117 WeakPolarHBondContact CE1-OG1 3.34Å; F113-T117 WeakPolarHBondContact O-CB 3.32Å; F113-T117 PolarHBondContact O-N 3.26Å; F113-T117 PolarHBondContact O-OG1 3.39Å; C114-T117 PolarHBondContact O-N 3.47Å; L115-T117 VanDerWaalsContact C-N 3.31Å; L115-T117 PolarHBondContact O-N 2.83Å; T117-L120 PolarHBondContact O-N 2.86Å; T117-L121 HydrophobicContact CG2-CD1 3.66Å; T117-L121 HydrophobicContact CG2-CG 4.16Å; T117-L121 WeakPolarHBondContact O-CB 3.24Å; T117-L121 VanDerWaalsContact O-CG 3.28Å; T117-L121 WeakPolarHBondContact O-CG 3.17Å; T117-L121 PolarHBondContact O-N 3.2Å; T117-L135 HydrophobicContact CG2-CB 3.78Å; T117-L135 HydrophobicContact CG2-CD2 4.32Å; T117-L135 HydrophobicContact CG2-CG 4.49Å; T117-L139 HydrophobicContact CG2-CB 3.99Å; T117-L139 HydrophobicContact CG2-CD1 4.47Å; T117-L139 HydrophobicContact CG2-CD2 4.26Å; T117-L139 HydrophobicContact CG2-CG 4.47Å
118I84.4Confident84.6Confident14 Ų1450.6 Ų50.67%0.07226%0.26CS..Hα-helixtrans-60.5-46173.8-71.5164.1000110.4P51 A55 C114 L115 I116 L120 L121 V122 L139 I168 V171P51-I118 HydrophobicContact CB-CG2 4.26Å; A55-I118 HydrophobicContact CB-CB 4.47Å; A55-I118 HydrophobicContact CB-CG2 4.04Å; C114-I118 VanDerWaalsContact O-CG1 3.25Å; C114-I118 WeakPolarHBondContact O-CG1 3.49Å; C114-I118 PolarHBondContact O-N 3.37Å; L115-I118 PolarHBondContact O-N 3.45Å; I116-I118 VanDerWaalsContact C-N 3.34Å; I116-I118 PolarHBondContact O-N 2.91Å; I118-L120 PolarHBondContact O-N 3.36Å; I118-L121 PolarHBondContact O-N 3.35Å; I118-V122 HydrophobicContact CG2-CG2 4.03Å; I118-V122 VanDerWaalsContact O-CB 3.26Å; I118-V122 WeakPolarHBondContact O-CB 3.26Å; I118-V122 VanDerWaalsContact O-CG2 3.24Å; I118-V122 WeakPolarHBondContact O-CG2 3.45Å; I118-V122 PolarHBondContact O-N 3.44Å; I118-L139 HydrophobicContact CD1-CD1 4.32Å; I118-L139 HydrophobicContact CG1-CD1 4.03Å; I118-L139 HydrophobicContact CG1-CD2 3.88Å; I118-I168 HydrophobicContact CD1-CG2 4.21Å; I118-V171 HydrophobicContact CG2-CG2 4.08Å
119L86.2Confident84.6Confident25 Ų2552.8 Ų52.813%0.13128%0.276CS..Hα-helixtrans-61-43.8178.3-68.6171.1000112.3T52 A55 L56 L59 L115 I116 N123T52-L119 HydrophobicContact CG2-CD2 3.86Å; A55-L119 HydrophobicContact CB-CD1 4.46Å; A55-L119 HydrophobicContact CB-CD2 3.75Å; A55-L119 HydrophobicContact CB-CG 3.82Å; L56-L119 HydrophobicContact CD2-CD1 3.89Å; L56-L119 HydrophobicContact CD2-CD2 4.08Å; L56-L119 HydrophobicContact CG-CD1 4.4Å; L56-L119 HydrophobicContact CG-CD2 3.79Å; L59-L119 HydrophobicContact CD2-CD1 4.26Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.91Å; I116-L119 WeakPolarHBondContact O-CB 3.37Å; I116-L119 PolarHBondContact O-N 3.41Å; L119-N123 VanDerWaalsContact O-CB 3.28Å; L119-N123 WeakPolarHBondContact O-CB 3.25Å; L119-N123 PolarHBondContact O-N 3.21Å; L119-N123 PolarHBondContact O-ND2 2.97Å
120L87.8Confident84.5Confident59 Ų5957.5 Ų57.531%0.30929%0.287SS..Hα-helixtrans-65.6-43179.2-70.4173.5000112.4I116 T117 I118 A125 L127 L135I116-L120 HydrophobicContact CG2-CD1 3.93Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 3.29Å; T117-L120 PolarHBondContact O-N 2.86Å; I118-L120 PolarHBondContact O-N 3.36Å; L120-A125 HydrophobicContact CD2-CB 3.98Å; L120-A125 WeakPolarHBondContact O-CB 3.2Å; L120-A125 PolarHBondContact O-N 3.21Å; L120-L127 HydrophobicContact CB-CD1 4.1Å; L120-L127 HydrophobicContact CD1-CD1 4.44Å; L120-L135 HydrophobicContact CD1-CD1 4.43Å
121L86.1Confident84.4Confident8 Ų860.3 Ų60.34%0.04230%0.301CS..Hα-helixtrans-77.9-40.3-176.5-65.5175.5000112.6T117 I118 K132 L135 A136 L139 L176 I180T117-L121 HydrophobicContact CG2-CD1 3.66Å; T117-L121 HydrophobicContact CG2-CG 4.16Å; T117-L121 WeakPolarHBondContact O-CB 3.24Å; T117-L121 VanDerWaalsContact O-CG 3.28Å; T117-L121 WeakPolarHBondContact O-CG 3.17Å; T117-L121 PolarHBondContact O-N 3.2Å; I118-L121 PolarHBondContact O-N 3.35Å; L121-K132 HydrophobicContact CD2-CB 3.95Å; L121-K132 HydrophobicContact CD2-CG 4.09Å; L121-L135 HydrophobicContact CD1-CB 4.39Å; L121-L135 HydrophobicContact CD2-CB 4.38Å; L121-A136 HydrophobicContact CD1-CB 3.9Å; L121-L139 HydrophobicContact CD1-CD2 4.4Å; L121-L176 HydrophobicContact CB-CD1 3.97Å; L121-L176 HydrophobicContact CD1-CD2 4.13Å; L121-I180 HydrophobicContact CD2-CD1 4.2Å
122V85Confident84.7Confident1 Ų161.9 Ų61.91%0.00631%0.307CS..Hα-helixtrans-75.8-34.3-176.7175.60000112.3R48 P51 I118 R124 V171 W175 L176R48-V122 HydrophobicContact CB-CG1 4.01Å; R48-V122 HydrophobicContact CG-CG1 4.04Å; R48-V122 WeakPolarHBondContact O-CG1 3.49Å; P51-V122 HydrophobicContact CB-CG2 4.36Å; I118-V122 HydrophobicContact CG2-CG2 4.03Å; I118-V122 VanDerWaalsContact O-CB 3.26Å; I118-V122 WeakPolarHBondContact O-CB 3.26Å; I118-V122 VanDerWaalsContact O-CG2 3.24Å; I118-V122 WeakPolarHBondContact O-CG2 3.45Å; I118-V122 PolarHBondContact O-N 3.44Å; V122-R124 VanDerWaalsContact C-N 3.29Å; V122-R124 PolarHBondContact O-N 2.93Å; V122-V171 HydrophobicContact CG2-CG2 4.13Å; V122-W175 HydrophobicContact CG1-CH2 4.32Å; V122-W175 HydrophobicContact CG2-CZ3 4.39Å; V122-L176 HydrophobicContact CG2-CD1 4.16Å
123N82.7Confident84.7Confident89 Ų8963 Ų6348%0.47631%0.309SS..THydrogen-bonded Turntrans-8912.8-179.7-63.3-36.3000113.9T52 L119 A125T52-N123 WeakPolarHBondContact CG2-ND2 3.26Å; T52-N123 PolarHBondContact OG1-ND2 3.33Å; T52-N123 PolarHBondContact OG1-OD1 3.11Å; L119-N123 VanDerWaalsContact O-CB 3.28Å; L119-N123 WeakPolarHBondContact O-CB 3.25Å; L119-N123 PolarHBondContact O-N 3.21Å; L119-N123 PolarHBondContact O-ND2 2.97Å; N123-A125 PolarHBondContact O-N 2.93Å
124R76.1Confident84.6Confident128 Ų12864.6 Ų64.648%0.48332%0.317SS..THydrogen-bonded Turntrans50.648.4179-67.5-173.6168.9178.9-2.7113.8R48 V122 D179R48-R124 VanDerWaalsContact NH2-NE 3.12Å; V122-R124 VanDerWaalsContact C-N 3.29Å; V122-R124 PolarHBondContact O-N 2.93Å; R124-D179 IonicContact CZ-OD1 2.74Å; R124-D179 IonicContact CZ-OD2 2.76Å; R124-D179 IonicContact NE-OD1 3.73Å; R124-D179 PolarHBondContact NE-OD1 3.39Å; R124-D179 IonicContact NE-OD2 3.99Å; R124-D179 PolarHBondContact NE-OD2 3.46Å; R124-D179 VanDerWaalsContact NE-OD2 3.1Å; R124-D179 IonicContact NH2-OD1 2.76Å; R124-D179 PolarHBondContact NH2-OD1 3.49Å; R124-D179 IonicContact NH2-OD2 3.13Å
125A80.2Confident84.8Confident29 Ų2965.3 Ų65.324%0.2432%0.32CS..  trans-54.4145.3170.500000111.1L120 N123 L127 K132L120-A125 HydrophobicContact CD2-CB 3.98Å; L120-A125 WeakPolarHBondContact O-CB 3.2Å; L120-A125 PolarHBondContact O-N 3.21Å; N123-A125 PolarHBondContact O-N 2.93Å; A125-L127 HydrophobicContact CB-CD1 4.15Å; A125-L127 HydrophobicContact CB-CG 4.09Å; A125-L127 PolarHBondContact O-N 2.88Å; A125-K132 WeakPolarHBondContact O-CE 3.28Å; A125-K132 PolarHBondContact O-NZ 3.46Å; A125-K132 VanDerWaalsContact O-NZ 3.11Å
126E82.5Confident84.9Confident202 Ų20263.9 Ų63.994%0.94431%0.313SS*.SBendtrans-70.473.5177.2-66.4-173.8177.800110.7
127L82.7Confident84.8Confident43 Ų4362.9 Ų62.923%0.22530%0.304CS..  trans-112.6144.2178-60.5170.2000110.2L120 A125 L131 K132 L135L120-L127 HydrophobicContact CB-CD1 4.1Å; L120-L127 HydrophobicContact CD1-CD1 4.44Å; A125-L127 HydrophobicContact CB-CD1 4.15Å; A125-L127 HydrophobicContact CB-CG 4.09Å; A125-L127 PolarHBondContact O-N 2.88Å; L127-L131 HydrophobicContact CB-CD2 4.38Å; L127-L131 HydrophobicContact CD2-CD2 3.9Å; L127-K132 HydrophobicContact CB-CG 3.96Å; L127-K132 VanDerWaalsContact O-CE 3.31Å; L127-K132 WeakPolarHBondContact O-CE 3.24Å; L127-L135 HydrophobicContact CD1-CD1 4Å
128P85.8Confident84.8Confident87 Ų8765.2 Ų65.257%0.56532%0.318SS*.  trans-59.8142.5174.422.7-30.6000110.8R130 L131 K132P128-R130 PolarHBondContact O-N 3.46Å; P128-R130 VanDerWaalsContact O-N 3.15Å; P128-L131 HydrophobicContact CG-CB 3.86Å; P128-L131 HydrophobicContact CG-CD2 4.42Å; P128-L131 WeakPolarHBondContact O-CA 3.43Å; P128-L131 WeakPolarHBondContact O-CB 3.37Å; P128-L131 PolarHBondContact O-N 3.33Å; P128-K132 PolarHBondContact O-N 2.89Å; P128-K132 VanDerWaalsContact O-N 3.12Å
129V82.8Confident84.9Confident86 Ų8665 Ų6552%0.52132%0.317SS..Hα-helixtrans-53.4-40.7-174.3179.80000112L131 K132 E133V129-L131 VanDerWaalsContact C-N 3.3Å; V129-L131 PolarHBondContact O-N 3.44Å; V129-K132 WeakPolarHBondContact O-CB 3.26Å; V129-K132 PolarHBondContact O-N 3.34Å; V129-K132 VanDerWaalsContact O-N 3.15Å; V129-E133 HydrophobicContact CG1-CG 4.41Å; V129-E133 WeakPolarHBondContact O-CG 3.41Å; V129-E133 PolarHBondContact O-N 3.19Å
130R85Confident84.7Confident204 Ų20465.5 Ų65.577%0.7732%0.318SS*.Hα-helixtrans-57.7-39.7175.6-70.2-173.7176.1171.30.4113.1P128 Q134P128-R130 PolarHBondContact O-N 3.46Å; P128-R130 VanDerWaalsContact O-N 3.15Å; R130-Q134 WeakPolarHBondContact O-CB 3.33Å; R130-Q134 VanDerWaalsContact O-CG 3.28Å; R130-Q134 WeakPolarHBondContact O-CG 3.28Å; R130-Q134 PolarHBondContact O-N 3.17Å
131L86.6Confident84.4Confident65 Ų6568 Ų6834%0.3433%0.328SS..Hα-helixtrans-72.6-38.3178.7-172.666.7000110.6L127 P128 V129 E133 Q134 L135L127-L131 HydrophobicContact CB-CD2 4.38Å; L127-L131 HydrophobicContact CD2-CD2 3.9Å; P128-L131 HydrophobicContact CG-CB 3.86Å; P128-L131 HydrophobicContact CG-CD2 4.42Å; P128-L131 WeakPolarHBondContact O-CA 3.43Å; P128-L131 WeakPolarHBondContact O-CB 3.37Å; P128-L131 PolarHBondContact O-N 3.33Å; V129-L131 VanDerWaalsContact C-N 3.3Å; V129-L131 PolarHBondContact O-N 3.44Å; L131-E133 PolarHBondContact O-N 2.92Å; L131-Q134 PolarHBondContact O-N 3.44Å; L131-L135 HydrophobicContact CD1-CG 4.46Å; L131-L135 HydrophobicContact CG-CD1 4.14Å; L131-L135 HydrophobicContact CG-CG 4.32Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.5Å; L131-L135 PolarHBondContact O-N 3.39Å
132K86.8Confident84.1Confident48 Ų4869.4 Ų69.421%0.20934%0.336CS..Hα-helixtrans-60.3-45.3173.2-67.1-175.7176.5178.70111.7L121 A125 L127 P128 V129 A136 I180L121-K132 HydrophobicContact CD2-CB 3.95Å; L121-K132 HydrophobicContact CD2-CG 4.09Å; A125-K132 WeakPolarHBondContact O-CE 3.28Å; A125-K132 PolarHBondContact O-NZ 3.46Å; A125-K132 VanDerWaalsContact O-NZ 3.11Å; L127-K132 HydrophobicContact CB-CG 3.96Å; L127-K132 VanDerWaalsContact O-CE 3.31Å; L127-K132 WeakPolarHBondContact O-CE 3.24Å; P128-K132 PolarHBondContact O-N 2.89Å; P128-K132 VanDerWaalsContact O-N 3.12Å; V129-K132 WeakPolarHBondContact O-CB 3.26Å; V129-K132 PolarHBondContact O-N 3.34Å; V129-K132 VanDerWaalsContact O-N 3.15Å; K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.47Å; K132-A136 PolarHBondContact O-N 3.45Å; K132-I180 HydrophobicContact CB-CG2 4.07Å
133E85.7Confident83.6Confident43 Ų4373.5 Ų73.520%0.20135%0.354CS..Hα-helixtrans-62-42.9176-70.9175.4-17800112.3V129 L131 R137 W177 I180V129-E133 HydrophobicContact CG1-CG 4.41Å; V129-E133 WeakPolarHBondContact O-CG 3.41Å; V129-E133 PolarHBondContact O-N 3.19Å; L131-E133 PolarHBondContact O-N 2.92Å; E133-R137 VanDerWaalsContact O-CB 3.25Å; E133-R137 WeakPolarHBondContact O-CB 3.38Å; E133-R137 PolarHBondContact O-N 3.28Å; E133-W177 HydrophobicContact CB-CH2 4.46Å; E133-W177 HydrophobicContact CB-CZ3 4.45Å; E133-W177 HydrophobicContact CG-CZ3 4.22Å; E133-I180 HydrophobicContact CG-CG2 3.99Å
134Q86.9Confident83Confident107 Ų10773.7 Ų73.750%0.536%0.358SS..Hα-helixtrans-65.8-49.2177.1-76177.34.300111.7R130 L131 A136 R137 V138R130-Q134 WeakPolarHBondContact O-CB 3.33Å; R130-Q134 VanDerWaalsContact O-CG 3.28Å; R130-Q134 WeakPolarHBondContact O-CG 3.28Å; R130-Q134 PolarHBondContact O-N 3.17Å; L131-Q134 PolarHBondContact O-N 3.44Å; Q134-A136 PolarHBondContact O-N 3.08Å; Q134-R137 WeakPolarHBondContact O-CB 3.33Å; Q134-R137 PolarHBondContact O-N 2.96Å; Q134-V138 VanDerWaalsContact O-CG2 3.29Å; Q134-V138 WeakPolarHBondContact O-CG2 3.38Å; Q134-V138 PolarHBondContact O-N 3.48Å
135L89.2Confident82.8Confident23 Ų2374.5 Ų74.512%0.1236%0.361CS..Hα-helixtrans-58.4-46.3177.6-76.7178.2000111.4F113 T117 L120 L121 L127 L131 R137 V138 L139F113-L135 HydrophobicContact CE2-CD2 4.17Å; F113-L135 HydrophobicContact CZ-CD2 3.82Å; T117-L135 HydrophobicContact CG2-CB 3.78Å; T117-L135 HydrophobicContact CG2-CD2 4.32Å; T117-L135 HydrophobicContact CG2-CG 4.49Å; L120-L135 HydrophobicContact CD1-CD1 4.43Å; L121-L135 HydrophobicContact CD1-CB 4.39Å; L121-L135 HydrophobicContact CD2-CB 4.38Å; L127-L135 HydrophobicContact CD1-CD1 4Å; L131-L135 HydrophobicContact CD1-CG 4.46Å; L131-L135 HydrophobicContact CG-CD1 4.14Å; L131-L135 HydrophobicContact CG-CG 4.32Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.5Å; L131-L135 PolarHBondContact O-N 3.39Å; L135-R137 PolarHBondContact O-N 3.22Å; L135-V138 PolarHBondContact O-N 2.97Å; L135-L139 VanDerWaalsContact O-CB 3.23Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 PolarHBondContact O-N 3.36Å
136A86.3Confident82.2Confident0 Ų073.8 Ų73.80%036%0.356CS..Hα-helixtrans-62.9-41.8176.100000111.8L121 K132 Q134 L139 F140 W177 I180L121-A136 HydrophobicContact CD1-CB 3.9Å; K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.47Å; K132-A136 PolarHBondContact O-N 3.45Å; Q134-A136 PolarHBondContact O-N 3.08Å; A136-L139 PolarHBondContact O-N 3.46Å; A136-F140 WeakPolarHBondContact O-CD2 3.35Å; A136-F140 PolarHBondContact O-N 3.01Å; A136-F140 VanDerWaalsContact O-N 3.11Å; A136-W177 HydrophobicContact CB-CH2 3.92Å; A136-W177 HydrophobicContact CB-CZ2 3.59Å; A136-I180 HydrophobicContact CB-CD1 3.66Å
137R86.2Confident81.6Confident57 Ų5766 Ų6622%0.21532%0.321CS..Hα-helixtrans-61.3-48.1176.6-173.9-169.4-61.31589.9111.7E133 Q134 L135 F140 Q141 C221 S222E133-R137 VanDerWaalsContact O-CB 3.25Å; E133-R137 WeakPolarHBondContact O-CB 3.38Å; E133-R137 PolarHBondContact O-N 3.28Å; Q134-R137 WeakPolarHBondContact O-CB 3.33Å; Q134-R137 PolarHBondContact O-N 2.96Å; L135-R137 PolarHBondContact O-N 3.22Å; R137-F140 PolarHBondContact O-N 2.98Å; R137-Q141 WeakPolarHBondContact O-CG 3.44Å; R137-Q141 PolarHBondContact O-N 2.9Å; R137-C221 PolarHBondContact NE-O 2.92Å; R137-C221 PolarHBondContact NH2-O 3.31Å; R137-S222 PolarHBondContact NH2-OG 2.87Å; R137-S222 VanDerWaalsContact NH2-OG 3.09Å
138V86.5Confident80.8Confident51 Ų5165.7 Ų65.731%0.30932%0.324SS..Hα-helixtrans-66.2-42.8180176.50000110.3F113 Q134 L135 F140 Q141 L142F113-V138 HydrophobicContact CD1-CG1 4.47Å; F113-V138 HydrophobicContact CE1-CB 4.23Å; F113-V138 HydrophobicContact CE1-CG1 3.51Å; F113-V138 HydrophobicContact CZ-CB 4.4Å; F113-V138 HydrophobicContact CZ-CG1 3.85Å; Q134-V138 VanDerWaalsContact O-CG2 3.29Å; Q134-V138 WeakPolarHBondContact O-CG2 3.38Å; Q134-V138 PolarHBondContact O-N 3.48Å; L135-V138 PolarHBondContact O-N 2.97Å; V138-F140 PolarHBondContact O-N 3.4Å; V138-Q141 PolarHBondContact O-N 3.3Å; V138-Q141 VanDerWaalsContact O-N 3.12Å; V138-L142 HydrophobicContact CG1-CD1 3.46Å; V138-L142 VanDerWaalsContact CG1-CD1 3.46Å; V138-L142 HydrophobicContact CG1-CG 3.92Å; V138-L142 WeakPolarHBondContact O-CB 3.25Å; V138-L142 PolarHBondContact O-N 2.89Å
139L86.5Confident79.8Confident9 Ų964 Ų645%0.04731%0.308CS..Hα-helixtrans-53.6-49.6175.5177.268.3000111.7C114 T117 I118 L121 L135 A136 Q141 K143 L176C114-L139 HydrophobicContact CB-CD1 3.73Å; T117-L139 HydrophobicContact CG2-CB 3.99Å; T117-L139 HydrophobicContact CG2-CD1 4.47Å; T117-L139 HydrophobicContact CG2-CD2 4.26Å; T117-L139 HydrophobicContact CG2-CG 4.47Å; I118-L139 HydrophobicContact CD1-CD1 4.32Å; I118-L139 HydrophobicContact CG1-CD1 4.03Å; I118-L139 HydrophobicContact CG1-CD2 3.88Å; L121-L139 HydrophobicContact CD1-CD2 4.4Å; L135-L139 VanDerWaalsContact O-CB 3.23Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 PolarHBondContact O-N 3.36Å; A136-L139 PolarHBondContact O-N 3.46Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 2.89Å; L139-K143 VanDerWaalsContact O-CB 3.32Å; L139-K143 WeakPolarHBondContact O-CB 3.43Å; L139-K143 PolarHBondContact O-N 2.99Å; L139-L176 HydrophobicContact CD2-CD2 4.45Å
140F81.9Confident79.1Confident37 Ų3760.3 Ų60.316%0.16229%0.285CS..Hα-helixtrans-73.1-20-179-69.4-60.4000114A136 R137 V138 R173 L176 W177A136-F140 WeakPolarHBondContact O-CD2 3.35Å; A136-F140 PolarHBondContact O-N 3.01Å; A136-F140 VanDerWaalsContact O-N 3.11Å; R137-F140 PolarHBondContact O-N 2.98Å; V138-F140 PolarHBondContact O-N 3.4Å; F140-R173 HydrophobicContact CD1-CG 4.41Å; F140-R173 HydrophobicContact CE1-CB 3.95Å; F140-R173 HydrophobicContact CE1-CG 3.92Å; F140-R173 HydrophobicContact CE2-CG 4.09Å; F140-R173 HydrophobicContact CZ-CB 3.95Å; F140-R173 HydrophobicContact CZ-CG 3.76Å; F140-L176 HydrophobicContact CE2-CD2 4.04Å; F140-L176 HydrophobicContact CZ-CD2 3.9Å; F140-W177 AromaticContact CD2-NE1 3.49Å; F140-W177 AromaticContact CE2-CD1 3.71Å; F140-W177 AromaticContact CE2-NE1 3.24Å
141Q80.6Confident78.2Confident111 Ų11151.9 Ų51.952%0.51925%0.254SS..Hα-helixtrans-82.3-45172.6-72.8178.9-5.600112R137 V138 L139 K143R137-Q141 WeakPolarHBondContact O-CG 3.44Å; R137-Q141 PolarHBondContact O-N 2.9Å; V138-Q141 PolarHBondContact O-N 3.3Å; V138-Q141 VanDerWaalsContact O-N 3.12Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 2.89Å; Q141-K143 VanDerWaalsContact C-N 3.3Å; Q141-K143 PolarHBondContact O-N 3.22Å
142L80.9Confident77.1Confident38 Ų3851.5 Ų51.520%0.19925%0.252CS..Hα-helixtrans-73.6-19.5178.6-74.5179.7000113V110 F113 V138 T144 W145 G146V110-L142 HydrophobicContact CG1-CB 4.12Å; V110-L142 HydrophobicContact CG1-CD2 4.32Å; V110-L142 HydrophobicContact CG2-CD2 4.16Å; F113-L142 HydrophobicContact CD1-CD1 3.66Å; F113-L142 HydrophobicContact CE1-CD1 3.89Å; V138-L142 HydrophobicContact CG1-CD1 3.46Å; V138-L142 VanDerWaalsContact CG1-CD1 3.46Å; V138-L142 HydrophobicContact CG1-CG 3.92Å; V138-L142 WeakPolarHBondContact O-CB 3.25Å; V138-L142 PolarHBondContact O-N 2.89Å; L142-T144 PolarHBondContact O-N 3.48Å; L142-T144 VanDerWaalsContact O-N 3.09Å; L142-W145 HydrophobicContact CD2-CB 4.35Å; L142-W145 CarbonylContact O-C 3.5Å; L142-W145 WeakPolarHBondContact O-CA 3.23Å; L142-W145 WeakPolarHBondContact O-CB 3.43Å; L142-W145 PolarHBondContact O-N 3.32Å; L142-G146 PolarHBondContact O-N 2.95Å
143K73.5Confident75.8Confident87 Ų8750.9 Ų50.938%0.37826%0.256SS..THydrogen-bonded Turntrans-51.7-35176.1176.5174.8170.5174.50112.6L139 Q141 W145 I168L139-K143 VanDerWaalsContact O-CB 3.32Å; L139-K143 WeakPolarHBondContact O-CB 3.43Å; L139-K143 PolarHBondContact O-N 2.99Å; Q141-K143 VanDerWaalsContact C-N 3.3Å; Q141-K143 PolarHBondContact O-N 3.22Å; K143-W145 VanDerWaalsContact C-N 3.32Å; K143-I168 VanDerWaalsContact CE-O 3.26Å; K143-I168 WeakPolarHBondContact CE-O 3.47Å; K143-I168 PolarHBondContact NZ-O 3.23Å
144T70Confident74.5Confident93 Ų9351.1 Ų51.157%0.57127%0.271SS*.THydrogen-bonded Turntrans-80.2-17.1178.6-22.40000113L142L142-T144 PolarHBondContact O-N 3.48Å; L142-T144 VanDerWaalsContact O-N 3.09Å
145W71.4Confident73.3Confident145 Ų14549.2 Ų49.255%0.54927%0.266SS..THydrogen-bonded Turntrans-95.5-26.4-177.2-7341.3000111.6F106 L142 K143 M147F106-W145 HydrophobicContact CD1-CB 4.28Å; F106-W145 HydrophobicContact CD1-CE3 4.49Å; F106-W145 WeakPolarHBondContact CD1-O 3.12Å; F106-W145 HydrophobicContact CE1-CB 3.96Å; F106-W145 AromaticContact CE1-CD2 3.93Å; F106-W145 HydrophobicContact CE1-CD2 3.93Å; F106-W145 AromaticContact CE1-CE3 3.31Å; F106-W145 HydrophobicContact CE1-CE3 3.31Å; F106-W145 HydrophobicContact CE1-CG 4.25Å; F106-W145 HydrophobicContact CE1-CZ3 4.01Å; F106-W145 AromaticContact CZ-CE3 3.68Å; F106-W145 HydrophobicContact CZ-CE3 3.68Å; F106-W145 AromaticContact CZ-CZ3 3.88Å; F106-W145 HydrophobicContact CZ-CZ3 3.88Å; L142-W145 HydrophobicContact CD2-CB 4.35Å; L142-W145 CarbonylContact O-C 3.5Å; L142-W145 WeakPolarHBondContact O-CA 3.23Å; L142-W145 WeakPolarHBondContact O-CB 3.43Å; L142-W145 PolarHBondContact O-N 3.32Å; K143-W145 VanDerWaalsContact C-N 3.32Å; W145-M147 WeakPolarHBondContact O-CG 3.2Å; W145-M147 PolarHBondContact O-N 3.09Å
146G67.8Low71.7Confident13 Ų1349.1 Ų49.113%0.13427%0.266CS..  trans-66.2113.4176.300000111.6L142 A148L142-G146 PolarHBondContact O-N 2.95Å; G146-A148 PolarHBondContact O-N 2.81Å
147M70.2Confident69.5Low40 Ų4055.7 Ų55.720%0.19731%0.305CS..  trans-91.136.5-178.5-56.6-156.4-170.400112.6F106 W145 E149 I150 F151 M336F106-M147 HydrophobicContact CB-CG 4.44Å; F106-M147 HydrophobicContact CG-CE 4.48Å; W145-M147 WeakPolarHBondContact O-CG 3.2Å; W145-M147 PolarHBondContact O-N 3.09Å; M147-E149 PolarHBondContact O-N 2.91Å; M147-I150 HydrophobicContact CB-CB 4.31Å; M147-I150 HydrophobicContact CB-CD1 3.98Å; M147-I150 HydrophobicContact CB-CG1 4.26Å; M147-I150 HydrophobicContact CG-CD1 4.23Å; M147-I150 PolarHBondContact O-N 3.15Å; M147-I150 HydrophobicContact SD-CD1 3.54Å; M147-I150 VanDerWaalsContact SD-CD1 3.54Å; M147-F151 PolarHBondContact O-N 3.48Å; M147-F151 VanDerWaalsContact O-N 3.1Å; M147-M336 HydrophobicContact CE-CB 3.93Å; M147-M336 HydrophobicContact CE-CE 3.75Å; M147-M336 HydrophobicContact CE-CG 4.13Å; M147-M336 HydrophobicContact CE-SD 3.17Å; M147-M336 WeakPolarHBondContact CE-SD 3.22Å; M147-M336 HydrophobicContact SD-CB 3.61Å; M147-M336 HydrophobicContact SD-CG 3.96Å; M147-M336 HydrophobicContact SD-SD 3.45Å
148A65.8Low67.5Low35 Ų3558.1 Ų58.129%0.28933%0.331SS..Hα-helixtrans-58.6-31.5-178.800000112.2G146 F151 L152G146-A148 PolarHBondContact O-N 2.81Å; A148-F151 PolarHBondContact O-N 3.35Å; A148-L152 WeakPolarHBondContact O-CB 3.25Å; A148-L152 PolarHBondContact O-N 3.29Å
149E65.9Low65.8Low51 Ų5159.9 Ų59.924%0.23834%0.335CS..Hα-helixtrans-62.2-41.6175.1-64176.2-176.100111.7M147 A153 R333M147-E149 PolarHBondContact O-N 2.91Å; E149-A153 WeakPolarHBondContact O-CB 3.49Å; E149-A153 PolarHBondContact O-N 2.72Å; E149-R333 IonicContact OE1-NE 3.88Å; E149-R333 PolarHBondContact OE1-NE 2.66Å; E149-R333 VanDerWaalsContact OE1-NE 3.17Å; E149-R333 VanDerWaalsContact OE2-CD 3.32Å; E149-R333 WeakPolarHBondContact OE2-CD 3.32Å; E149-R333 IonicContact OE2-NE 3.1Å; E149-R333 PolarHBondContact OE2-NE 3.28Å; E149-R333 VanDerWaalsContact OE2-NE 3.11Å
150I67.8Low63.7Low9 Ų964.2 Ų64.25%0.04636%0.361CS..Hα-helixtrans-69.7-45.8178.5-58.7-179.9000110.5M147 L152 A153 G154 R333 M336 I337 F340M147-I150 HydrophobicContact CB-CB 4.31Å; M147-I150 HydrophobicContact CB-CD1 3.98Å; M147-I150 HydrophobicContact CB-CG1 4.26Å; M147-I150 HydrophobicContact CG-CD1 4.23Å; M147-I150 PolarHBondContact O-N 3.15Å; M147-I150 HydrophobicContact SD-CD1 3.54Å; M147-I150 VanDerWaalsContact SD-CD1 3.54Å; I150-L152 VanDerWaalsContact C-N 3.3Å; I150-L152 PolarHBondContact O-N 2.72Å; I150-A153 WeakPolarHBondContact O-CB 3.32Å; I150-A153 PolarHBondContact O-N 3.4Å; I150-G154 PolarHBondContact O-N 2.81Å; I150-R333 WeakPolarHBondContact CD1-O 3.25Å; I150-M336 HydrophobicContact CD1-CB 4.14Å; I150-I337 HydrophobicContact CB-CG1 4.35Å; I150-I337 HydrophobicContact CD1-CG1 4.28Å; I150-I337 HydrophobicContact CG1-CG1 4.08Å; I150-I337 HydrophobicContact CG2-CG1 3.61Å; I150-F340 HydrophobicContact CG2-CB 4.14Å; I150-F340 HydrophobicContact CG2-CD1 4.35Å; I150-F340 HydrophobicContact CG2-CG 4.14Å
151F66.3Low61.6Low27 Ų2771.1 Ų71.112%0.11839%0.392CS..Hα-helixtrans-56.7-45.9176.9176.9-105.8000111.2L62 S65 F70 L84 V107 M147 A148 G154 V155 F340L62-F151 HydrophobicContact CD1-CE1 4.43Å; S65-F151 WeakPolarHBondContact OG-CZ 3.42Å; F70-F151 AromaticContact CE2-CE2 3.73Å; F70-F151 HydrophobicContact CE2-CE2 3.73Å; F70-F151 HydrophobicContact CE2-CZ 4.24Å; F70-F151 HydrophobicContact CZ-CE2 4.3Å; L84-F151 HydrophobicContact CD1-CD2 4.4Å; L84-F151 HydrophobicContact CD1-CE2 3.76Å; L84-F151 HydrophobicContact CD2-CD2 4.5Å; L84-F151 HydrophobicContact CD2-CE2 3.54Å; L84-F151 HydrophobicContact CD2-CZ 3.97Å; L84-F151 HydrophobicContact CG-CE2 4.32Å; V107-F151 HydrophobicContact CG1-CB 4.3Å; V107-F151 HydrophobicContact CG1-CD2 3.6Å; V107-F151 HydrophobicContact CG1-CE2 4.32Å; V107-F151 HydrophobicContact CG1-CG 4.2Å; M147-F151 PolarHBondContact O-N 3.48Å; M147-F151 VanDerWaalsContact O-N 3.1Å; A148-F151 PolarHBondContact O-N 3.35Å; F151-G154 PolarHBondContact O-N 3.4Å; F151-V155 HydrophobicContact CE1-CG2 4.49Å; F151-V155 HydrophobicContact CE2-CG2 4.46Å; F151-V155 HydrophobicContact CZ-CG2 4.26Å; F151-V155 WeakPolarHBondContact O-CG2 3.42Å; F151-V155 PolarHBondContact O-N 3.44Å; F151-F340 HydrophobicContact CD2-CE2 4.47Å
152L62Low59.9Low57 Ų5769.9 Ų69.930%0.29839%0.388SS..Hα-helixtrans-68-36.2178.4-156.295.1000112.4A148 I150 G154 V155 L156 M163A148-L152 WeakPolarHBondContact O-CB 3.25Å; A148-L152 PolarHBondContact O-N 3.29Å; I150-L152 VanDerWaalsContact C-N 3.3Å; I150-L152 PolarHBondContact O-N 2.72Å; L152-G154 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 2.9Å; L152-V155 PolarHBondContact O-N 2.94Å; L152-L156 HydrophobicContact CD1-CD1 4.41Å; L152-L156 HydrophobicContact CG-CD1 4.35Å; L152-L156 PolarHBondContact O-N 3.19Å; L152-L156 VanDerWaalsContact O-N 3.08Å; L152-M163 HydrophobicContact CD2-CG 3.57Å; L152-M163 HydrophobicContact CD2-SD 4.36Å
153A60.3Low58Low35 Ų3571.9 Ų71.929%0.28940%0.397SS..Hα-helixtrans-62.1-38.2175.300000112E149 I150 V155E149-A153 WeakPolarHBondContact O-CB 3.49Å; E149-A153 PolarHBondContact O-N 2.72Å; I150-A153 WeakPolarHBondContact O-CB 3.32Å; I150-A153 PolarHBondContact O-N 3.4Å; A153-V155 VanDerWaalsContact C-N 3.31Å; A153-V155 PolarHBondContact O-N 3.01Å
154G58.8Low56.3Low49 Ų4971.7 Ų71.751%0.50541%0.412SS..Hα-helixtrans-66.1-3117500000113.7I150 F151 L152I150-G154 PolarHBondContact O-N 2.81Å; F151-G154 PolarHBondContact O-N 3.4Å; L152-G154 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 2.9Å
155V60.8Low54.9Low66 Ų6675.9 Ų75.940%0.442%0.419SS..Hα-helixtrans-84-27.4-178.7-176.90000111.9F70 F151 L152 A153F70-V155 HydrophobicContact CD2-CG2 4.43Å; F70-V155 HydrophobicContact CE2-CG2 3.4Å; F70-V155 VanDerWaalsContact CE2-CG2 3.4Å; F70-V155 HydrophobicContact CZ-CG2 3.9Å; F151-V155 HydrophobicContact CE1-CG2 4.49Å; F151-V155 HydrophobicContact CE2-CG2 4.46Å; F151-V155 HydrophobicContact CZ-CG2 4.26Å; F151-V155 WeakPolarHBondContact O-CG2 3.42Å; F151-V155 PolarHBondContact O-N 3.44Å; L152-V155 PolarHBondContact O-N 2.94Å; A153-V155 VanDerWaalsContact C-N 3.31Å; A153-V155 PolarHBondContact O-N 3.01Å
156L55.2Low53.5Low22 Ų2271.1 Ų71.112%0.11541%0.414CS..  trans-14188.6-156.9-82144.8000117.7L152 F159L152-L156 HydrophobicContact CD1-CD1 4.41Å; L152-L156 HydrophobicContact CG-CD1 4.35Å; L152-L156 PolarHBondContact O-N 3.19Å; L152-L156 VanDerWaalsContact O-N 3.08Å; L156-F159 HydrophobicContact CB-CB 3.71Å; L156-F159 HydrophobicContact CD1-CB 3.6Å; L156-F159 HydrophobicContact CD1-CD2 3.28Å; L156-F159 HydrophobicContact CD1-CE2 4.29Å; L156-F159 HydrophobicContact CD1-CG 3.81Å; L156-F159 HydrophobicContact CD2-CB 3.45Å; L156-F159 VanDerWaalsContact CD2-CB 3.45Å; L156-F159 HydrophobicContact CD2-CD2 3.25Å; L156-F159 HydrophobicContact CD2-CE2 4.37Å; L156-F159 HydrophobicContact CD2-CG 3.71Å; L156-F159 HydrophobicContact CG-CB 3.62Å; L156-F159 HydrophobicContact CG-CD2 3.72Å; L156-F159 HydrophobicContact CG-CG 4.12Å
157V42.2Very low52.2Low137 Ų13774.2 Ų74.283%0.8343%0.434SS*.SBendtrans-69.5-13.7143176.10000111.3V160V157-V160 WeakPolarHBondContact O-CG2 3.36Å
158S43.6Very low51.1Low109 Ų10975.6 Ų75.676%0.76244%0.441SS*.SBendtrans-99.5-4.4-177.5-43.80000115.9
159F49.3Very low50.5Low87 Ų8775 Ų7538%0.38244%0.439SS..  trans-12126.9-179.4-98.7-67.4000112.3L156 K161 L162L156-F159 HydrophobicContact CB-CB 3.71Å; L156-F159 HydrophobicContact CD1-CB 3.6Å; L156-F159 HydrophobicContact CD1-CD2 3.28Å; L156-F159 HydrophobicContact CD1-CE2 4.29Å; L156-F159 HydrophobicContact CD1-CG 3.81Å; L156-F159 HydrophobicContact CD2-CB 3.45Å; L156-F159 VanDerWaalsContact CD2-CB 3.45Å; L156-F159 HydrophobicContact CD2-CD2 3.25Å; L156-F159 HydrophobicContact CD2-CE2 4.37Å; L156-F159 HydrophobicContact CD2-CG 3.71Å; L156-F159 HydrophobicContact CG-CB 3.62Å; L156-F159 HydrophobicContact CG-CD2 3.72Å; L156-F159 HydrophobicContact CG-CG 4.12Å; F159-K161 PolarHBondContact O-N 3.46Å; F159-L162 HydrophobicContact CB-CB 4.36Å; F159-L162 HydrophobicContact CD1-CB 3.86Å; F159-L162 HydrophobicContact CD1-CD1 3.13Å; F159-L162 HydrophobicContact CD1-CG 3.32Å; F159-L162 HydrophobicContact CD2-CD1 4.38Å; F159-L162 HydrophobicContact CE1-CD1 3.05Å; F159-L162 HydrophobicContact CE1-CG 3.52Å; F159-L162 HydrophobicContact CE2-CD1 4.36Å; F159-L162 HydrophobicContact CG-CB 4.45Å; F159-L162 HydrophobicContact CG-CD1 3.83Å; F159-L162 HydrophobicContact CG-CG 4.27Å; F159-L162 HydrophobicContact CZ-CD1 3.72Å; F159-L162 PolarHBondContact O-N 3.25Å
160V42.7Very low50Low100 Ų10074.1 Ų74.161%0.60644%0.438SS*.THydrogen-bonded Turntrans-53.1-13.1-179.1176.20000113.6V157V157-V160 WeakPolarHBondContact O-CG2 3.36Å
161K38.1Very low49.8Very low183 Ų18374.7 Ų74.780%0.79644%0.441SS*.THydrogen-bonded Turntrans-89.2-21.5169.6-80.5-177.9174.8176.80116.8F159F159-K161 PolarHBondContact O-N 3.46Å
162L45.1Very low50.1Low85 Ų8574.5 Ų74.545%0.44544%0.442SS..THydrogen-bonded Turntrans-76.1-30.3177.8-88.9-174.5000112.8F159 A164 Y165 G166F159-L162 HydrophobicContact CB-CB 4.36Å; F159-L162 HydrophobicContact CD1-CB 3.86Å; F159-L162 HydrophobicContact CD1-CD1 3.13Å; F159-L162 HydrophobicContact CD1-CG 3.32Å; F159-L162 HydrophobicContact CD2-CD1 4.38Å; F159-L162 HydrophobicContact CE1-CD1 3.05Å; F159-L162 HydrophobicContact CE1-CG 3.52Å; F159-L162 HydrophobicContact CE2-CD1 4.36Å; F159-L162 HydrophobicContact CG-CB 4.45Å; F159-L162 HydrophobicContact CG-CD1 3.83Å; F159-L162 HydrophobicContact CG-CG 4.27Å; F159-L162 HydrophobicContact CZ-CD1 3.72Å; F159-L162 PolarHBondContact O-N 3.25Å; L162-A164 PolarHBondContact O-N 2.84Å; L162-Y165 PolarHBondContact O-N 3.47Å; L162-Y165 VanDerWaalsContact O-N 3.07Å; L162-G166 PolarHBondContact O-N 3.02Å
163M41.4Very low50.9Low80 Ų8075.2 Ų75.239%0.39444%0.441SS..THydrogen-bonded Turntrans-65-20.8177.8-75.3-158.9-74.900113.7L152 Y165L152-M163 HydrophobicContact CD2-CG 3.57Å; L152-M163 HydrophobicContact CD2-SD 4.36Å; M163-Y165 PolarHBondContact O-N 3.44Å
164A37.8Very low51.6Low83 Ų8374.1 Ų74.169%0.68643%0.429SS*.THydrogen-bonded Turntrans-69.3-16.8174.100000113.5L162L162-A164 PolarHBondContact O-N 2.84Å
165Y41.2Very low52.6Low181 Ų18175.2 Ų75.271%0.7142%0.418SS*.THydrogen-bonded Turntrans-114.1-5.8-178.9-65.1-80.9000113.3L162 M163L162-Y165 PolarHBondContact O-N 3.47Å; L162-Y165 VanDerWaalsContact O-N 3.07Å; M163-Y165 PolarHBondContact O-N 3.44Å
166G40.2Very low53.6Low44 Ų4472.2 Ų72.245%0.45440%0.4SS..  trans-101.319.5-161.300000117L162 I168L162-G166 PolarHBondContact O-N 3.02Å; G166-I168 PolarHBondContact O-N 3.06Å
167S41.6Very low54.9Low78 Ų7871.2 Ų71.255%0.54539%0.394SS..SBendtrans-62.9134157.574.40000106.6G169S167-G169 PolarHBondContact O-N 2.96Å
168I48Very low56.7Low70 Ų7066.2 Ų66.236%0.35936%0.363SS..SBendtrans-67.352.8174.9-53167.2000109.4I118 K143 G166I118-I168 HydrophobicContact CD1-CG2 4.21Å; K143-I168 VanDerWaalsContact CE-O 3.26Å; K143-I168 WeakPolarHBondContact CE-O 3.47Å; K143-I168 PolarHBondContact NZ-O 3.23Å; G166-I168 PolarHBondContact O-N 3.06Å
169G51.9Low58.4Low23 Ų2363.1 Ų63.124%0.23734%0.338CS..  trans-1147.9178.300000111.4S167 V171S167-G169 PolarHBondContact O-N 2.96Å; G169-V171 PolarHBondContact O-N 3.11Å; G169-V171 VanDerWaalsContact O-N 3.15Å
170C55Low60Low32 Ų3260.1 Ų60.122%0.21633%0.326CS..SBendtrans-56.3-29.4173.8-45.50000111.4P51 Y54P51-C170 HydrophobicContact CB-CB 4.37Å; P51-C170 HydrophobicContact CG-CB 4.18Å; P51-C170 WeakPolarHBondContact CG-O 3.42Å; Y54-C170 HydrophobicContact CD2-CB 4.1Å
171V64.1Low62Low20 Ų2056 Ų5612%0.12130%0.302CS..SBendtrans-100.6112.6175.5-172.90000109.3P51 I118 V122 G169 R173 W175 L176P51-V171 HydrophobicContact CB-CG2 3.56Å; P51-V171 HydrophobicContact CG-CG2 3.8Å; I118-V171 HydrophobicContact CG2-CG2 4.08Å; V122-V171 HydrophobicContact CG2-CG2 4.13Å; G169-V171 PolarHBondContact O-N 3.11Å; G169-V171 VanDerWaalsContact O-N 3.15Å; V171-R173 PolarHBondContact O-N 3.23Å; V171-W175 HydrophobicContact CG1-CE3 4.27Å; V171-W175 HydrophobicContact CG1-CZ3 4.4Å; V171-L176 HydrophobicContact CG1-CB 3.72Å; V171-L176 HydrophobicContact CG1-CD1 4.09Å; V171-L176 HydrophobicContact CG1-CD2 4.02Å; V171-L176 HydrophobicContact CG1-CG 4.16Å
172D72.9Confident64Low24 Ų2452.6 Ų52.613%0.12830%0.299CS..  trans-63.4119.9168.4-174.2-36.9000108.6T41 V42 R174 W175 L176T41-D172 WeakPolarHBondContact CA-OD2 3.43Å; T41-D172 WeakPolarHBondContact CB-OD2 3.05Å; T41-D172 PolarHBondContact OG1-OD2 3.48Å; V42-D172 PolarHBondContact N-OD2 2.82Å; V42-D172 VanDerWaalsContact N-OD2 3.17Å; D172-R174 PolarHBondContact O-N 2.89Å; D172-R174 WeakPolarHBondContact OD1-CB 3.4Å; D172-R174 PolarHBondContact OD1-N 3.34Å; D172-W175 HydrophobicContact CB-CB 3.89Å; D172-W175 PolarHBondContact O-N 3.45Å; D172-L176 PolarHBondContact O-N 2.93Å
173R77.9Confident65.6Low72 Ų7250.6 Ų50.627%0.27229%0.287SS..Hα-helixtrans-53.8-41.3-178.9176.9169.561.7161-1.2111.6F140 V171 W177 S205 C206F140-R173 HydrophobicContact CD1-CG 4.41Å; F140-R173 HydrophobicContact CE1-CB 3.95Å; F140-R173 HydrophobicContact CE1-CG 3.92Å; F140-R173 HydrophobicContact CE2-CG 4.09Å; F140-R173 HydrophobicContact CZ-CB 3.95Å; F140-R173 HydrophobicContact CZ-CG 3.76Å; V171-R173 PolarHBondContact O-N 3.23Å; R173-W177 PolarHBondContact O-N 3.47Å; R173-S205 PolarHBondContact NH1-O 3.31Å; R173-C206 VanDerWaalsContact CD-O 3.27Å; R173-C206 WeakPolarHBondContact CD-O 3.36Å
174R76Confident67.5Low12 Ų1248.3 Ų48.35%0.04528%0.279CS..Hα-helixtrans-70.3-45.1-178.3-169.5174.9-174.3167.43.3110.6A8 H10 D172 L176 W177 D178 M183A8-R174 PolarHBondContact O-NH2 3.45Å; H10-R174 PolarHBondContact O-NH1 3.29Å; H10-R174 PolarHBondContact O-NH2 2.99Å; H10-R174 VanDerWaalsContact O-NH2 3.11Å; D172-R174 PolarHBondContact O-N 2.89Å; D172-R174 WeakPolarHBondContact OD1-CB 3.4Å; D172-R174 PolarHBondContact OD1-N 3.34Å; R174-L176 PolarHBondContact O-N 2.88Å; R174-W177 PolarHBondContact O-N 3.31Å; R174-D178 WeakPolarHBondContact O-CB 3.21Å; R174-D178 PolarHBondContact O-N 2.95Å; R174-M183 PolarHBondContact NH2-SD 3.31Å
175W79.7Confident69.4Low71 Ų7153.7 Ų53.727%0.26929%0.289SS..Hα-helixtrans-58.1-45.3177.3176.485.7000112.2P47 R48 V122 V171 D172 D178 D179P47-W175 HydrophobicContact CB-CD2 4.28Å; P47-W175 HydrophobicContact CB-CH2 4.49Å; P47-W175 HydrophobicContact CB-CZ2 3.94Å; P47-W175 HydrophobicContact CG-CZ2 4.06Å; R48-W175 HydrophobicContact CG-CH2 3.57Å; R48-W175 HydrophobicContact CG-CZ2 3.72Å; V122-W175 HydrophobicContact CG1-CH2 4.32Å; V122-W175 HydrophobicContact CG2-CZ3 4.39Å; V171-W175 HydrophobicContact CG1-CE3 4.27Å; V171-W175 HydrophobicContact CG1-CZ3 4.4Å; D172-W175 HydrophobicContact CB-CB 3.89Å; D172-W175 PolarHBondContact O-N 3.45Å; W175-D178 PolarHBondContact O-N 2.95Å; W175-D179 PolarHBondContact O-N 2.9Å
176L80.8Confident71.1Confident4 Ų447.4 Ų47.42%0.02127%0.268CS..Hα-helixtrans-63.3-46.7178.9-172.869.3000111.8L121 V122 L139 F140 V171 D172 R174 D178 D179 I180L121-L176 HydrophobicContact CB-CD1 3.97Å; L121-L176 HydrophobicContact CD1-CD2 4.13Å; V122-L176 HydrophobicContact CG2-CD1 4.16Å; L139-L176 HydrophobicContact CD2-CD2 4.45Å; F140-L176 HydrophobicContact CE2-CD2 4.04Å; F140-L176 HydrophobicContact CZ-CD2 3.9Å; V171-L176 HydrophobicContact CG1-CB 3.72Å; V171-L176 HydrophobicContact CG1-CD1 4.09Å; V171-L176 HydrophobicContact CG1-CD2 4.02Å; V171-L176 HydrophobicContact CG1-CG 4.16Å; D172-L176 PolarHBondContact O-N 2.93Å; R174-L176 PolarHBondContact O-N 2.88Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.4Å; L176-D179 PolarHBondContact O-N 3.23Å; L176-I180 HydrophobicContact CG-CD1 4.16Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 2.87Å
177W83.5Confident72.8Confident0 Ų057.5 Ų57.50%029%0.292CS..Hα-helixtrans-68.1-32.1179.1-83.6105.2000112E133 A136 F140 R173 R174 D179 I180 A181 C206 C207 R220 C221E133-W177 HydrophobicContact CB-CH2 4.46Å; E133-W177 HydrophobicContact CB-CZ3 4.45Å; E133-W177 HydrophobicContact CG-CZ3 4.22Å; A136-W177 HydrophobicContact CB-CH2 3.92Å; A136-W177 HydrophobicContact CB-CZ2 3.59Å; F140-W177 AromaticContact CD2-NE1 3.49Å; F140-W177 AromaticContact CE2-CD1 3.71Å; F140-W177 AromaticContact CE2-NE1 3.24Å; R173-W177 PolarHBondContact O-N 3.47Å; R174-W177 PolarHBondContact O-N 3.31Å; W177-D179 PolarHBondContact O-N 3.18Å; W177-I180 HydrophobicContact CE3-CB 4.36Å; W177-I180 HydrophobicContact CE3-CG2 4.32Å; W177-I180 HydrophobicContact CZ3-CG2 4.27Å; W177-I180 PolarHBondContact O-N 2.96Å; W177-I180 VanDerWaalsContact O-N 3.07Å; W177-A181 PolarHBondContact O-N 2.95Å; W177-C206 PolarHBondContact NE1-O 3.35Å; W177-C206 VanDerWaalsContact NE1-O 3.17Å; W177-C207 HydrophobicContact CB-CB 4.36Å; W177-C207 HydrophobicContact CD2-CB 3.5Å; W177-C207 VanDerWaalsContact CD2-CB 3.5Å; W177-C207 HydrophobicContact CE3-CB 4.1Å; W177-C207 HydrophobicContact CG-CB 3.6Å; W177-C207 HydrophobicContact CZ2-CB 4.2Å; W177-R220 VanDerWaalsContact CB-CZ 3.41Å; W177-R220 HydrophobicContact CE3-CG 4.35Å; W177-R220 PolarHBondContact O-NH2 2.88Å; W177-C221 HydrophobicContact CE3-CB 4.39Å; W177-C221 HydrophobicContact CH2-CB 3.34Å; W177-C221 HydrophobicContact CZ2-CB 3.71Å; W177-C221 HydrophobicContact CZ3-CB 3.7Å
178D79.8Confident74.6Confident33 Ų3357.3 Ų57.318%0.17628%0.283CS..Hα-helixtrans-64.7-25.4176.8-72.7-10.8000111.3R174 W175 L176 R220R174-D178 WeakPolarHBondContact O-CB 3.21Å; R174-D178 PolarHBondContact O-N 2.95Å; W175-D178 PolarHBondContact O-N 2.95Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.4Å; D178-R220 IonicContact OD1-CZ 3.52Å; D178-R220 IonicContact OD1-NH1 3.54Å; D178-R220 IonicContact OD1-NH2 3.81Å; D178-R220 PolarHBondContact OD1-NH2 2.95Å
179D80.2Confident76.2Confident44 Ų4459.4 Ų59.424%0.23530%0.301CS..Hα-helixtrans-82.6-21.8172-153.346.5000113.1R48 R124 W175 L176 W177R48-D179 IonicContact NH2-OD1 3.84Å; R48-D179 IonicContact NH2-OD2 2.66Å; R124-D179 IonicContact CZ-OD1 2.74Å; R124-D179 IonicContact CZ-OD2 2.76Å; R124-D179 IonicContact NE-OD1 3.73Å; R124-D179 PolarHBondContact NE-OD1 3.39Å; R124-D179 IonicContact NE-OD2 3.99Å; R124-D179 PolarHBondContact NE-OD2 3.46Å; R124-D179 VanDerWaalsContact NE-OD2 3.1Å; R124-D179 IonicContact NH2-OD1 2.76Å; R124-D179 PolarHBondContact NH2-OD1 3.49Å; R124-D179 IonicContact NH2-OD2 3.13Å; W175-D179 PolarHBondContact O-N 2.9Å; L176-D179 PolarHBondContact O-N 3.23Å; W177-D179 PolarHBondContact O-N 3.18Å
180I82.4Confident77.8Confident24 Ų2460.2 Ų60.212%0.12330%0.3CS..Hα-helixtrans-90.7-51.4-178.3-63.7168.1000112L121 K132 E133 A136 L176 W177L121-I180 HydrophobicContact CD2-CD1 4.2Å; K132-I180 HydrophobicContact CB-CG2 4.07Å; E133-I180 HydrophobicContact CG-CG2 3.99Å; A136-I180 HydrophobicContact CB-CD1 3.66Å; L176-I180 HydrophobicContact CG-CD1 4.16Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 2.87Å; W177-I180 HydrophobicContact CE3-CB 4.36Å; W177-I180 HydrophobicContact CE3-CG2 4.32Å; W177-I180 HydrophobicContact CZ3-CG2 4.27Å; W177-I180 PolarHBondContact O-N 2.96Å; W177-I180 VanDerWaalsContact O-N 3.07Å
181A83.3Confident79.4Confident12 Ų1265.4 Ų65.410%0.09932%0.318CS..SBendtrans-150.5136.7-175.500000110.8W177 R220W177-A181 PolarHBondContact O-N 2.95Å; A181-R220 HydrophobicContact CB-CG 4.05Å; A181-R220 PolarHBondContact O-NE 3.43Å; A181-R220 PolarHBondContact O-NH2 3.45Å
182P80.7Confident80.5Confident113 Ų11367.5 Ų67.573%0.73433%0.333SS*.PPolyproline II helixtrans-62.5155.2-178.826.8-34.3000112.2
183M78.4Confident81.1Confident42 Ų4268.7 Ų68.721%0.20735%0.351CS..PPolyproline II helixtrans-69.2136.9176.3-163.4166.5179.200109.7A8 R174 I210A8-M183 HydrophobicContact CB-SD 4.05Å; R174-M183 PolarHBondContact NH2-SD 3.31Å; M183-I210 HydrophobicContact CE-CB 4.11Å; M183-I210 HydrophobicContact CE-CD1 4.09Å; M183-I210 HydrophobicContact CE-CG1 3.81Å
184P81.8Confident81.6Confident33 Ų3367.7 Ų67.721%0.21435%0.352CS..PPolyproline II helixtrans-64.4140.4179.824.1-31.8000111.2A209 L211 P219P184-A209 HydrophobicContact CG-CB 3.83Å; P184-L211 HydrophobicContact CB-CD2 4.5Å; P184-L211 HydrophobicContact CG-CD2 3.77Å; P184-P219 HydrophobicContact CB-CG 3.81Å; P184-P219 HydrophobicContact CG-CG 4.13Å
185E77Confident82.2Confident195 Ų19568.1 Ų68.191%0.91136%0.356SS*.PPolyproline II helixtrans-73.4128.2178-68-174.1170.700111
186L78.7Confident82.5Confident49 Ų4964.7 Ų64.726%0.25734%0.343SS..PPolyproline II helixtrans-97.2123.7175.1-72.4163.4000109.8Q188 L190 L201 I210 P212L186-Q188 VanDerWaalsContact C-N 3.27Å; L186-Q188 PolarHBondContact O-N 3.33Å; L186-L190 HydrophobicContact CD1-CD1 4.2Å; L186-L190 HydrophobicContact CD1-CD2 4.22Å; L186-L201 HydrophobicContact CD2-CD2 4.14Å; L186-I210 HydrophobicContact CD1-CB 3.69Å; L186-I210 HydrophobicContact CD1-CG2 3.46Å; L186-I210 VanDerWaalsContact CD1-CG2 3.46Å; L186-P212 HydrophobicContact CD2-CG 4.29Å
187R74.1Confident82.8Confident257 Ų25768.9 Ų68.997%0.9737%0.365SS*.SBendtrans-74.3-15.7178.4-64.1-176.7-175175.61.8113.7
188Q80.8Confident83Confident74 Ų7479 Ų7935%0.34640%0.403SS..SBendtrans-99.4141.8-176.865.5176.540.100112.9L186 Q199 L201L186-Q188 VanDerWaalsContact C-N 3.27Å; L186-Q188 PolarHBondContact O-N 3.33Å; Q188-Q199 PolarHBondContact NE2-O 2.63Å; Q188-L201 HydrophobicContact CG-CD2 4.41Å
189P81.3Confident83.5Confident114 Ų11478.8 Ų78.874%0.7440%0.401SS*.PPolyproline II helixtrans-67.1134.1174.727.9-33.7000110.7
190L85.3Confident83.9Confident40 Ų4078.2 Ų78.221%0.20941%0.405CS..PPolyproline II helixtrans-92.5134.9-178.5-65.4-177.5000111.1H10 L19 L186 P192 L201 I210H10-L190 HydrophobicContact CB-CD1 3.94Å; L19-L190 HydrophobicContact CD2-CB 3.68Å; L19-L190 HydrophobicContact CD2-CD1 4.49Å; L19-L190 HydrophobicContact CD2-CD2 4.35Å; L19-L190 HydrophobicContact CD2-CG 4.41Å; L186-L190 HydrophobicContact CD1-CD1 4.2Å; L186-L190 HydrophobicContact CD1-CD2 4.22Å; L190-P192 WeakPolarHBondContact O-CD 3.34Å; L190-L201 HydrophobicContact CD2-CD1 3.29Å; L190-L201 HydrophobicContact CD2-CD2 4.41Å; L190-L201 HydrophobicContact CD2-CG 4.45Å; L190-I210 HydrophobicContact CD1-CD1 4.43Å
191K88Confident84.2Confident140 Ų14077 Ų7761%0.60940%0.399SS*.  trans-111101.5177.9-64.5-176.5-177.9179.80110.9V194 Q199K191-V194 HydrophobicContact CB-CG2 4.24Å; K191-V194 PolarHBondContact O-N 3.28Å; K191-Q199 PolarHBondContact O-NE2 3.43Å
192P87.2Confident84.5Confident65 Ų6576.8 Ų76.842%0.42240%0.396SS..THydrogen-bonded Turntrans-56.3149.9174.3-2434.2000112L19 A21 L190 V194L19-P192 CarbonylContact O-C 3.54Å; L19-P192 WeakPolarHBondContact O-CA 3.26Å; A21-P192 HydrophobicContact CB-CB 4.17Å; A21-P192 HydrophobicContact CB-CG 3.94Å; L190-P192 WeakPolarHBondContact O-CD 3.34Å; P192-V194 PolarHBondContact O-N 2.93Å
193G85.9Confident84.8Confident49 Ų4972.9 Ų72.951%0.50537%0.371SS..THydrogen-bonded Turntrans82.4-15.8-177.500000114.6L19L19-G193 PolarHBondContact O-N 3.47Å
194V89.3Confident85.2Confident51 Ų5170.9 Ų70.931%0.30936%0.362SS..SBendtrans-95.4140.9173.1-173.90000109.6L19 K191 P192 R198 Q199L19-V194 WeakPolarHBondContact CB-O 3.04Å; L19-V194 PolarHBondContact N-O 2.89Å; L19-V194 VanDerWaalsContact N-O 3.15Å; K191-V194 HydrophobicContact CB-CG2 4.24Å; K191-V194 PolarHBondContact O-N 3.28Å; P192-V194 PolarHBondContact O-N 2.93Å; V194-R198 HydrophobicContact CG1-CB 3.73Å; V194-Q199 HydrophobicContact CB-CG 4.18Å; V194-Q199 HydrophobicContact CG1-CG 3.83Å; V194-Q199 PolarHBondContact O-NE2 3.14Å
195T88.1Confident85.1Confident20 Ų2073.3 Ų73.312%0.12338%0.379CS..BIsolated β-bridgetrans-66.1149.7177.457.10000111.8D17 I197 R198 Q199D17-T195 CarbonylContact O-C 3.58Å; D17-T195 WeakPolarHBondContact O-CA 3.22Å; T195-I197 VanDerWaalsContact C-N 3.3Å; T195-I197 PolarHBondContact O-N 3.3Å; T195-I197 WeakPolarHBondContact OG1-CG2 3.5Å; T195-R198 PolarHBondContact O-N 2.91Å; T195-R198 WeakPolarHBondContact OG1-CG 3.4Å; T195-Q199 PolarHBondContact O-N 2.82Å
196G86.6Confident85.4Confident0 Ų064.3 Ų64.30%034%0.338CS..THydrogen-bonded Turntrans-57.3-43.8179.300000112.2D17 R198 Q199 G200 L201D17-G196 PolarHBondContact O-N 3.49Å; D17-G196 PolarHBondContact OD2-N 2.93Å; G196-R198 VanDerWaalsContact C-N 3.25Å; G196-R198 PolarHBondContact O-N 3.2Å; G196-Q199 CarbonylContact O-C 3.47Å; G196-Q199 WeakPolarHBondContact O-CA 3.17Å; G196-Q199 PolarHBondContact O-N 3.22Å; G196-G200 PolarHBondContact O-N 2.96Å; G196-G200 VanDerWaalsContact O-N 3.11Å; G196-L201 CarbonylContact C-O 3.4Å; G196-L201 VanDerWaalsContact C-O 3.28Å; G196-L201 PolarHBondContact O-N 3.19Å
197I86.6Confident85.7Confident91 Ų9162 Ų6247%0.46733%0.326SS..G310 helixtrans-57.8-36178.4-164.7162000112.9D17 T195 Q199 G200 V227D17-I197 WeakPolarHBondContact OD2-CB 3.24Å; D17-I197 WeakPolarHBondContact OD2-CG2 3.45Å; D17-I197 PolarHBondContact OD2-N 3.11Å; T195-I197 VanDerWaalsContact C-N 3.3Å; T195-I197 PolarHBondContact O-N 3.3Å; T195-I197 WeakPolarHBondContact OG1-CG2 3.5Å; I197-Q199 VanDerWaalsContact C-N 3.26Å; I197-Q199 PolarHBondContact O-N 3.38Å; I197-G200 PolarHBondContact O-N 3.17Å; I197-V227 HydrophobicContact CB-CG1 4.21Å; I197-V227 HydrophobicContact CD1-CG1 3.74Å; I197-V227 HydrophobicContact CG1-CG1 3.76Å
198R88.4Confident86.2Confident213 Ų21350.3 Ų50.380%0.80428%0.283SS*.G310 helixtrans-75.6-17.3177.1-77.9-173.9178.7-168.81.1112.7V194 T195 G196V194-R198 HydrophobicContact CG1-CB 3.73Å; T195-R198 PolarHBondContact O-N 2.91Å; T195-R198 WeakPolarHBondContact OG1-CG 3.4Å; G196-R198 VanDerWaalsContact C-N 3.25Å; G196-R198 PolarHBondContact O-N 3.2Å
199Q89.8Confident86.4Confident28 Ų2846.8 Ų46.813%0.13127%0.266CS..G310 helixtrans-101.35.7177.1-61.9-17773.200112.4Q188 K191 V194 T195 G196 I197 L201Q188-Q199 PolarHBondContact NE2-O 2.63Å; K191-Q199 PolarHBondContact O-NE2 3.43Å; V194-Q199 HydrophobicContact CB-CG 4.18Å; V194-Q199 HydrophobicContact CG1-CG 3.83Å; V194-Q199 PolarHBondContact O-NE2 3.14Å; T195-Q199 PolarHBondContact O-N 2.82Å; G196-Q199 CarbonylContact O-C 3.47Å; G196-Q199 WeakPolarHBondContact O-CA 3.17Å; G196-Q199 PolarHBondContact O-N 3.22Å; I197-Q199 VanDerWaalsContact C-N 3.26Å; I197-Q199 PolarHBondContact O-N 3.38Å; Q199-L201 VanDerWaalsContact C-N 3.32Å; Q199-L201 HydrophobicContact CB-CD1 3.84Å; Q199-L201 HydrophobicContact CB-CG 4.09Å
200G88.6Confident86.7Confident32 Ų3241.5 Ų41.533%0.3323%0.232SC..THydrogen-bonded Turntrans65.435.5-174.100000112.7G196 I197 P212 A213G196-G200 PolarHBondContact O-N 2.96Å; G196-G200 VanDerWaalsContact O-N 3.11Å; I197-G200 PolarHBondContact O-N 3.17Å; G200-P212 CarbonylContact O-C 3.59Å; G200-A213 VanDerWaalsContact O-CB 3.27Å; G200-A213 WeakPolarHBondContact O-CB 3.37Å; G200-A213 PolarHBondContact O-N 2.86Å
201L89.3Confident86.9Confident0 Ų039.6 Ų39.60%022%0.222CC..EExtended strand (participates in β ladder)trans-118.5158.2-179.9-63.9169.3000111.7L186 Q188 L190 G196 Q199 I210 L211L186-L201 HydrophobicContact CD2-CD2 4.14Å; Q188-L201 HydrophobicContact CG-CD2 4.41Å; L190-L201 HydrophobicContact CD2-CD1 3.29Å; L190-L201 HydrophobicContact CD2-CD2 4.41Å; L190-L201 HydrophobicContact CD2-CG 4.45Å; G196-L201 CarbonylContact C-O 3.4Å; G196-L201 VanDerWaalsContact C-O 3.28Å; G196-L201 PolarHBondContact O-N 3.19Å; Q199-L201 VanDerWaalsContact C-N 3.32Å; Q199-L201 HydrophobicContact CB-CD1 3.84Å; Q199-L201 HydrophobicContact CB-CG 4.09Å; L201-I210 HydrophobicContact CB-CG2 4.32Å; L201-I210 HydrophobicContact CD1-CG2 4.08Å; L201-I210 HydrophobicContact CD2-CG2 3.92Å; L201-I210 HydrophobicContact CG-CG2 4.33Å; L201-L211 CarbonylContact C-O 3.54Å; L201-L211 VanDerWaalsContact CA-O 3.29Å; L201-L211 WeakPolarHBondContact CA-O 3.37Å
202R88.3Confident86.9Confident6 Ų634.7 Ų34.72%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-138.8158167.167.3-178.6-169.384.3-3.9111L211 E215 P216 V227R202-L211 HydrophobicContact CG-CB 3.98Å; R202-L211 PolarHBondContact N-O 2.96Å; R202-L211 VanDerWaalsContact NH2-CD1 3.33Å; R202-L211 PolarHBondContact O-N 3.41Å; R202-E215 PolarHBondContact NE-O 3.38Å; R202-E215 PolarHBondContact NH2-O 3.43Å; R202-P216 PolarHBondContact NH2-O 2.95Å; R202-V227 HydrophobicContact CB-CG2 4.1Å
203S87Confident86.8Confident31 Ų3133.3 Ų33.322%0.21720%0.199CC..EExtended strand (participates in β ladder)trans-96.7139.3169.3-170.90000110.4S205S203-S205 PolarHBondContact O-N 3.43Å
204C86.3Confident86.8Confident1 Ų137.6 Ų37.61%0.00721%0.21CC..  trans-71.4127.1170.2-175.50000111C206 T208 A209 L211 C218 C221C204-C206 PolarHBondContact O-N 2.87Å; C204-C206 PolarHBondContact SG-N 3.07Å; C204-T208 WeakPolarHBondContact O-CA 3.26Å; C204-T208 PolarHBondContact O-N 3.49Å; C204-A209 HydrophobicContact CB-CB 4.24Å; C204-A209 PolarHBondContact N-O 2.87Å; C204-L211 HydrophobicContact CB-CD1 4Å; C204-C218 HydrophobicContact CB-CB 4.34Å; C204-C221 PolarHBondContact SG-SG 2.93Å
205S80.8Confident86.7Confident84 Ų8438.3 Ų38.359%0.58721%0.21SC*.THydrogen-bonded Turntrans-65.2-21.6178.2560000114.1R173 S203R173-S205 PolarHBondContact NH1-O 3.31Å; S203-S205 PolarHBondContact O-N 3.43Å
206C83.6Confident86.5Confident6 Ų640.4 Ų40.44%0.04122%0.224CC..THydrogen-bonded Turntrans-96.7-42.6-178179.20000113.4R173 W177 C204 T223R173-C206 VanDerWaalsContact CD-O 3.27Å; R173-C206 WeakPolarHBondContact CD-O 3.36Å; W177-C206 PolarHBondContact NE1-O 3.35Å; W177-C206 VanDerWaalsContact NE1-O 3.17Å; C204-C206 PolarHBondContact O-N 2.87Å; C204-C206 PolarHBondContact SG-N 3.07Å; C206-T223 HydrophobicContact CB-CG2 4.15Å; C206-T223 VanDerWaalsContact CB-OG1 3.23Å; C206-T223 WeakPolarHBondContact CB-OG1 3.28Å
207C84.4Confident86.6Confident0 Ų043.4 Ų43.40%024%0.242CC..THydrogen-bonded Turntrans-126.37.9-170.570.20000115.9W177 A209 C218 R220 C221W177-C207 HydrophobicContact CB-CB 4.36Å; W177-C207 HydrophobicContact CD2-CB 3.5Å; W177-C207 VanDerWaalsContact CD2-CB 3.5Å; W177-C207 HydrophobicContact CE3-CB 4.1Å; W177-C207 HydrophobicContact CG-CB 3.6Å; W177-C207 HydrophobicContact CZ2-CB 4.2Å; C207-A209 PolarHBondContact O-N 2.83Å; C207-C218 PolarHBondContact SG-SG 2.96Å; C207-R220 PolarHBondContact O-NH1 3.3Å; C207-R220 VanDerWaalsContact O-NH1 3.14Å; C207-C221 HydrophobicContact CB-CB 3.85Å; C207-C221 PolarHBondContact SG-SG 3.36Å
208T84.1Confident86.6Confident12 Ų1239 Ų397%0.07422%0.22CC..  trans55.112.2-178.256.10000117.1C204 I210C204-T208 WeakPolarHBondContact O-CA 3.26Å; C204-T208 PolarHBondContact O-N 3.49Å; T208-I210 PolarHBondContact O-N 3.49Å
209A85.6Confident86.6Confident0 Ų032.5 Ų32.50%020%0.204CC..  trans-56.3131.6170.300000109.8P184 C204 C207 L211 R220P184-A209 HydrophobicContact CG-CB 3.83Å; C204-A209 HydrophobicContact CB-CB 4.24Å; C204-A209 PolarHBondContact N-O 2.87Å; C207-A209 PolarHBondContact O-N 2.83Å; A209-L211 HydrophobicContact CB-CD2 4.38Å; A209-L211 HydrophobicContact CB-CG 4.31Å; A209-R220 HydrophobicContact CB-CB 4.48Å
210I88.2Confident86.4Confident2 Ų231.4 Ų31.41%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-80.9126.9170.5-58.4171000106.1H10 L12 L19 M183 L186 L190 L201 T208H10-I210 HydrophobicContact CB-CD1 4.4Å; L12-I210 HydrophobicContact CB-CG1 4.31Å; L19-I210 HydrophobicContact CD1-CD1 3.82Å; M183-I210 HydrophobicContact CE-CB 4.11Å; M183-I210 HydrophobicContact CE-CD1 4.09Å; M183-I210 HydrophobicContact CE-CG1 3.81Å; L186-I210 HydrophobicContact CD1-CB 3.69Å; L186-I210 HydrophobicContact CD1-CG2 3.46Å; L186-I210 VanDerWaalsContact CD1-CG2 3.46Å; L190-I210 HydrophobicContact CD1-CD1 4.43Å; L201-I210 HydrophobicContact CB-CG2 4.32Å; L201-I210 HydrophobicContact CD1-CG2 4.08Å; L201-I210 HydrophobicContact CD2-CG2 3.92Å; L201-I210 HydrophobicContact CG-CG2 4.33Å; T208-I210 PolarHBondContact O-N 3.49Å
211L87.8Confident86.3Confident1 Ų129.9 Ų29.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-131.3153.2-173-61.9164.8000109.6P184 L201 R202 C204 A209 C218 P219P184-L211 HydrophobicContact CB-CD2 4.5Å; P184-L211 HydrophobicContact CG-CD2 3.77Å; L201-L211 CarbonylContact C-O 3.54Å; L201-L211 VanDerWaalsContact CA-O 3.29Å; L201-L211 WeakPolarHBondContact CA-O 3.37Å; R202-L211 HydrophobicContact CG-CB 3.98Å; R202-L211 PolarHBondContact N-O 2.96Å; R202-L211 VanDerWaalsContact NH2-CD1 3.33Å; R202-L211 PolarHBondContact O-N 3.41Å; C204-L211 HydrophobicContact CB-CD1 4Å; A209-L211 HydrophobicContact CB-CD2 4.38Å; A209-L211 HydrophobicContact CB-CG 4.31Å; L211-C218 HydrophobicContact CD1-CB 3.75Å; L211-P219 VanDerWaalsContact CD2-CD 3.46Å; L211-P219 HydrophobicContact CD2-CG 3.96Å
212P88.1Confident86.2Confident37 Ų3732.7 Ų32.724%0.2420%0.203CC..EExtended strand (participates in β ladder)trans-54.6144.2165.2-23.535.6000111.8L186 G200 D214 E215L186-P212 HydrophobicContact CD2-CG 4.29Å; G200-P212 CarbonylContact O-C 3.59Å; P212-D214 WeakPolarHBondContact CB-OD1 3.01Å; P212-D214 PolarHBondContact O-N 3.29Å; P212-E215 HydrophobicContact CB-CB 4.32Å; P212-E215 WeakPolarHBondContact CD-OE2 3.39Å; P212-E215 PolarHBondContact O-N 2.84Å
213A86Confident86Confident36 Ų3633.2 Ų33.230%0.29821%0.207SC..THydrogen-bonded Turntrans-62.2-29.6-17800000113.1G200 V227G200-A213 VanDerWaalsContact O-CB 3.27Å; G200-A213 WeakPolarHBondContact O-CB 3.37Å; G200-A213 PolarHBondContact O-N 2.86Å; A213-V227 HydrophobicContact CB-CG2 3.47Å; A213-V227 VanDerWaalsContact CB-CG2 3.47Å; A213-V227 WeakPolarHBondContact O-CG2 3.43Å
214D85.8Confident86Confident138 Ų13839.3 Ų39.374%0.73823%0.23SC*.THydrogen-bonded Turntrans-84.2-15.8-179.160.8-39.9000113.7P212 P216P212-D214 WeakPolarHBondContact CB-OD1 3.01Å; P212-D214 PolarHBondContact O-N 3.29Å; D214-P216 WeakPolarHBondContact O-CD 3.29Å
215E86.4Confident85.8Confident66 Ų6640 Ų4031%0.30824%0.236SC..  trans-85.3107.3178.4-173.1174.7-164.400110.1R202 P212 V217R202-E215 PolarHBondContact NE-O 3.38Å; R202-E215 PolarHBondContact NH2-O 3.43Å; P212-E215 HydrophobicContact CB-CB 4.32Å; P212-E215 WeakPolarHBondContact CD-OE2 3.39Å; P212-E215 PolarHBondContact O-N 2.84Å; E215-V217 WeakPolarHBondContact CG-O 3.19Å
216P84.8Confident85.9Confident65 Ų6543.8 Ų43.842%0.42224%0.239SC..  trans-82.8-22.6-172.731.8-33.8000113.6R202 D214 K224 G225R202-P216 PolarHBondContact NH2-O 2.95Å; D214-P216 WeakPolarHBondContact O-CD 3.29Å; P216-K224 CarbonylContact O-C 3.56Å; P216-K224 VanDerWaalsContact O-CA 3.3Å; P216-K224 WeakPolarHBondContact O-CA 3.33Å; P216-G225 PolarHBondContact O-N 2.95Å
217V89.3Confident85.6Confident62 Ų6246.1 Ų46.138%0.37625%0.253SS..BIsolated β-bridgetrans-107.4126.9-178.3-174.20000108.7E215 P219 K224E215-V217 WeakPolarHBondContact CG-O 3.19Å; V217-P219 WeakPolarHBondContact O-CD 3.49Å; V217-K224 HydrophobicContact CG2-CG 4.21Å
218C86.9Confident85.3Confident0 Ų055.7 Ų55.70%029%0.289CS..  trans-71.2122.9175.3179.80000110.9C204 C207 L211 R220 S222 T223C204-C218 HydrophobicContact CB-CB 4.34Å; C207-C218 PolarHBondContact SG-SG 2.96Å; L211-C218 HydrophobicContact CD1-CB 3.75Å; C218-R220 PolarHBondContact O-N 3.47Å; C218-R220 PolarHBondContact SG-N 3.43Å; C218-S222 WeakPolarHBondContact O-CA 3.3Å; C218-S222 PolarHBondContact O-N 3.46Å; C218-T223 PolarHBondContact N-O 2.86Å
219P86.9Confident84.9Confident75 Ų7564.9 Ų64.949%0.48732%0.322SS..THydrogen-bonded Turntrans-65.4-25.3177.426.4-35000112.8P184 L211 V217P184-P219 HydrophobicContact CB-CG 3.81Å; P184-P219 HydrophobicContact CG-CG 4.13Å; L211-P219 VanDerWaalsContact CD2-CD 3.46Å; L211-P219 HydrophobicContact CD2-CG 3.96Å; V217-P219 WeakPolarHBondContact O-CD 3.49Å
220R87.1Confident84.4Confident6 Ų675.3 Ų75.32%0.02336%0.362CS..THydrogen-bonded Turntrans-79.6-40.4-178.1-173.2-177.6-171.1-178.820.7114.2W177 D178 A181 C207 A209 C218W177-R220 VanDerWaalsContact CB-CZ 3.41Å; W177-R220 HydrophobicContact CE3-CG 4.35Å; W177-R220 PolarHBondContact O-NH2 2.88Å; D178-R220 IonicContact OD1-CZ 3.52Å; D178-R220 IonicContact OD1-NH1 3.54Å; D178-R220 IonicContact OD1-NH2 3.81Å; D178-R220 PolarHBondContact OD1-NH2 2.95Å; A181-R220 HydrophobicContact CB-CG 4.05Å; A181-R220 PolarHBondContact O-NE 3.43Å; A181-R220 PolarHBondContact O-NH2 3.45Å; C207-R220 PolarHBondContact O-NH1 3.3Å; C207-R220 VanDerWaalsContact O-NH1 3.14Å; A209-R220 HydrophobicContact CB-CB 4.48Å; C218-R220 PolarHBondContact O-N 3.47Å; C218-R220 PolarHBondContact SG-N 3.43Å
221C86Confident84.1Confident0 Ų080.2 Ų80.20%039%0.388CS..THydrogen-bonded Turntrans-129.76.1-172.574.30000113.3R137 W177 C204 C207 T223R137-C221 PolarHBondContact NE-O 2.92Å; R137-C221 PolarHBondContact NH2-O 3.31Å; W177-C221 HydrophobicContact CE3-CB 4.39Å; W177-C221 HydrophobicContact CH2-CB 3.34Å; W177-C221 HydrophobicContact CZ2-CB 3.71Å; W177-C221 HydrophobicContact CZ3-CB 3.7Å; C204-C221 PolarHBondContact SG-SG 2.93Å; C207-C221 HydrophobicContact CB-CB 3.85Å; C207-C221 PolarHBondContact SG-SG 3.36Å; C221-T223 PolarHBondContact O-N 3.33Å; C221-T223 PolarHBondContact O-OG1 3.26Å; C221-T223 VanDerWaalsContact SG-CB 3.6Å; C221-T223 PolarHBondContact SG-OG1 2.95Å
222S85.7Confident84Confident58 Ų5882.6 Ų82.641%0.40640%0.404SS..  trans5115.7-177.1-14.90000116.5R137 C218R137-S222 PolarHBondContact NH2-OG 2.87Å; R137-S222 VanDerWaalsContact NH2-OG 3.09Å; C218-S222 WeakPolarHBondContact O-CA 3.3Å; C218-S222 PolarHBondContact O-N 3.46Å
223T85.2Confident83.9Confident17 Ų1784 Ų8410%0.10441%0.41CS..  trans-74.8128.4176.6-55.40000110.3C206 C218 C221C206-T223 HydrophobicContact CB-CG2 4.15Å; C206-T223 VanDerWaalsContact CB-OG1 3.23Å; C206-T223 WeakPolarHBondContact CB-OG1 3.28Å; C218-T223 PolarHBondContact N-O 2.86Å; C221-T223 PolarHBondContact O-N 3.33Å; C221-T223 PolarHBondContact O-OG1 3.26Å; C221-T223 VanDerWaalsContact SG-CB 3.6Å; C221-T223 PolarHBondContact SG-OG1 2.95Å
224K87.2Confident84.1Confident160 Ų16088.5 Ų88.570%0.69643%0.425SS*.BIsolated β-bridgetrans-74131.1171.9-65.5-175.2-179.4179.30110P216 V217P216-K224 CarbonylContact O-C 3.56Å; P216-K224 VanDerWaalsContact O-CA 3.3Å; P216-K224 WeakPolarHBondContact O-CA 3.33Å; V217-K224 HydrophobicContact CG2-CG 4.21Å
225G81.9Confident84.3Confident14 Ų1490.2 Ų90.214%0.14442%0.421CS..  trans-154.5154.4179.100000111.8P216P216-G225 PolarHBondContact O-N 2.95Å
226Y81.8Confident84.5Confident164 Ų16489.8 Ų89.864%0.64342%0.423SS*.  trans-122.8155177.9-55.4-80.8000109R228Y226-R228 VanDerWaalsContact C-N 3.31Å; Y226-R228 PolarHBondContact O-N 3.06Å
227V79Confident84.8Confident55 Ų5590.4 Ų90.433%0.33342%0.422SS..SBendtrans-55.8-46.9176.2-176.60000111.1I197 R202 A213I197-V227 HydrophobicContact CB-CG1 4.21Å; I197-V227 HydrophobicContact CD1-CG1 3.74Å; I197-V227 HydrophobicContact CG1-CG1 3.76Å; R202-V227 HydrophobicContact CB-CG2 4.1Å; A213-V227 HydrophobicContact CB-CG2 3.47Å; A213-V227 VanDerWaalsContact CB-CG2 3.47Å; A213-V227 WeakPolarHBondContact O-CG2 3.43Å
228R77.7Confident85Confident202 Ų20289.8 Ų89.876%0.76242%0.424SS*.SBendtrans-139.1130.7174-147.9174.7-160.9-177.33.3108.4Y226 R230Y226-R228 VanDerWaalsContact C-N 3.31Å; Y226-R228 PolarHBondContact O-N 3.06Å; R228-R230 PolarHBondContact O-N 3.42Å
229R75.4Confident85.2Confident205 Ų20595.5 Ų95.577%0.77445%0.453SS*.  trans-63.4128178-67.8-174.2-178.9-170.41.4109.3S232R229-S232 PolarHBondContact O-N 3.05Å
230R76.1Confident85.5Confident219 Ų21992.7 Ų92.783%0.82644%0.435SS*.THydrogen-bonded Turntrans-63.7140.9176.2-64.9-176.1179.2-171.5-0.3109.5R228 S232R228-R230 PolarHBondContact O-N 3.42Å; R230-S232 PolarHBondContact O-N 3.23Å; R230-S232 VanDerWaalsContact O-N 3.13Å
231N81.9Confident85.8Confident104 Ų10496.3 Ų96.356%0.55646%0.457SS*.THydrogen-bonded Turntrans54.328.2179.5-57.7-11.6000114.4L233 Q234 W235N231-L233 VanDerWaalsContact C-N 3.28Å; N231-L233 PolarHBondContact O-N 3.27Å; N231-Q234 HydrophobicContact CB-CB 4.24Å; N231-Q234 PolarHBondContact O-N 3.3Å; N231-W235 VanDerWaalsContact O-CD1 3.28Å; N231-W235 PolarHBondContact O-N 3.46Å
232S84.7Confident86.2Confident51 Ų5199.9 Ų99.936%0.35748%0.479SS..Hα-helixtrans-55.6-42.2-175.462.70000112.7R229 R230 W235 T236R229-S232 PolarHBondContact O-N 3.05Å; R230-S232 PolarHBondContact O-N 3.23Å; R230-S232 VanDerWaalsContact O-N 3.13Å; S232-W235 PolarHBondContact O-N 3.1Å; S232-T236 WeakPolarHBondContact O-CB 3.17Å; S232-T236 PolarHBondContact O-N 3.34Å; S232-T236 PolarHBondContact O-OG1 3.45Å
233L86.2Confident86.4Confident68 Ų6899.8 Ų99.836%0.35648%0.478SS..Hα-helixtrans-64-41.3177.3-71.4172.6000112.4N231 T236 L237 A310N231-L233 VanDerWaalsContact C-N 3.28Å; N231-L233 PolarHBondContact O-N 3.27Å; L233-T236 PolarHBondContact O-N 3.07Å; L233-L237 VanDerWaalsContact O-CB 3.31Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.29Å; L233-L237 WeakPolarHBondContact O-CG 3.36Å; L233-L237 PolarHBondContact O-N 2.92Å; L233-A310 HydrophobicContact CD2-CB 3.75Å
234Q89.8Confident86.7Confident130 Ų130102.6 Ų102.661%0.60749%0.492SS*.Hα-helixtrans-65.7-44178.2-175.7-176.7-1.400111.1N231 L237 A238N231-Q234 HydrophobicContact CB-CB 4.24Å; N231-Q234 PolarHBondContact O-N 3.3Å; Q234-L237 PolarHBondContact O-N 3.36Å; Q234-A238 VanDerWaalsContact O-CB 3.31Å; Q234-A238 WeakPolarHBondContact O-CB 3.35Å; Q234-A238 PolarHBondContact O-N 3.18Å
235W90Very high86.9Confident174 Ų174101.7 Ų101.766%0.65949%0.492SS*.Hα-helixtrans-62.5-44.9175.5-79.3107.4000112N231 S232 A238 L239N231-W235 VanDerWaalsContact O-CD1 3.28Å; N231-W235 PolarHBondContact O-N 3.46Å; S232-W235 PolarHBondContact O-N 3.1Å; W235-A238 PolarHBondContact O-N 2.94Å; W235-L239 WeakPolarHBondContact O-CB 3.12Å; W235-L239 WeakPolarHBondContact O-CG 3.44Å; W235-L239 PolarHBondContact O-N 3.4Å
236T90.9Very high87.2Confident57 Ų57106.5 Ų106.535%0.3551%0.513SS..Hα-helixtrans-63.5-42.4177.1-56.40000111.5S232 L233 L239 L240 I303 C307S232-T236 WeakPolarHBondContact O-CB 3.17Å; S232-T236 PolarHBondContact O-N 3.34Å; S232-T236 PolarHBondContact O-OG1 3.45Å; L233-T236 PolarHBondContact O-N 3.07Å; T236-L239 PolarHBondContact O-N 2.85Å; T236-L240 VanDerWaalsContact O-CB 3.27Å; T236-L240 WeakPolarHBondContact O-CB 3.26Å; T236-L240 PolarHBondContact O-N 2.75Å; T236-I303 HydrophobicContact CG2-CG2 3.65Å; T236-C307 VanDerWaalsContact CG2-SG 3.55Å
237L91Very high87.5Confident77 Ų77101 Ų10140%0.40349%0.492SS..Hα-helixtrans-66.4-41.4176.7-76.8168.9000112.1L233 Q234 L240 V241 C307L233-L237 VanDerWaalsContact O-CB 3.31Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.29Å; L233-L237 WeakPolarHBondContact O-CG 3.36Å; L233-L237 PolarHBondContact O-N 2.92Å; Q234-L237 PolarHBondContact O-N 3.36Å; L237-L240 HydrophobicContact CD2-CD2 4.43Å; L237-L240 PolarHBondContact O-N 2.93Å; L237-V241 WeakPolarHBondContact O-CG2 3.31Å; L237-V241 PolarHBondContact O-N 2.93Å; L237-C307 HydrophobicContact CD2-CB 4.01Å; L237-C307 HydrophobicContact CG-CB 4.36Å
238A93.1Very high87.8Confident50 Ų50103.1 Ų103.141%0.41350%0.501SS..Hα-helixtrans-60.6-47.5175.900000111.1Q234 W235 L240 V241 T242Q234-A238 VanDerWaalsContact O-CB 3.31Å; Q234-A238 WeakPolarHBondContact O-CB 3.35Å; Q234-A238 PolarHBondContact O-N 3.18Å; W235-A238 PolarHBondContact O-N 2.94Å; A238-L240 VanDerWaalsContact C-N 3.34Å; A238-L240 PolarHBondContact O-N 3.37Å; A238-V241 PolarHBondContact O-N 3.3Å; A238-T242 PolarHBondContact O-N 2.9Å; A238-T242 PolarHBondContact O-OG1 3.36Å
239L92.4Very high88.1Confident119 Ų11995.9 Ų95.962%0.62348%0.48SS*.Hα-helixtrans-64.8-36.6176.6-70.2171.9000112.6W235 T236 S243W235-L239 WeakPolarHBondContact O-CB 3.12Å; W235-L239 WeakPolarHBondContact O-CG 3.44Å; W235-L239 PolarHBondContact O-N 3.4Å; T236-L239 PolarHBondContact O-N 2.85Å; L239-S243 WeakPolarHBondContact O-CB 3.18Å; L239-S243 PolarHBondContact O-N 3.14Å
240L93Very high88.3Confident17 Ų1788.7 Ų88.79%0.08947%0.465CS..Hα-helixtrans-64.7-45.7175.4179.269000111.5T236 L237 A238 S243 I244 M300 I303 A304T236-L240 VanDerWaalsContact O-CB 3.27Å; T236-L240 WeakPolarHBondContact O-CB 3.26Å; T236-L240 PolarHBondContact O-N 2.75Å; L237-L240 HydrophobicContact CD2-CD2 4.43Å; L237-L240 PolarHBondContact O-N 2.93Å; A238-L240 VanDerWaalsContact C-N 3.34Å; A238-L240 PolarHBondContact O-N 3.37Å; L240-S243 WeakPolarHBondContact O-CB 3.38Å; L240-S243 PolarHBondContact O-N 3.34Å; L240-I244 HydrophobicContact CG-CD1 4.21Å; L240-I244 WeakPolarHBondContact O-CG1 3.32Å; L240-I244 PolarHBondContact O-N 3.48Å; L240-M300 HydrophobicContact CD1-CB 3.94Å; L240-M300 HydrophobicContact CD1-CG 4.08Å; L240-I303 HydrophobicContact CD1-CB 4.34Å; L240-I303 HydrophobicContact CD1-CG2 4.25Å; L240-I303 HydrophobicContact CD2-CG2 4.45Å; L240-A304 HydrophobicContact CD2-CB 3.79Å
241V93Very high88.7Confident81 Ų8180 Ų8049%0.49144%0.435SS..Hα-helixtrans-62.6-45.4176.7171.60000110.5L237 A238 S243 I244 M245L237-V241 WeakPolarHBondContact O-CG2 3.31Å; L237-V241 PolarHBondContact O-N 2.93Å; A238-V241 PolarHBondContact O-N 3.3Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 3.17Å; V241-I244 PolarHBondContact O-N 2.86Å; V241-M245 HydrophobicContact CG1-SD 4.43Å; V241-M245 WeakPolarHBondContact O-CG 3.4Å; V241-M245 PolarHBondContact O-N 3.5Å
242T94Very high88.7Confident75 Ų7580.6 Ų80.646%0.4644%0.436SS..Hα-helixtrans-58.4-43174.1-57.10000111.5A238 I244 M245 L246A238-T242 PolarHBondContact O-N 2.9Å; A238-T242 PolarHBondContact O-OG1 3.36Å; T242-I244 VanDerWaalsContact C-N 3.35Å; T242-I244 PolarHBondContact O-N 2.9Å; T242-M245 PolarHBondContact O-N 2.89Å; T242-L246 HydrophobicContact CG2-CD1 4.01Å; T242-L246 HydrophobicContact CG2-CG 4.45Å; T242-L246 WeakPolarHBondContact O-CG 3.36Å; T242-L246 PolarHBondContact O-N 2.86Å
243S90.6Very high88.3Confident57 Ų5781 Ų8140%0.39944%0.435SS..Hα-helixtrans-60.4-42.5176.2-171.70000112L239 L240 V241 L246 Y247L239-S243 WeakPolarHBondContact O-CB 3.18Å; L239-S243 PolarHBondContact O-N 3.14Å; L240-S243 WeakPolarHBondContact O-CB 3.38Å; L240-S243 PolarHBondContact O-N 3.34Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 3.17Å; S243-L246 PolarHBondContact O-N 3.23Å; S243-Y247 WeakPolarHBondContact O-CB 3.23Å; S243-Y247 PolarHBondContact O-N 3.28Å
244I91.2Very high87.7Confident76 Ų7679.3 Ų79.339%0.3943%0.427SS..Hα-helixtrans-65-43.7177.7-68.3165.4000110.7L240 V241 T242 L246 Y247 L248 M300L240-I244 HydrophobicContact CG-CD1 4.21Å; L240-I244 WeakPolarHBondContact O-CG1 3.32Å; L240-I244 PolarHBondContact O-N 3.48Å; V241-I244 PolarHBondContact O-N 2.86Å; T242-I244 VanDerWaalsContact C-N 3.35Å; T242-I244 PolarHBondContact O-N 2.9Å; I244-L246 VanDerWaalsContact C-N 3.32Å; I244-L246 PolarHBondContact O-N 3.46Å; I244-Y247 PolarHBondContact O-N 3.48Å; I244-L248 PolarHBondContact O-N 2.85Å; I244-M300 HydrophobicContact CG1-SD 3.67Å
245M90.8Very high87Confident140 Ų14075 Ų7569%0.6941%0.408SS*.Hα-helixtrans-63.5-36.6178.5-70.2-172.9109.700112.6V241 T242 P249V241-M245 HydrophobicContact CG1-SD 4.43Å; V241-M245 WeakPolarHBondContact O-CG 3.4Å; V241-M245 PolarHBondContact O-N 3.5Å; T242-M245 PolarHBondContact O-N 2.89Å; M245-P249 WeakPolarHBondContact O-CD 3.19Å
246L89.3Confident86.2Confident115 Ų11568.1 Ų68.160%0.60238%0.384SS*.Hα-helixtrans-81.2-25.1177.1-65.7177.1000113.1T242 S243 I244 P249 A250T242-L246 HydrophobicContact CG2-CD1 4.01Å; T242-L246 HydrophobicContact CG2-CG 4.45Å; T242-L246 WeakPolarHBondContact O-CG 3.36Å; T242-L246 PolarHBondContact O-N 2.86Å; S243-L246 PolarHBondContact O-N 3.23Å; I244-L246 VanDerWaalsContact C-N 3.32Å; I244-L246 PolarHBondContact O-N 3.46Å; L246-P249 VanDerWaalsContact O-CD 3.32Å; L246-P249 WeakPolarHBondContact O-CD 3.32Å; L246-P249 WeakPolarHBondContact O-CG 3.27Å; L246-A250 WeakPolarHBondContact O-CB 3.24Å; L246-A250 PolarHBondContact O-N 3.1Å
247Y87.6Confident85.3Confident48 Ų4866.9 Ų66.919%0.18838%0.376CS..Hα-helixtrans-68.8-37.1-179.9-178.2-99.5000112.8S243 I244 A250 N251 I293 P296 T297 M300S243-Y247 WeakPolarHBondContact O-CB 3.23Å; S243-Y247 PolarHBondContact O-N 3.28Å; I244-Y247 PolarHBondContact O-N 3.48Å; Y247-A250 PolarHBondContact O-N 3.44Å; Y247-N251 WeakPolarHBondContact CD2-ND2 3.48Å; Y247-N251 WeakPolarHBondContact CE1-ND2 3.28Å; Y247-N251 WeakPolarHBondContact CE2-ND2 3.42Å; Y247-N251 PolarHBondContact O-N 2.72Å; Y247-N251 PolarHBondContact O-ND2 3.34Å; Y247-I293 PolarHBondContact OH-O 3.48Å; Y247-P296 HydrophobicContact CD2-CB 4.29Å; Y247-P296 HydrophobicContact CE2-CB 3.89Å; Y247-T297 HydrophobicContact CE1-CG2 3.79Å; Y247-T297 HydrophobicContact CE2-CG2 4.38Å; Y247-T297 WeakPolarHBondContact OH-CG2 3.45Å; Y247-M300 HydrophobicContact CD1-CE 3.79Å; Y247-M300 HydrophobicContact CD2-CE 3.87Å; Y247-M300 HydrophobicContact CE1-CE 4.19Å; Y247-M300 HydrophobicContact CE2-CE 4.25Å; Y247-M300 HydrophobicContact CG-CE 3.63Å; Y247-M300 HydrophobicContact CG-SD 4.49Å
248L85.5Confident84.4Confident100 Ų10063.8 Ų63.852%0.52436%0.36SS..Hα-helixtrans-57.3-58.6175.5-97.693.7000113.1I244 A250 N251 I252I244-L248 PolarHBondContact O-N 2.85Å; L248-A250 VanDerWaalsContact C-N 3.27Å; L248-A250 PolarHBondContact O-N 3.02Å; L248-N251 PolarHBondContact O-N 2.91Å; L248-I252 HydrophobicContact CB-CD1 4.48Å; L248-I252 HydrophobicContact CD2-CD1 4.47Å; L248-I252 WeakPolarHBondContact O-CD1 3.45Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.21Å; L248-I252 PolarHBondContact O-N 3.27Å; L248-I252 VanDerWaalsContact O-N 3.14Å
249P83.2Confident83.2Confident51 Ų5162.6 Ų62.633%0.33135%0.347SS..Hα-helixtrans-63.3-33.9-179.623-31.6000111.9M245 L246 N251 I252 L253M245-P249 WeakPolarHBondContact O-CD 3.19Å; L246-P249 VanDerWaalsContact O-CD 3.32Å; L246-P249 WeakPolarHBondContact O-CD 3.32Å; L246-P249 WeakPolarHBondContact O-CG 3.27Å; P249-N251 PolarHBondContact O-N 2.84Å; P249-I252 PolarHBondContact O-N 3.37Å; P249-L253 HydrophobicContact CB-CD1 4.03Å; P249-L253 VanDerWaalsContact O-CB 3.25Å; P249-L253 WeakPolarHBondContact O-CB 3.42Å; P249-L253 VanDerWaalsContact O-CG 3.29Å; P249-L253 WeakPolarHBondContact O-CG 3.11Å; P249-L253 PolarHBondContact O-N 3.43Å
250A80.2Confident82.2Confident54 Ų5460.1 Ų60.145%0.44633%0.334SS..Hα-helixtrans-62-28.617700000113.8L246 Y247 L248L246-A250 WeakPolarHBondContact O-CB 3.24Å; L246-A250 PolarHBondContact O-N 3.1Å; Y247-A250 PolarHBondContact O-N 3.44Å; L248-A250 VanDerWaalsContact C-N 3.27Å; L248-A250 PolarHBondContact O-N 3.02Å
251N83.5Confident81.1Confident36 Ų3664.6 Ų64.619%0.19336%0.358CS..Hα-helixtrans-93.6-20.8178-76.8-92.9000113.7Y247 L248 P249Y247-N251 WeakPolarHBondContact CD2-ND2 3.48Å; Y247-N251 WeakPolarHBondContact CE1-ND2 3.28Å; Y247-N251 WeakPolarHBondContact CE2-ND2 3.42Å; Y247-N251 PolarHBondContact O-N 2.72Å; Y247-N251 PolarHBondContact O-ND2 3.34Å; L248-N251 PolarHBondContact O-N 2.91Å; P249-N251 PolarHBondContact O-N 2.84Å
252I82.1Confident79.4Confident116 Ų11662 Ų6260%0.59535%0.347SS*.Hα-helixtrans-92.2-38.6-177.9-65167.3000111.2L248 P249 T268L248-I252 HydrophobicContact CB-CD1 4.48Å; L248-I252 HydrophobicContact CD2-CD1 4.47Å; L248-I252 WeakPolarHBondContact O-CD1 3.45Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.21Å; L248-I252 PolarHBondContact O-N 3.27Å; L248-I252 VanDerWaalsContact O-N 3.14Å; P249-I252 PolarHBondContact O-N 3.37Å; I252-T268 VanDerWaalsContact O-CG2 3.29Å; I252-T268 WeakPolarHBondContact O-CG2 3.41Å
253L76.4Confident77.7Confident61 Ų6161 Ų6132%0.31934%0.343SS..SBendtrans-74.3145.6-179.4-65.7172.1000110.5P249 I255 L364P249-L253 HydrophobicContact CB-CD1 4.03Å; P249-L253 VanDerWaalsContact O-CB 3.25Å; P249-L253 WeakPolarHBondContact O-CB 3.42Å; P249-L253 VanDerWaalsContact O-CG 3.29Å; P249-L253 WeakPolarHBondContact O-CG 3.11Å; P249-L253 PolarHBondContact O-N 3.43Å; L253-I255 PolarHBondContact O-N 3.29Å; L253-L364 HydrophobicContact CD2-CD1 4.19Å
254P74.9Confident76.6Confident31 Ų3165.4 Ų65.420%0.20136%0.355CS..  trans-63.8129.5173.527.3-33000108.9P266 S267 A360P254-P266 HydrophobicContact CB-CB 3.7Å; P254-P266 HydrophobicContact CG-CB 4.12Å; P254-S267 WeakPolarHBondContact CA-O 3.35Å; P254-A360 HydrophobicContact CB-CB 4.29Å; P254-A360 CarbonylContact O-C 3.58Å; P254-A360 VanDerWaalsContact O-CB 3.27Å; P254-A360 WeakPolarHBondContact O-CB 3.16Å
255I74.4Confident75.7Confident41 Ų4166.4 Ų66.421%0.2136%0.359CS..SBendtrans-96.5-20.7-180-161.5165000111.8L253 S267 I269 I342 A360L253-I255 PolarHBondContact O-N 3.29Å; I255-S267 PolarHBondContact N-O 3.49Å; I255-I269 HydrophobicContact CB-CG1 4.2Å; I255-I269 HydrophobicContact CD1-CD1 3.94Å; I255-I269 HydrophobicContact CD1-CG1 3.81Å; I255-I269 HydrophobicContact CG2-CG1 3.87Å; I255-I342 HydrophobicContact CD1-CD1 3.38Å; I255-I342 HydrophobicContact CG1-CD1 3.58Å; I255-I342 HydrophobicContact CG2-CD1 4.4Å; I255-A360 PolarHBondContact O-N 3.5Å
256M72.3Confident74.8Confident28 Ų2863.9 Ų63.914%0.13835%0.353CS..EExtended strand (participates in β ladder)trans-142.3148.6175.261.6-175.2-83.900110.6T258 S267 I357 Y358M256-T258 WeakPolarHBondContact CE-OG1 3.39Å; M256-S267 PolarHBondContact N-O 3.02Å; M256-S267 PolarHBondContact O-N 3.02Å; M256-I357 HydrophobicContact CB-CG2 4.23Å; M256-I357 HydrophobicContact CE-CD1 4Å; M256-I357 HydrophobicContact CE-CG1 4.26Å; M256-I357 HydrophobicContact CE-CG2 3.71Å; M256-Y358 CarbonylContact C-O 3.58Å; M256-Y358 WeakPolarHBondContact CA-O 3.28Å
257V71.9Confident74Confident31 Ų3159 Ų5919%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-117.9118.4169.3171.80000106.9K264 P266 Y358 A360V257-K264 HydrophobicContact CG1-CB 3.8Å; V257-K264 HydrophobicContact CG1-CD 4.45Å; V257-K264 HydrophobicContact CG1-CG 4.15Å; V257-P266 HydrophobicContact CG2-CB 4.17Å; V257-Y358 PolarHBondContact N-O 3.02Å; V257-Y358 PolarHBondContact O-N 3Å; V257-A360 HydrophobicContact CG2-CB 3.71Å
258T72.8Confident73.8Confident13 Ų1358.7 Ų58.78%0.0833%0.332CS..EExtended strand (participates in β ladder)trans-91.4118.2172.3-53.30000107.9M256 M265 M355 S356 I357M256-T258 WeakPolarHBondContact CE-OG1 3.39Å; T258-M265 PolarHBondContact N-O 3.39Å; T258-M265 PolarHBondContact O-N 3.37Å; T258-M355 HydrophobicContact CG2-CE 3.89Å; T258-M355 HydrophobicContact CG2-CG 4.39Å; T258-S356 CarbonylContact C-O 3.58Å; T258-S356 WeakPolarHBondContact CA-O 3.22Å; T258-I357 HydrophobicContact CG2-CG1 4.17Å
259D68.8Low73.6Confident24 Ų2454.5 Ų54.513%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-97.8107.6173.4-166.9-23.5000108.7G262 S263 K264 M355 S356 Y358D259-G262 WeakPolarHBondContact OD1-CA 3.38Å; D259-G262 PolarHBondContact OD1-N 3.24Å; D259-G262 VanDerWaalsContact OD1-N 3.11Å; D259-S263 WeakPolarHBondContact CA-O 3.28Å; D259-S263 PolarHBondContact OD1-N 3.19Å; D259-K264 HydrophobicContact CB-CG 4.39Å; D259-M355 CarbonylContact O-C 3.56Å; D259-M355 VanDerWaalsContact O-CA 3.26Å; D259-M355 WeakPolarHBondContact O-CA 3.47Å; D259-S356 PolarHBondContact N-O 3.22Å; D259-S356 PolarHBondContact O-N 3.4Å; D259-Y358 HydrophobicContact CB-CD2 4.49Å; D259-Y358 HydrophobicContact CB-CE2 3.97Å
260L70.3Confident73.7Confident68 Ų6856.2 Ų56.236%0.35632%0.316SS..EExtended strand (participates in β ladder)trans-113.3114.5179-170.382.9000108.6G262 S263 M265 L354 M355L260-G262 PolarHBondContact O-N 3.03Å; L260-G262 VanDerWaalsContact O-N 3.13Å; L260-S263 PolarHBondContact N-O 2.91Å; L260-S263 WeakPolarHBondContact O-CB 3.28Å; L260-S263 PolarHBondContact O-N 3.14Å; L260-S263 PolarHBondContact O-OG 3.42Å; L260-M265 HydrophobicContact CD2-CE 4.44Å; L260-L354 WeakPolarHBondContact CA-O 3.35Å; L260-L354 WeakPolarHBondContact CD1-O 3.22Å; L260-M355 HydrophobicContact CD1-CB 3.86Å; L260-M355 HydrophobicContact CD1-CG 3.76Å; L260-M355 HydrophobicContact CD1-SD 4.25Å
261L69.3Low73.9Confident111 Ų11155.4 Ų55.458%0.58131%0.309SS*.THydrogen-bonded Turntrans52.233.7-179.4-63.9166.1000113.8S263 G353 L354 K385L261-S263 VanDerWaalsContact C-N 3.34Å; L261-G353 VanDerWaalsContact CA-O 3.3Å; L261-G353 WeakPolarHBondContact CA-O 3.34Å; L261-G353 PolarHBondContact N-O 2.82Å; L261-L354 HydrophobicContact CD2-CD2 4.27Å; L261-L354 PolarHBondContact N-O 2.91Å; L261-K385 WeakPolarHBondContact O-CE 3.09Å
262G59.1Low73.6Confident26 Ų2654.1 Ų54.127%0.26830%0.304SS..THydrogen-bonded Turntrans87.5-6-176.700000114.7D259 L260D259-G262 WeakPolarHBondContact OD1-CA 3.38Å; D259-G262 PolarHBondContact OD1-N 3.24Å; D259-G262 VanDerWaalsContact OD1-N 3.11Å; L260-G262 PolarHBondContact O-N 3.03Å; L260-G262 VanDerWaalsContact O-N 3.13Å
263S58.4Low73.8Confident53 Ų5349.1 Ų49.137%0.37128%0.279SS..EExtended strand (participates in β ladder)trans-88.8110.7176.969.50000110.8D259 L260 L261 M265D259-S263 WeakPolarHBondContact CA-O 3.28Å; D259-S263 PolarHBondContact OD1-N 3.19Å; L260-S263 PolarHBondContact N-O 2.91Å; L260-S263 WeakPolarHBondContact O-CB 3.28Å; L260-S263 PolarHBondContact O-N 3.14Å; L260-S263 PolarHBondContact O-OG 3.42Å; L261-S263 VanDerWaalsContact C-N 3.34Å; S263-M265 PolarHBondContact O-N 3.18Å
264K67.2Low74.3Confident151 Ų15151.2 Ų51.266%0.65729%0.29SS*.EExtended strand (participates in β ladder)trans-83.2113.7179.1-66.1-175.6-177.5-176.90110.7V257 D259 P266V257-K264 HydrophobicContact CG1-CB 3.8Å; V257-K264 HydrophobicContact CG1-CD 4.45Å; V257-K264 HydrophobicContact CG1-CG 4.15Å; D259-K264 HydrophobicContact CB-CG 4.39Å; K264-P266 WeakPolarHBondContact O-CD 3.23Å
265M70.7Confident74.3Confident96 Ų9653.2 Ų53.247%0.47330%0.298SS..EExtended strand (participates in β ladder)trans-10798.3176.7-59.4-172.9-15600110.1T258 L260 S263 S267T258-M265 PolarHBondContact N-O 3.39Å; T258-M265 PolarHBondContact O-N 3.37Å; L260-M265 HydrophobicContact CD2-CE 4.44Å; S263-M265 PolarHBondContact O-N 3.18Å; M265-S267 PolarHBondContact O-N 2.98Å
266P72.8Confident74.3Confident87 Ų8752.9 Ų52.957%0.56530%0.297SS*.EExtended strand (participates in β ladder)trans-69125.7174.128.2-32.8000110P254 V257 K264P254-P266 HydrophobicContact CB-CB 3.7Å; P254-P266 HydrophobicContact CG-CB 4.12Å; V257-P266 HydrophobicContact CG2-CB 4.17Å; K264-P266 WeakPolarHBondContact O-CD 3.23Å
267S72.1Confident74.9Confident13 Ų1358.3 Ų58.39%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-117.6128.3179-63.20000110.8P254 I255 M256 M265P254-S267 WeakPolarHBondContact CA-O 3.35Å; I255-S267 PolarHBondContact N-O 3.49Å; M256-S267 PolarHBondContact N-O 3.02Å; M256-S267 PolarHBondContact O-N 3.02Å; M265-S267 PolarHBondContact O-N 2.98Å
268T83.9Confident75.5Confident41 Ų4161 Ų6125%0.25234%0.336SS..  trans-73.2166.3165.464.90000110I252 L270 A271 G272I252-T268 VanDerWaalsContact O-CG2 3.29Å; I252-T268 WeakPolarHBondContact O-CG2 3.41Å; T268-L270 PolarHBondContact O-N 2.73Å; T268-A271 PolarHBondContact O-N 2.78Å; T268-A271 VanDerWaalsContact O-N 3.13Å; T268-A271 WeakPolarHBondContact OG1-CB 3.44Å; T268-A271 PolarHBondContact OG1-N 3.01Å; T268-A271 VanDerWaalsContact OG1-N 3.13Å; T268-G272 PolarHBondContact O-N 2.98Å
269I81.5Confident75.5Confident13 Ų1366.6 Ų66.67%0.06736%0.361CS..Hα-helixtrans-53.2-45.2175.4-61.3171000110.5I255 G272 V273 I288 I293I255-I269 HydrophobicContact CB-CG1 4.2Å; I255-I269 HydrophobicContact CD1-CD1 3.94Å; I255-I269 HydrophobicContact CD1-CG1 3.81Å; I255-I269 HydrophobicContact CG2-CG1 3.87Å; I269-G272 PolarHBondContact O-N 2.99Å; I269-V273 WeakPolarHBondContact O-CG2 3.44Å; I269-V273 PolarHBondContact O-N 2.93Å; I269-I288 HydrophobicContact CG2-CG2 4.35Å; I269-I293 HydrophobicContact CG2-CD1 4.09Å; I269-I293 HydrophobicContact CG2-CG1 4.1Å
270L85.4Confident75.8Confident86 Ų8667.2 Ų67.245%0.4537%0.374SS..Hα-helixtrans-67.9-40.6179.5-173.864.3000112T268 G272 V273 I274 I293T268-L270 PolarHBondContact O-N 2.73Å; L270-G272 VanDerWaalsContact C-N 3.34Å; L270-V273 PolarHBondContact O-N 3.4Å; L270-I274 HydrophobicContact CD1-CD1 4.46Å; L270-I274 HydrophobicContact CG-CD1 4.01Å; L270-I274 VanDerWaalsContact O-CG1 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.35Å; L270-I274 PolarHBondContact O-N 3.47Å; L270-I293 HydrophobicContact CB-CD1 4.44Å; L270-I293 HydrophobicContact CD1-CD1 4.21Å
271A83.9Confident75.9Confident37 Ų3765.9 Ų65.931%0.30637%0.37SS..Hα-helixtrans-63-41175.500000111.7T268 I274 L275T268-A271 PolarHBondContact O-N 2.78Å; T268-A271 VanDerWaalsContact O-N 3.13Å; T268-A271 WeakPolarHBondContact OG1-CB 3.44Å; T268-A271 PolarHBondContact OG1-N 3.01Å; T268-A271 VanDerWaalsContact OG1-N 3.13Å; A271-I274 PolarHBondContact O-N 2.88Å; A271-L275 WeakPolarHBondContact O-CB 3.43Å; A271-L275 PolarHBondContact O-N 3.4Å
272G78.2Confident76.4Confident9 Ų966.8 Ų66.89%0.09337%0.367CS..Hα-helixtrans-63-41.117500000112.9T268 I269 L270 L275 L276T268-G272 PolarHBondContact O-N 2.98Å; I269-G272 PolarHBondContact O-N 2.99Å; L270-G272 VanDerWaalsContact C-N 3.34Å; G272-L275 PolarHBondContact O-N 2.87Å; G272-L276 WeakPolarHBondContact O-CB 3.41Å; G272-L276 WeakPolarHBondContact O-CG 3.46Å; G272-L276 PolarHBondContact O-N 2.86Å
273V84.5Confident77.1Confident12 Ų1270.2 Ų70.27%0.07338%0.384CS..Hα-helixtrans-62.4-45.7173.51700000111.2I269 L270 L275 W277 A285 I288 F289I269-V273 WeakPolarHBondContact O-CG2 3.44Å; I269-V273 PolarHBondContact O-N 2.93Å; L270-V273 PolarHBondContact O-N 3.4Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-W277 VanDerWaalsContact O-CB 3.25Å; V273-W277 WeakPolarHBondContact O-CB 3.27Å; V273-W277 PolarHBondContact O-N 3.41Å; V273-A285 HydrophobicContact CG1-CB 4.45Å; V273-I288 HydrophobicContact CG2-CB 4.07Å; V273-I288 HydrophobicContact CG2-CG2 3.7Å; V273-F289 HydrophobicContact CG1-CB 3.95Å; V273-F289 HydrophobicContact CG1-CD2 4.38Å; V273-F289 HydrophobicContact CG2-CB 4.06Å
274I87Confident77.6Confident104 Ų10470.6 Ų70.653%0.53338%0.384SS..Hα-helixtrans-63.5-42.3179.4-68.3165.2000110.8L270 A271 W277 S278L270-I274 HydrophobicContact CD1-CD1 4.46Å; L270-I274 HydrophobicContact CG-CD1 4.01Å; L270-I274 VanDerWaalsContact O-CG1 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.35Å; L270-I274 PolarHBondContact O-N 3.47Å; A271-I274 PolarHBondContact O-N 2.88Å; I274-W277 PolarHBondContact O-N 2.87Å; I274-S278 WeakPolarHBondContact O-CB 3.44Å; I274-S278 PolarHBondContact O-N 3.36Å; I274-S278 PolarHBondContact O-OG 3.32Å
275L76.6Confident78Confident73 Ų7363.4 Ų63.438%0.38235%0.353SS..Hα-helixtrans-60.2-54.5177.3-178.967.9000111A271 G272 V273 W277 S278 E279A271-L275 WeakPolarHBondContact O-CB 3.43Å; A271-L275 PolarHBondContact O-N 3.4Å; G272-L275 PolarHBondContact O-N 2.87Å; V273-L275 VanDerWaalsContact C-N 3.35Å; L275-W277 PolarHBondContact O-N 3.15Å; L275-S278 WeakPolarHBondContact O-CA 3.26Å; L275-S278 PolarHBondContact O-N 3.28Å; L275-S278 PolarHBondContact O-OG 2.88Å; L275-E279 PolarHBondContact O-N 3.44Å
276L73.6Confident78.5Confident35 Ų3560.5 Ų60.518%0.18335%0.345CS..Hα-helixtrans-61.9-33.6179.4-71.4170.7000112.5G272 G280 S281 V284 A285 I288G272-L276 WeakPolarHBondContact O-CB 3.41Å; G272-L276 WeakPolarHBondContact O-CG 3.46Å; G272-L276 PolarHBondContact O-N 2.86Å; L276-G280 PolarHBondContact O-N 3.27Å; L276-S281 WeakPolarHBondContact O-CA 3.42Å; L276-S281 PolarHBondContact O-N 3.14Å; L276-V284 HydrophobicContact CD1-CG1 4.1Å; L276-A285 HydrophobicContact CB-CB 3.84Å; L276-I288 HydrophobicContact CD1-CD1 3.5Å; L276-I288 VanDerWaalsContact CD1-CD1 3.5Å
277W85.9Confident78.8Confident141 Ų14159.9 Ų59.953%0.53434%0.339SS..Hα-helixtrans-66-41.1173.4-169-79.7000111.6V273 I274 L275 G280 Y282 A285V273-W277 VanDerWaalsContact O-CB 3.25Å; V273-W277 WeakPolarHBondContact O-CB 3.27Å; V273-W277 PolarHBondContact O-N 3.41Å; I274-W277 PolarHBondContact O-N 2.87Å; L275-W277 PolarHBondContact O-N 3.15Å; W277-G280 PolarHBondContact O-N 3.19Å; W277-Y282 AromaticContact CD1-CE1 3.94Å; W277-Y282 AromaticContact CD2-CD1 3.67Å; W277-Y282 HydrophobicContact CD2-CD1 3.67Å; W277-Y282 HydrophobicContact CD2-CE1 4.03Å; W277-Y282 AromaticContact CE2-CD1 3.65Å; W277-Y282 AromaticContact CE2-CE1 3.7Å; W277-Y282 AromaticContact CE3-CD1 3.95Å; W277-Y282 HydrophobicContact CE3-CD1 3.95Å; W277-Y282 HydrophobicContact CG-CD1 4.14Å; W277-Y282 HydrophobicContact CG-CE1 4.18Å; W277-Y282 HydrophobicContact CH2-CD1 4.17Å; W277-Y282 AromaticContact CZ2-CD1 3.91Å; W277-Y282 HydrophobicContact CZ2-CD1 3.91Å; W277-Y282 HydrophobicContact CZ2-CE1 4.14Å; W277-Y282 HydrophobicContact CZ3-CD1 4.18Å; W277-Y282 AromaticContact NE1-CE1 3.65Å; W277-A285 HydrophobicContact CB-CB 4.25Å; W277-A285 HydrophobicContact CE3-CB 4.1Å
278S83.6Confident79Confident89 Ų8960.3 Ų60.362%0.62234%0.34SS*.Hα-helixtrans-70.1-31.4177.672.50000113.4I274 L275 G280I274-S278 WeakPolarHBondContact O-CB 3.44Å; I274-S278 PolarHBondContact O-N 3.36Å; I274-S278 PolarHBondContact O-OG 3.32Å; L275-S278 WeakPolarHBondContact O-CA 3.26Å; L275-S278 PolarHBondContact O-N 3.28Å; L275-S278 PolarHBondContact O-OG 2.88Å; S278-G280 PolarHBondContact O-N 3.15Å
279E72.8Confident79.2Confident129 Ų12962.3 Ų62.360%0.60335%0.345SS*.THydrogen-bonded Turntrans-77.7-1.9175.4-69.4179.6178.700113.4L275L275-E279 PolarHBondContact O-N 3.44Å
280G75.1Confident79.4Confident38 Ų3865.2 Ų65.239%0.39236%0.361SS..THydrogen-bonded Turntrans84.65.1178.800000114.9L276 W277 S278 Y282L276-G280 PolarHBondContact O-N 3.27Å; W277-G280 PolarHBondContact O-N 3.19Å; S278-G280 PolarHBondContact O-N 3.15Å; G280-Y282 WeakPolarHBondContact O-CD2 3.43Å; G280-Y282 PolarHBondContact O-N 2.93Å
281S72.6Confident79.1Confident40 Ų4061.4 Ų61.428%0.2834%0.342SS..  trans-82.955175.8-163.50000111.9L276 P283 V284 A285L276-S281 WeakPolarHBondContact O-CA 3.42Å; L276-S281 PolarHBondContact O-N 3.14Å; S281-P283 VanDerWaalsContact C-CD 3.47Å; S281-V284 PolarHBondContact O-N 2.92Å; S281-V284 WeakPolarHBondContact OG-CB 3.39Å; S281-V284 VanDerWaalsContact OG-CG2 3.29Å; S281-V284 WeakPolarHBondContact OG-CG2 3.43Å; S281-A285 WeakPolarHBondContact O-CB 3.29Å; S281-A285 PolarHBondContact O-N 2.75Å
282Y79.7Confident78.9Confident129 Ų12960 Ų6051%0.50633%0.329SS..Hα-helixtrans-54.3-43.2-176-55-68.3000114.4W277 G280 V284 A285 A286W277-Y282 AromaticContact CD1-CE1 3.94Å; W277-Y282 AromaticContact CD2-CD1 3.67Å; W277-Y282 HydrophobicContact CD2-CD1 3.67Å; W277-Y282 HydrophobicContact CD2-CE1 4.03Å; W277-Y282 AromaticContact CE2-CD1 3.65Å; W277-Y282 AromaticContact CE2-CE1 3.7Å; W277-Y282 AromaticContact CE3-CD1 3.95Å; W277-Y282 HydrophobicContact CE3-CD1 3.95Å; W277-Y282 HydrophobicContact CG-CD1 4.14Å; W277-Y282 HydrophobicContact CG-CE1 4.18Å; W277-Y282 HydrophobicContact CH2-CD1 4.17Å; W277-Y282 AromaticContact CZ2-CD1 3.91Å; W277-Y282 HydrophobicContact CZ2-CD1 3.91Å; W277-Y282 HydrophobicContact CZ2-CE1 4.14Å; W277-Y282 HydrophobicContact CZ3-CD1 4.18Å; W277-Y282 AromaticContact NE1-CE1 3.65Å; G280-Y282 WeakPolarHBondContact O-CD2 3.43Å; G280-Y282 PolarHBondContact O-N 2.93Å; Y282-V284 PolarHBondContact O-N 3.48Å; Y282-A285 PolarHBondContact O-N 2.61Å; Y282-A286 VanDerWaalsContact O-CB 3.27Å; Y282-A286 WeakPolarHBondContact O-CB 3.25Å; Y282-A286 PolarHBondContact O-N 3.35Å
283P73.6Confident79.4Confident98 Ų9860.9 Ų60.964%0.63633%0.332SS*.Hα-helixtrans-63.8-41.1-179.3-22.435000112.3S281 V287S281-P283 VanDerWaalsContact C-CD 3.47Å; P283-V287 VanDerWaalsContact O-CG2 3.28Å; P283-V287 WeakPolarHBondContact O-CG2 3.19Å; P283-V287 PolarHBondContact O-N 3.21Å
284V68Low79.5Confident61 Ų6163.7 Ų63.737%0.3735%0.345SS..Hα-helixtrans-70.5-45.5-179.6-175.40000110.2L276 S281 Y282 A286 V287 I288L276-V284 HydrophobicContact CD1-CG1 4.1Å; S281-V284 PolarHBondContact O-N 2.92Å; S281-V284 WeakPolarHBondContact OG-CB 3.39Å; S281-V284 VanDerWaalsContact OG-CG2 3.29Å; S281-V284 WeakPolarHBondContact OG-CG2 3.43Å; Y282-V284 PolarHBondContact O-N 3.48Å; V284-A286 VanDerWaalsContact C-N 3.31Å; V284-A286 PolarHBondContact O-N 2.67Å; V284-V287 PolarHBondContact O-N 2.91Å; V284-I288 HydrophobicContact CG1-CD1 4.01Å; V284-I288 WeakPolarHBondContact O-CG1 3.46Å; V284-I288 PolarHBondContact O-N 2.89Å
285A76.6Confident79.5Confident0 Ų059.8 Ų59.80%033%0.326CS..Hα-helixtrans-57.2-43.9175.500000111.9V273 L276 W277 S281 Y282 I288 F289V273-A285 HydrophobicContact CG1-CB 4.45Å; L276-A285 HydrophobicContact CB-CB 3.84Å; W277-A285 HydrophobicContact CB-CB 4.25Å; W277-A285 HydrophobicContact CE3-CB 4.1Å; S281-A285 WeakPolarHBondContact O-CB 3.29Å; S281-A285 PolarHBondContact O-N 2.75Å; Y282-A285 PolarHBondContact O-N 2.61Å; A285-I288 PolarHBondContact O-N 3.17Å; A285-F289 WeakPolarHBondContact O-CB 3.13Å; A285-F289 PolarHBondContact O-N 3.29Å
286A82.1Confident80Confident36 Ų3657.3 Ų57.330%0.29831%0.314SS..Hα-helixtrans-63.7-43.7177.400000112.2Y282 V284 I288 F289 L290Y282-A286 VanDerWaalsContact O-CB 3.27Å; Y282-A286 WeakPolarHBondContact O-CB 3.25Å; Y282-A286 PolarHBondContact O-N 3.35Å; V284-A286 VanDerWaalsContact C-N 3.31Å; V284-A286 PolarHBondContact O-N 2.67Å; A286-I288 PolarHBondContact O-N 2.89Å; A286-F289 PolarHBondContact O-N 3.02Å; A286-L290 VanDerWaalsContact O-CB 3.31Å; A286-L290 WeakPolarHBondContact O-CB 3.31Å; A286-L290 WeakPolarHBondContact O-CD1 3.27Å; A286-L290 WeakPolarHBondContact O-CG 3.44Å; A286-L290 PolarHBondContact O-N 3.1Å
287V77.7Confident80.8Confident74 Ų7457.5 Ų57.545%0.44832%0.317SS..Hα-helixtrans-59.9-47.2177.3169.30000111P283 V284 L290 A291 I337P283-V287 VanDerWaalsContact O-CG2 3.28Å; P283-V287 WeakPolarHBondContact O-CG2 3.19Å; P283-V287 PolarHBondContact O-N 3.21Å; V284-V287 PolarHBondContact O-N 2.91Å; V287-L290 PolarHBondContact O-N 2.9Å; V287-A291 WeakPolarHBondContact O-CB 3.45Å; V287-A291 PolarHBondContact O-N 3.03Å; V287-I337 HydrophobicContact CG1-CG2 4.14Å
288I77.7Confident80.9Confident22 Ų2255.3 Ų55.311%0.11332%0.315CS..Hα-helixtrans-64.3-44.5179.9-64.1168.1000110.8I269 V273 L276 V284 A285 A286 S292 V341I269-I288 HydrophobicContact CG2-CG2 4.35Å; V273-I288 HydrophobicContact CG2-CB 4.07Å; V273-I288 HydrophobicContact CG2-CG2 3.7Å; L276-I288 HydrophobicContact CD1-CD1 3.5Å; L276-I288 VanDerWaalsContact CD1-CD1 3.5Å; V284-I288 HydrophobicContact CG1-CD1 4.01Å; V284-I288 WeakPolarHBondContact O-CG1 3.46Å; V284-I288 PolarHBondContact O-N 2.89Å; A285-I288 PolarHBondContact O-N 3.17Å; A286-I288 PolarHBondContact O-N 2.89Å; I288-S292 WeakPolarHBondContact O-CB 3.19Å; I288-S292 PolarHBondContact O-N 3.47Å; I288-S292 PolarHBondContact O-OG 3.35Å; I288-V341 HydrophobicContact CD1-CG1 4.14Å; I288-V341 HydrophobicContact CG1-CG1 4.25Å
289F87.1Confident81.2Confident82 Ų8254 Ų5436%0.3630%0.298SS..Hα-helixtrans-60.9-49177.8177.1-101.3000112.4V273 A285 A286 I293 M294V273-F289 HydrophobicContact CG1-CB 3.95Å; V273-F289 HydrophobicContact CG1-CD2 4.38Å; V273-F289 HydrophobicContact CG2-CB 4.06Å; A285-F289 WeakPolarHBondContact O-CB 3.13Å; A285-F289 PolarHBondContact O-N 3.29Å; A286-F289 PolarHBondContact O-N 3.02Å; F289-I293 HydrophobicContact CD2-CD1 4.15Å; F289-I293 HydrophobicContact CE2-CD1 4.42Å; F289-I293 HydrophobicContact CE2-CG2 4.41Å; F289-I293 PolarHBondContact O-N 3.38Å; F289-I293 VanDerWaalsContact O-N 3.14Å; F289-M294 PolarHBondContact O-N 3.21Å; F289-M294 VanDerWaalsContact O-N 3.15Å
290L85Confident82Confident75 Ų7549 Ų4939%0.39328%0.275SS..Iπ-helixtrans-63.4-46.2-179.5-68.5169.5000110.7A286 V287 M294 V295A286-L290 VanDerWaalsContact O-CB 3.31Å; A286-L290 WeakPolarHBondContact O-CB 3.31Å; A286-L290 WeakPolarHBondContact O-CD1 3.27Å; A286-L290 WeakPolarHBondContact O-CG 3.44Å; A286-L290 PolarHBondContact O-N 3.1Å; V287-L290 PolarHBondContact O-N 2.9Å; L290-M294 HydrophobicContact CD2-CB 4.48Å; L290-M294 HydrophobicContact CD2-CE 3.2Å; L290-M294 HydrophobicContact CD2-SD 3.52Å; L290-M294 VanDerWaalsContact CD2-SD 3.52Å; L290-M294 HydrophobicContact CG-CE 4.44Å; L290-V295 VanDerWaalsContact O-CB 3.28Å; L290-V295 WeakPolarHBondContact O-CB 3.34Å; L290-V295 VanDerWaalsContact O-CG2 3.23Å; L290-V295 WeakPolarHBondContact O-CG2 3.27Å; L290-V295 PolarHBondContact O-N 3.33Å
291A79.5Confident82.8Confident6 Ų652.3 Ų52.35%0.0528%0.283CS..Iπ-helixtrans-73.3-38.3-175.800000114V287 P296 I337V287-A291 WeakPolarHBondContact O-CB 3.45Å; V287-A291 PolarHBondContact O-N 3.03Å; A291-P296 VanDerWaalsContact O-CD 3.28Å; A291-P296 WeakPolarHBondContact O-CD 3.47Å; A291-I337 HydrophobicContact CB-CB 3.8Å; A291-I337 HydrophobicContact CB-CD1 4.47Å; A291-I337 HydrophobicContact CB-CG2 3.53Å
292S80.6Confident83.6Confident7 Ų751 Ų515%0.04928%0.275CS..Iπ-helixtrans-97.4-27.4-168-39.30000113.3I288 D338I288-S292 WeakPolarHBondContact O-CB 3.19Å; I288-S292 PolarHBondContact O-N 3.47Å; I288-S292 PolarHBondContact O-OG 3.35Å; S292-D338 WeakPolarHBondContact OG-CB 3.41Å
293I87.2Confident84.1Confident28 Ų2846.8 Ų46.814%0.14426%0.26CS..Iπ-helixtrans-115.3-56-176.4-60.9175.6000110.5Y247 I269 L270 F289 T297Y247-I293 PolarHBondContact OH-O 3.48Å; I269-I293 HydrophobicContact CG2-CD1 4.09Å; I269-I293 HydrophobicContact CG2-CG1 4.1Å; L270-I293 HydrophobicContact CB-CD1 4.44Å; L270-I293 HydrophobicContact CD1-CD1 4.21Å; F289-I293 HydrophobicContact CD2-CD1 4.15Å; F289-I293 HydrophobicContact CE2-CD1 4.42Å; F289-I293 HydrophobicContact CE2-CG2 4.41Å; F289-I293 PolarHBondContact O-N 3.38Å; F289-I293 VanDerWaalsContact O-N 3.14Å; I293-T297 WeakPolarHBondContact O-CB 3.5Å; I293-T297 WeakPolarHBondContact O-CG2 3.14Å; I293-T297 PolarHBondContact O-N 2.77Å; I293-T297 PolarHBondContact O-OG1 3.3Å
294M87.7Confident84.9Confident71 Ų7144.1 Ų44.135%0.3525%0.246SC..Iπ-helixtrans-70.9-45.5-171.5-163-172.375.100112.7F289 L290 T297 L298F289-M294 PolarHBondContact O-N 3.21Å; F289-M294 VanDerWaalsContact O-N 3.15Å; L290-M294 HydrophobicContact CD2-CB 4.48Å; L290-M294 HydrophobicContact CD2-CE 3.2Å; L290-M294 HydrophobicContact CD2-SD 3.52Å; L290-M294 VanDerWaalsContact CD2-SD 3.52Å; L290-M294 HydrophobicContact CG-CE 4.44Å; M294-T297 PolarHBondContact O-OG1 3.11Å; M294-L298 HydrophobicContact CE-CD1 4.13Å; M294-L298 HydrophobicContact CG-CD1 3.86Å; M294-L298 HydrophobicContact CG-CG 4.38Å; M294-L298 WeakPolarHBondContact O-CB 2.93Å; M294-L298 VanDerWaalsContact O-CG 3.22Å; M294-L298 WeakPolarHBondContact O-CG 3.43Å; M294-L298 PolarHBondContact O-N 3.07Å; M294-L298 HydrophobicContact SD-CD1 4.41Å
295V86.8Confident85.9Confident21 Ų2147.9 Ų47.913%0.12725%0.254CS..Hα-helixtrans-63.9-50-178.7156.80000112.4L290 T297 K299 V331L290-V295 VanDerWaalsContact O-CB 3.28Å; L290-V295 WeakPolarHBondContact O-CB 3.34Å; L290-V295 VanDerWaalsContact O-CG2 3.23Å; L290-V295 WeakPolarHBondContact O-CG2 3.27Å; L290-V295 PolarHBondContact O-N 3.33Å; V295-T297 PolarHBondContact O-N 3.5Å; V295-K299 VanDerWaalsContact O-CB 3.3Å; V295-K299 WeakPolarHBondContact O-CB 3.31Å; V295-K299 PolarHBondContact O-N 3.07Å; V295-V331 HydrophobicContact CB-CG1 4.14Å; V295-V331 HydrophobicContact CG1-CG1 3.41Å; V295-V331 VanDerWaalsContact CG1-CG1 3.41Å; V295-V331 HydrophobicContact CG2-CG1 3.87Å
296P87.4Confident86.4Confident21 Ų2149.4 Ų49.414%0.13626%0.262CS..Hα-helixtrans-64.2-39.7178.7-2637.3000113.1Y247 A291 K299 M300Y247-P296 HydrophobicContact CD2-CB 4.29Å; Y247-P296 HydrophobicContact CE2-CB 3.89Å; A291-P296 VanDerWaalsContact O-CD 3.28Å; A291-P296 WeakPolarHBondContact O-CD 3.47Å; P296-K299 WeakPolarHBondContact O-CB 3.3Å; P296-K299 PolarHBondContact O-N 3.46Å; P296-M300 WeakPolarHBondContact O-CG 3.32Å; P296-M300 PolarHBondContact O-N 3.08Å
297T89.2Confident86.6Confident40 Ų4048.3 Ų48.325%0.24525%0.252CS..Hα-helixtrans-64.2-48.7177.6520000111.8Y247 I293 M294 V295 K299 M300 I301Y247-T297 HydrophobicContact CE1-CG2 3.79Å; Y247-T297 HydrophobicContact CE2-CG2 4.38Å; Y247-T297 WeakPolarHBondContact OH-CG2 3.45Å; I293-T297 WeakPolarHBondContact O-CB 3.5Å; I293-T297 WeakPolarHBondContact O-CG2 3.14Å; I293-T297 PolarHBondContact O-N 2.77Å; I293-T297 PolarHBondContact O-OG1 3.3Å; M294-T297 PolarHBondContact O-OG1 3.11Å; V295-T297 PolarHBondContact O-N 3.5Å; T297-K299 VanDerWaalsContact C-N 3.28Å; T297-K299 PolarHBondContact O-N 3.31Å; T297-M300 HydrophobicContact CG2-CE 4.37Å; T297-M300 PolarHBondContact O-N 3.41Å; T297-I301 VanDerWaalsContact O-CG1 3.29Å; T297-I301 WeakPolarHBondContact O-CG1 3.38Å; T297-I301 PolarHBondContact O-N 3.17Å
298L89.6Confident87Confident95 Ų9552.5 Ų52.550%0.49726%0.26SS..Hα-helixtrans-59.7-38.9174.8-71.4174.4000111.7M294 I301 A302M294-L298 HydrophobicContact CE-CD1 4.13Å; M294-L298 HydrophobicContact CG-CD1 3.86Å; M294-L298 HydrophobicContact CG-CG 4.38Å; M294-L298 WeakPolarHBondContact O-CB 2.93Å; M294-L298 VanDerWaalsContact O-CG 3.22Å; M294-L298 WeakPolarHBondContact O-CG 3.43Å; M294-L298 PolarHBondContact O-N 3.07Å; M294-L298 HydrophobicContact SD-CD1 4.41Å; L298-I301 PolarHBondContact O-N 2.74Å; L298-A302 WeakPolarHBondContact O-CB 3.36Å; L298-A302 PolarHBondContact O-N 3.47Å
299K88.5Confident87.4Confident61 Ų6152.7 Ų52.727%0.26526%0.261SS..Hα-helixtrans-63.6-46.2176.5-170.2179.7-176.7-177.60112V295 P296 T297 A302 I303 V328V295-K299 VanDerWaalsContact O-CB 3.3Å; V295-K299 WeakPolarHBondContact O-CB 3.31Å; V295-K299 PolarHBondContact O-N 3.07Å; P296-K299 WeakPolarHBondContact O-CB 3.3Å; P296-K299 PolarHBondContact O-N 3.46Å; T297-K299 VanDerWaalsContact C-N 3.28Å; T297-K299 PolarHBondContact O-N 3.31Å; K299-A302 PolarHBondContact O-N 3.3Å; K299-I303 HydrophobicContact CG-CD1 3.95Å; K299-I303 WeakPolarHBondContact O-CB 3.49Å; K299-I303 VanDerWaalsContact O-CG1 3.25Å; K299-I303 WeakPolarHBondContact O-CG1 3.37Å; K299-I303 PolarHBondContact O-N 3.4Å; K299-V328 HydrophobicContact CG-CG1 4.21Å
300M90Very high87.1Confident24 Ų2451.8 Ų51.812%0.11827%0.268CS..Hα-helixtrans-62.9-44.6176.8-72.1-175.6-69.100111.5L240 I244 Y247 P296 T297 I303 A304L240-M300 HydrophobicContact CD1-CB 3.94Å; L240-M300 HydrophobicContact CD1-CG 4.08Å; I244-M300 HydrophobicContact CG1-SD 3.67Å; Y247-M300 HydrophobicContact CD1-CE 3.79Å; Y247-M300 HydrophobicContact CD2-CE 3.87Å; Y247-M300 HydrophobicContact CE1-CE 4.19Å; Y247-M300 HydrophobicContact CE2-CE 4.25Å; Y247-M300 HydrophobicContact CG-CE 3.63Å; Y247-M300 HydrophobicContact CG-SD 4.49Å; P296-M300 WeakPolarHBondContact O-CG 3.32Å; P296-M300 PolarHBondContact O-N 3.08Å; T297-M300 HydrophobicContact CG2-CE 4.37Å; T297-M300 PolarHBondContact O-N 3.41Å; M300-I303 PolarHBondContact O-N 2.86Å; M300-A304 VanDerWaalsContact O-CB 3.28Å; M300-A304 WeakPolarHBondContact O-CB 3.38Å; M300-A304 PolarHBondContact O-N 3.24Å
301I91.8Very high87Confident107 Ų10755.5 Ų55.555%0.54928%0.281SS..Hα-helixtrans-63-46.2177.8-67.2166.3000110.8T297 L298 A304 W305T297-I301 VanDerWaalsContact O-CG1 3.29Å; T297-I301 WeakPolarHBondContact O-CG1 3.38Å; T297-I301 PolarHBondContact O-N 3.17Å; L298-I301 PolarHBondContact O-N 2.74Å; I301-A304 WeakPolarHBondContact O-CB 2.91Å; I301-A304 PolarHBondContact O-N 2.96Å; I301-W305 WeakPolarHBondContact O-CB 3.26Å; I301-W305 PolarHBondContact O-N 3.43Å
302A89.9Confident86.6Confident14 Ų1457.3 Ų57.312%0.11630%0.301CS..Hα-helixtrans-64.6-42.2179.900000112.1L298 K299 W305 L306 I324 V328L298-A302 WeakPolarHBondContact O-CB 3.36Å; L298-A302 PolarHBondContact O-N 3.47Å; K299-A302 PolarHBondContact O-N 3.3Å; A302-W305 PolarHBondContact O-N 3.22Å; A302-L306 WeakPolarHBondContact O-CB 3.32Å; A302-L306 VanDerWaalsContact O-CG 3.27Å; A302-L306 WeakPolarHBondContact O-CG 3.2Å; A302-L306 PolarHBondContact O-N 3.16Å; A302-I324 HydrophobicContact CB-CG2 3.95Å; A302-V328 HydrophobicContact CB-CG2 3.35Å
303I89.4Confident86.1Confident40 Ų4062.7 Ų62.721%0.20533%0.325CS..Hα-helixtrans-65.9-41.1175.1-67.7170000111T236 L240 K299 M300 W305 L306 C307 V328T236-I303 HydrophobicContact CG2-CG2 3.65Å; L240-I303 HydrophobicContact CD1-CB 4.34Å; L240-I303 HydrophobicContact CD1-CG2 4.25Å; L240-I303 HydrophobicContact CD2-CG2 4.45Å; K299-I303 HydrophobicContact CG-CD1 3.95Å; K299-I303 WeakPolarHBondContact O-CB 3.49Å; K299-I303 VanDerWaalsContact O-CG1 3.25Å; K299-I303 WeakPolarHBondContact O-CG1 3.37Å; K299-I303 PolarHBondContact O-N 3.4Å; M300-I303 PolarHBondContact O-N 2.86Å; I303-W305 VanDerWaalsContact C-N 3.31Å; I303-W305 PolarHBondContact O-N 2.89Å; I303-L306 PolarHBondContact O-N 2.84Å; I303-C307 WeakPolarHBondContact O-CB 3.46Å; I303-C307 PolarHBondContact O-N 3.19Å; I303-C307 PolarHBondContact O-SG 3.05Å; I303-V328 HydrophobicContact CD1-CG1 4.31Å; I303-V328 HydrophobicContact CG1-CG1 4.04Å
304A90.4Very high85.1Confident41 Ų4162.7 Ų62.734%0.33933%0.332SS..Hα-helixtrans-58.5-45.7174.800000110.8L240 M300 I301 C307 W308L240-A304 HydrophobicContact CD2-CB 3.79Å; M300-A304 VanDerWaalsContact O-CB 3.28Å; M300-A304 WeakPolarHBondContact O-CB 3.38Å; M300-A304 PolarHBondContact O-N 3.24Å; I301-A304 WeakPolarHBondContact O-CB 2.91Å; I301-A304 PolarHBondContact O-N 2.96Å; A304-C307 PolarHBondContact O-N 3.11Å; A304-W308 WeakPolarHBondContact O-CB 3.39Å; A304-W308 PolarHBondContact O-N 2.97Å
305W89.5Confident84Confident140 Ų14069.5 Ų69.553%0.5336%0.359SS..Hα-helixtrans-66-42.7179.2-17016.4000112.3I301 A302 I303 C307 W308 D309 M321 I324I301-W305 WeakPolarHBondContact O-CB 3.26Å; I301-W305 PolarHBondContact O-N 3.43Å; A302-W305 PolarHBondContact O-N 3.22Å; I303-W305 VanDerWaalsContact C-N 3.31Å; I303-W305 PolarHBondContact O-N 2.89Å; W305-C307 VanDerWaalsContact C-N 3.34Å; W305-C307 PolarHBondContact O-N 3.41Å; W305-W308 WeakPolarHBondContact O-CB 3.32Å; W305-W308 PolarHBondContact O-N 2.99Å; W305-D309 PolarHBondContact O-N 3.37Å; W305-M321 HydrophobicContact CZ2-CE 4.22Å; W305-I324 HydrophobicContact CE3-CD1 3.8Å; W305-I324 HydrophobicContact CH2-CD1 3.99Å; W305-I324 HydrophobicContact CZ3-CD1 3.48Å; W305-I324 VanDerWaalsContact CZ3-CD1 3.48Å
306L87.3Confident82.9Confident33 Ų3378.1 Ų78.117%0.17339%0.39CS..Hα-helixtrans-62.1-39.8174.2-73.3170.1000112.1A302 I303 W308 A310 M321 I324 Y325A302-L306 WeakPolarHBondContact O-CB 3.32Å; A302-L306 VanDerWaalsContact O-CG 3.27Å; A302-L306 WeakPolarHBondContact O-CG 3.2Å; A302-L306 PolarHBondContact O-N 3.16Å; I303-L306 PolarHBondContact O-N 2.84Å; L306-W308 VanDerWaalsContact C-N 3.35Å; L306-A310 WeakPolarHBondContact O-CB 3.38Å; L306-A310 PolarHBondContact O-N 2.99Å; L306-M321 HydrophobicContact CD2-CB 4.12Å; L306-M321 HydrophobicContact CD2-SD 4.02Å; L306-I324 HydrophobicContact CD1-CG2 4.18Å; L306-I324 HydrophobicContact CD2-CG2 4.33Å; L306-I324 HydrophobicContact CG-CG2 4.18Å; L306-Y325 HydrophobicContact CD1-CD2 4.33Å
307C87Confident82.2Confident12 Ų1280 Ų808%0.08140%0.399CS..Hα-helixtrans-66.9-37.6175.3-68.30000111.9T236 L237 I303 A304 W305 K311T236-C307 VanDerWaalsContact CG2-SG 3.55Å; L237-C307 HydrophobicContact CD2-CB 4.01Å; L237-C307 HydrophobicContact CG-CB 4.36Å; I303-C307 WeakPolarHBondContact O-CB 3.46Å; I303-C307 PolarHBondContact O-N 3.19Å; I303-C307 PolarHBondContact O-SG 3.05Å; A304-C307 PolarHBondContact O-N 3.11Å; W305-C307 VanDerWaalsContact C-N 3.34Å; W305-C307 PolarHBondContact O-N 3.41Å; C307-K311 PolarHBondContact O-N 3.21Å; C307-K311 VanDerWaalsContact O-N 3.14Å
308W86.1Confident81.3Confident162 Ų16282 Ų8261%0.61441%0.414SS*.Hα-helixtrans-65.2-47.7177-174-80.7000112.1A304 W305 L306 K311 H313A304-W308 WeakPolarHBondContact O-CB 3.39Å; A304-W308 PolarHBondContact O-N 2.97Å; W305-W308 WeakPolarHBondContact O-CB 3.32Å; W305-W308 PolarHBondContact O-N 2.99Å; L306-W308 VanDerWaalsContact C-N 3.35Å; W308-K311 PolarHBondContact O-N 3.02Å; W308-H313 HydrophobicContact CG-CB 4.4Å; W308-H313 HydrophobicContact CZ2-CB 4.44Å
309D84.5Confident80.4Confident27 Ų2784.3 Ų84.314%0.14442%0.422CS..Iπ-helixtrans-64-43176.1-174.778.6000111.3W305 K311 G312 G314 M321W305-D309 PolarHBondContact O-N 3.37Å; D309-K311 PolarHBondContact O-N 3.48Å; D309-G312 WeakPolarHBondContact O-CA 3.29Å; D309-G312 PolarHBondContact O-N 3.46Å; D309-G314 WeakPolarHBondContact OD1-CA 3.39Å; D309-M321 HydrophobicContact CB-SD 4.02Å
310A81.3Confident80Confident62 Ų6289.4 Ų89.451%0.51244%0.44SS..Iπ-helixtrans-63.5-24.4178.500000114L233 L306 G312L233-A310 HydrophobicContact CD2-CB 3.75Å; L306-A310 WeakPolarHBondContact O-CB 3.38Å; L306-A310 PolarHBondContact O-N 2.99Å; A310-G312 PolarHBondContact O-N 3.28Å
311K82.5Confident79.4Confident153 Ų15389.5 Ų89.567%0.66544%0.44SS*.Iπ-helixtrans-77.2-8.1172.7-162.6174.7179.9-175.80112.9C307 W308 D309C307-K311 PolarHBondContact O-N 3.21Å; C307-K311 VanDerWaalsContact O-N 3.14Å; W308-K311 PolarHBondContact O-N 3.02Å; D309-K311 PolarHBondContact O-N 3.48Å
312G73Confident78.6Confident44 Ų4486 Ų8645%0.45442%0.421SS..Iπ-helixtrans103.710.3173.700000115.3D309 A310D309-G312 WeakPolarHBondContact O-CA 3.29Å; D309-G312 PolarHBondContact O-N 3.46Å; A310-G312 PolarHBondContact O-N 3.28Å
313H70.2Confident78.2Confident121 Ų12190.6 Ų90.656%0.5644%0.443SS*.Iπ-helixtrans-94.7-1.8-175.8-68.7-74.3000115W308W308-H313 HydrophobicContact CG-CB 4.4Å; W308-H313 HydrophobicContact CZ2-CB 4.44Å
314G65.6Low77.9Confident28 Ų2890.1 Ų90.129%0.28944%0.441SS..SBendtrans-108.6175.2178.900000114D309 R316D309-G314 WeakPolarHBondContact OD1-CA 3.39Å; G314-R316 PolarHBondContact O-N 3.13Å
315K63.8Low77.5Confident213 Ų21393.1 Ų93.193%0.92644%0.444SS*.  trans-71.86.4-173.5-68-175.9178-179.90114.1D317K315-D317 PolarHBondContact O-N 2.85Å
316R63.7Low77Confident203 Ų20392 Ų9277%0.76645%0.445SS*.  trans53.133.4179.8-68.8-177.6169.3160.3-0.6114.2G314 S318G314-R316 PolarHBondContact O-N 3.13Å; R316-S318 PolarHBondContact O-N 3.13Å
317D73.3Confident76.7Confident60 Ų6094.1 Ų94.132%0.32146%0.459SS..  trans-76.592.2172.6-170.5-19.7000109.4K315 E319 R320 M321K315-D317 PolarHBondContact O-N 2.85Å; D317-E319 PolarHBondContact O-N 3.02Å; D317-E319 PolarHBondContact OD1-N 2.98Å; D317-R320 HydrophobicContact CB-CB 4.38Å; D317-R320 HydrophobicContact CB-CG 4.46Å; D317-R320 PolarHBondContact O-N 3.4Å; D317-R320 PolarHBondContact OD1-N 3.41Å; D317-R320 WeakPolarHBondContact OD2-CD 3.37Å; D317-R320 WeakPolarHBondContact OD2-CG 3.36Å; D317-R320 IonicContact OD2-CZ 3.47Å; D317-R320 IonicContact OD2-NE 2.78Å; D317-R320 PolarHBondContact OD2-NE 3.38Å; D317-M321 WeakPolarHBondContact O-CG 3.39Å; D317-M321 PolarHBondContact O-N 2.84Å; D317-M321 VanDerWaalsContact O-N 3.17Å
318S69.2Low76.6Confident81 Ų8194.5 Ų94.557%0.56646%0.461SS*.Hα-helixtrans-64.1-27.5-173.455.20000113.6R316 H322R316-S318 PolarHBondContact O-N 3.13Å; S318-H322 VanDerWaalsContact O-CB 3.31Å; S318-H322 WeakPolarHBondContact O-CB 3.27Å; S318-H322 PolarHBondContact O-N 2.92Å; S318-H322 VanDerWaalsContact O-N 3.08Å
319E72.4Confident76.2Confident144 Ų14490.9 Ų90.967%0.67345%0.451SS*.Hα-helixtrans-73.7-47.4-179.2-67-173.4174.200110.8D317 M321 H322 L323D317-E319 PolarHBondContact O-N 3.02Å; D317-E319 PolarHBondContact OD1-N 2.98Å; E319-M321 VanDerWaalsContact C-N 3.34Å; E319-M321 PolarHBondContact O-N 3.05Å; E319-H322 PolarHBondContact O-N 3.44Å; E319-L323 PolarHBondContact O-N 3.49Å
320R78.6Confident75.7Confident169 Ų16995 Ų9564%0.63847%0.468SS*.Hα-helixtrans-62.1-42.8176.7-67.9-176.9-165.5-156.1-4.9112D317 H322 L323 I324D317-R320 HydrophobicContact CB-CB 4.38Å; D317-R320 HydrophobicContact CB-CG 4.46Å; D317-R320 PolarHBondContact O-N 3.4Å; D317-R320 PolarHBondContact OD1-N 3.41Å; D317-R320 WeakPolarHBondContact OD2-CD 3.37Å; D317-R320 WeakPolarHBondContact OD2-CG 3.36Å; D317-R320 IonicContact OD2-CZ 3.47Å; D317-R320 IonicContact OD2-NE 2.78Å; D317-R320 PolarHBondContact OD2-NE 3.38Å; R320-H322 VanDerWaalsContact C-N 3.29Å; R320-H322 PolarHBondContact O-N 2.95Å; R320-L323 PolarHBondContact O-N 3.41Å; R320-I324 WeakPolarHBondContact O-CG1 3.36Å; R320-I324 PolarHBondContact O-N 3.02Å
321M77.3Confident75.6Confident25 Ų2593.9 Ų93.912%0.12346%0.455CS..Hα-helixtrans-66-34.9178.8-64.8-56.1106.200111.6W305 L306 D309 D317 E319 I324 Y325W305-M321 HydrophobicContact CZ2-CE 4.22Å; L306-M321 HydrophobicContact CD2-CB 4.12Å; L306-M321 HydrophobicContact CD2-SD 4.02Å; D309-M321 HydrophobicContact CB-SD 4.02Å; D317-M321 WeakPolarHBondContact O-CG 3.39Å; D317-M321 PolarHBondContact O-N 2.84Å; D317-M321 VanDerWaalsContact O-N 3.17Å; E319-M321 VanDerWaalsContact C-N 3.34Å; E319-M321 PolarHBondContact O-N 3.05Å; M321-I324 HydrophobicContact CE-CD1 3.68Å; M321-I324 HydrophobicContact SD-CD1 4.39Å; M321-Y325 WeakPolarHBondContact O-CB 3.35Å; M321-Y325 PolarHBondContact O-N 3.22Å
322H75.7Confident75.1Confident33 Ų3387.5 Ų87.515%0.15343%0.433CS..Hα-helixtrans-66-43.7174-171.948.4000112C36 T38 S318 E319 R320 Y325 E326C36-H322 PolarHBondContact O-CD2 3.05Å; T38-H322 PolarHBondContact OG1-NE2 2.81Å; S318-H322 VanDerWaalsContact O-CB 3.31Å; S318-H322 WeakPolarHBondContact O-CB 3.27Å; S318-H322 PolarHBondContact O-N 2.92Å; S318-H322 VanDerWaalsContact O-N 3.08Å; E319-H322 PolarHBondContact O-N 3.44Å; R320-H322 VanDerWaalsContact C-N 3.29Å; R320-H322 PolarHBondContact O-N 2.95Å; H322-Y325 WeakPolarHBondContact O-CB 3.14Å; H322-Y325 PolarHBondContact O-N 3.05Å; H322-E326 PolarHBondContact O-N 3.38Å
323L80.5Confident74.9Confident111 Ų11189.2 Ų89.258%0.58143%0.425SS*.Hα-helixtrans-62.9-43.6177.5-172.8142.5000111.7E319 R320 Y325 E326 V327E319-L323 PolarHBondContact O-N 3.49Å; R320-L323 PolarHBondContact O-N 3.41Å; L323-Y325 VanDerWaalsContact C-N 3.33Å; L323-Y325 PolarHBondContact O-N 3.12Å; L323-E326 PolarHBondContact O-N 3.21Å; L323-V327 HydrophobicContact CD2-CG2 4.24Å; L323-V327 WeakPolarHBondContact O-CB 3.43Å; L323-V327 VanDerWaalsContact O-CG2 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.28Å; L323-V327 PolarHBondContact O-N 3.03Å
324I84.4Confident74.9Confident31 Ų3187.6 Ų87.616%0.15941%0.414CS..Hα-helixtrans-60.9-44.4174.5-66.6167000110.4A302 W305 L306 R320 M321 E326 V327 V328A302-I324 HydrophobicContact CB-CG2 3.95Å; W305-I324 HydrophobicContact CE3-CD1 3.8Å; W305-I324 HydrophobicContact CH2-CD1 3.99Å; W305-I324 HydrophobicContact CZ3-CD1 3.48Å; W305-I324 VanDerWaalsContact CZ3-CD1 3.48Å; L306-I324 HydrophobicContact CD1-CG2 4.18Å; L306-I324 HydrophobicContact CD2-CG2 4.33Å; L306-I324 HydrophobicContact CG-CG2 4.18Å; R320-I324 WeakPolarHBondContact O-CG1 3.36Å; R320-I324 PolarHBondContact O-N 3.02Å; M321-I324 HydrophobicContact CE-CD1 3.68Å; M321-I324 HydrophobicContact SD-CD1 4.39Å; I324-E326 PolarHBondContact O-N 3.14Å; I324-V327 PolarHBondContact O-N 3.1Å; I324-V328 HydrophobicContact CG2-CG2 4.33Å; I324-V328 WeakPolarHBondContact O-CB 3.49Å; I324-V328 VanDerWaalsContact O-CG2 3.23Å; I324-V328 WeakPolarHBondContact O-CG2 3.28Å; I324-V328 PolarHBondContact O-N 3.42Å
325Y82.4Confident75Confident103 Ų10388.4 Ų88.440%0.40442%0.416SS..Hα-helixtrans-60.9-44.2177.8176.3-90.5000112.2L306 M321 H322 L323 V328 E329L306-Y325 HydrophobicContact CD1-CD2 4.33Å; M321-Y325 WeakPolarHBondContact O-CB 3.35Å; M321-Y325 PolarHBondContact O-N 3.22Å; H322-Y325 WeakPolarHBondContact O-CB 3.14Å; H322-Y325 PolarHBondContact O-N 3.05Å; L323-Y325 VanDerWaalsContact C-N 3.33Å; L323-Y325 PolarHBondContact O-N 3.12Å; Y325-V328 PolarHBondContact O-N 2.85Å; Y325-E329 WeakPolarHBondContact CE1-OE2 3.2Å; Y325-E329 PolarHBondContact O-N 3.28Å
326E78.1Confident75.4Confident118 Ų11881.1 Ų81.155%0.55139%0.386SS*.Hα-helixtrans-65.3-41.6178.1-172173.9-166.400111.9H322 L323 I324 V328 E329 F330H322-E326 PolarHBondContact O-N 3.38Å; L323-E326 PolarHBondContact O-N 3.21Å; I324-E326 PolarHBondContact O-N 3.14Å; E326-V328 PolarHBondContact O-N 3.33Å; E326-E329 PolarHBondContact O-N 3.31Å; E326-F330 WeakPolarHBondContact O-CB 3.33Å; E326-F330 PolarHBondContact O-N 2.81Å
327V82.2Confident76Confident76 Ų7672 Ų7246%0.46135%0.352SS..Hα-helixtrans-61.5-43.8173.9171.60000110.9L323 I324 E329 F330 V331L323-V327 HydrophobicContact CD2-CG2 4.24Å; L323-V327 WeakPolarHBondContact O-CB 3.43Å; L323-V327 VanDerWaalsContact O-CG2 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.28Å; L323-V327 PolarHBondContact O-N 3.03Å; I324-V327 PolarHBondContact O-N 3.1Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 3Å; V327-F330 PolarHBondContact O-N 2.85Å; V327-V331 HydrophobicContact CG1-CG2 4.17Å; V327-V331 WeakPolarHBondContact O-CB 3.21Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.3Å; V327-V331 PolarHBondContact O-N 2.93Å
328V84.9Confident76Confident20 Ų2070.9 Ų70.912%0.12135%0.346CS..Hα-helixtrans-63-39.5176.6167.20000111.9K299 A302 I303 I324 Y325 E326 G332K299-V328 HydrophobicContact CG-CG1 4.21Å; A302-V328 HydrophobicContact CB-CG2 3.35Å; I303-V328 HydrophobicContact CD1-CG1 4.31Å; I303-V328 HydrophobicContact CG1-CG1 4.04Å; I324-V328 HydrophobicContact CG2-CG2 4.33Å; I324-V328 WeakPolarHBondContact O-CB 3.49Å; I324-V328 VanDerWaalsContact O-CG2 3.23Å; I324-V328 WeakPolarHBondContact O-CG2 3.28Å; I324-V328 PolarHBondContact O-N 3.42Å; Y325-V328 PolarHBondContact O-N 2.85Å; E326-V328 PolarHBondContact O-N 3.33Å; V328-G332 WeakPolarHBondContact O-CA 3.38Å; V328-G332 PolarHBondContact O-N 3.27Å
329E77.4Confident76.2Confident86 Ų8668.9 Ų68.940%0.40233%0.33SS..Hα-helixtrans-68.5-37.4177.7-165.8179165.200111.9Y325 E326 V327Y325-E329 WeakPolarHBondContact CE1-OE2 3.2Å; Y325-E329 PolarHBondContact O-N 3.28Å; E326-E329 PolarHBondContact O-N 3.31Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 3Å
330F74.1Confident76.4Confident113 Ų11362.8 Ų62.850%0.49630%0.301SS..Hα-helixtrans-68-54.3175.5179.1-99.6000112E326 V327 G332 R333E326-F330 WeakPolarHBondContact O-CB 3.33Å; E326-F330 PolarHBondContact O-N 2.81Å; V327-F330 PolarHBondContact O-N 2.85Å; F330-G332 PolarHBondContact O-N 2.86Å; F330-R333 PolarHBondContact O-N 3.4Å
331V78.6Confident76.2Confident39 Ų3956.2 Ų56.224%0.23628%0.28CS..Hα-helixtrans-64.5-28.1179.4171.60000111.3V295 V327 R333 W334V295-V331 HydrophobicContact CB-CG1 4.14Å; V295-V331 HydrophobicContact CG1-CG1 3.41Å; V295-V331 VanDerWaalsContact CG1-CG1 3.41Å; V295-V331 HydrophobicContact CG2-CG1 3.87Å; V327-V331 HydrophobicContact CG1-CG2 4.17Å; V327-V331 WeakPolarHBondContact O-CB 3.21Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.3Å; V327-V331 PolarHBondContact O-N 2.93Å; V331-R333 PolarHBondContact O-N 2.91Å; V331-W334 WeakPolarHBondContact O-CB 3.47Å; V331-W334 PolarHBondContact O-N 2.8Å
332G71.4Confident76.1Confident20 Ų2056.1 Ų56.121%0.20628%0.28CS..G310 helixtrans-55.6-27.8-179.300000114.7V328 F330 W334V328-G332 WeakPolarHBondContact O-CA 3.38Å; V328-G332 PolarHBondContact O-N 3.27Å; F330-G332 PolarHBondContact O-N 2.86Å; G332-W334 VanDerWaalsContact C-N 3.32Å
333R70Confident76.2Confident80 Ų8054.6 Ų54.630%0.30227%0.273SS..G310 helixtrans-72.8-20.2176.9-70.9-169.6-87.8-78.9-0.1113.9E149 I150 F330 V331 S335E149-R333 IonicContact OE1-NE 3.88Å; E149-R333 PolarHBondContact OE1-NE 2.66Å; E149-R333 VanDerWaalsContact OE1-NE 3.17Å; E149-R333 VanDerWaalsContact OE2-CD 3.32Å; E149-R333 WeakPolarHBondContact OE2-CD 3.32Å; E149-R333 IonicContact OE2-NE 3.1Å; E149-R333 PolarHBondContact OE2-NE 3.28Å; E149-R333 VanDerWaalsContact OE2-NE 3.11Å; I150-R333 WeakPolarHBondContact CD1-O 3.25Å; F330-R333 PolarHBondContact O-N 3.4Å; V331-R333 PolarHBondContact O-N 2.91Å; R333-S335 VanDerWaalsContact C-N 3.33Å
334W70.1Confident76.1Confident86 Ų8650.1 Ų50.133%0.32625%0.25SC..G310 helixtrans-87-5-175.2-67.462.5000113.4V331 G332 M336 I337V331-W334 WeakPolarHBondContact O-CB 3.47Å; V331-W334 PolarHBondContact O-N 2.8Å; G332-W334 VanDerWaalsContact C-N 3.32Å; W334-M336 PolarHBondContact O-N 3.18Å; W334-M336 VanDerWaalsContact O-N 3.1Å; W334-I337 HydrophobicContact CB-CD1 4.35Å; W334-I337 HydrophobicContact CD2-CD1 4.19Å; W334-I337 HydrophobicContact CE3-CD1 3.43Å; W334-I337 VanDerWaalsContact CE3-CD1 3.43Å; W334-I337 HydrophobicContact CZ3-CD1 4.02Å; W334-I337 PolarHBondContact O-N 2.76Å
335S66.1Low75.7Confident46 Ų4651 Ų5132%0.32226%0.255SS..THydrogen-bonded Turntrans-71-2.2-171.3-167.90000115.5R333R333-S335 VanDerWaalsContact C-N 3.33Å
336M73.8Confident75.3Confident60 Ų6046.2 Ų46.230%0.29624%0.236SC..THydrogen-bonded Turntrans-118.211.8179.6-164.7-179.6-93.200112.6M147 I150 W334 D338 V339 F340M147-M336 HydrophobicContact CE-CB 3.93Å; M147-M336 HydrophobicContact CE-CE 3.75Å; M147-M336 HydrophobicContact CE-CG 4.13Å; M147-M336 HydrophobicContact CE-SD 3.17Å; M147-M336 WeakPolarHBondContact CE-SD 3.22Å; M147-M336 HydrophobicContact SD-CB 3.61Å; M147-M336 HydrophobicContact SD-CG 3.96Å; M147-M336 HydrophobicContact SD-SD 3.45Å; I150-M336 HydrophobicContact CD1-CB 4.14Å; W334-M336 PolarHBondContact O-N 3.18Å; W334-M336 VanDerWaalsContact O-N 3.1Å; M336-D338 VanDerWaalsContact C-OD1 3.24Å; M336-D338 WeakPolarHBondContact CA-OD1 3.49Å; M336-D338 PolarHBondContact O-N 3.28Å; M336-V339 HydrophobicContact CG-CB 3.91Å; M336-V339 HydrophobicContact CG-CG1 4.47Å; M336-V339 HydrophobicContact CG-CG2 4.23Å; M336-V339 PolarHBondContact O-N 3.04Å; M336-F340 PolarHBondContact O-N 3.19Å
337I75.6Confident75.3Confident12 Ų1240.9 Ų40.96%0.06221%0.212CC..Hα-helixtrans-58.8-35176.8-89.7165.8000111.6I150 V287 A291 W334 F340 V341I150-I337 HydrophobicContact CB-CG1 4.35Å; I150-I337 HydrophobicContact CD1-CG1 4.28Å; I150-I337 HydrophobicContact CG1-CG1 4.08Å; I150-I337 HydrophobicContact CG2-CG1 3.61Å; V287-I337 HydrophobicContact CG1-CG2 4.14Å; A291-I337 HydrophobicContact CB-CB 3.8Å; A291-I337 HydrophobicContact CB-CD1 4.47Å; A291-I337 HydrophobicContact CB-CG2 3.53Å; W334-I337 HydrophobicContact CB-CD1 4.35Å; W334-I337 HydrophobicContact CD2-CD1 4.19Å; W334-I337 HydrophobicContact CE3-CD1 3.43Å; W334-I337 VanDerWaalsContact CE3-CD1 3.43Å; W334-I337 HydrophobicContact CZ3-CD1 4.02Å; W334-I337 PolarHBondContact O-N 2.76Å; I337-F340 WeakPolarHBondContact O-CB 3.37Å; I337-F340 PolarHBondContact O-N 3.31Å; I337-V341 HydrophobicContact CG2-CG2 4.12Å; I337-V341 VanDerWaalsContact O-CG2 3.3Å; I337-V341 WeakPolarHBondContact O-CG2 3.37Å; I337-V341 PolarHBondContact O-N 3.16Å
338D73.2Confident75Confident36 Ų3637.8 Ų37.819%0.19319%0.194CC..Hα-helixtrans-57.7-51.9179.159.3-21.4000112.8S292 M336 F340 V341 I342S292-D338 WeakPolarHBondContact OG-CB 3.41Å; M336-D338 VanDerWaalsContact C-OD1 3.24Å; M336-D338 WeakPolarHBondContact CA-OD1 3.49Å; M336-D338 PolarHBondContact O-N 3.28Å; D338-F340 VanDerWaalsContact C-N 3.26Å; D338-F340 PolarHBondContact O-N 3.31Å; D338-V341 PolarHBondContact O-N 3.15Å; D338-I342 WeakPolarHBondContact O-CD1 2.93Å; D338-I342 WeakPolarHBondContact O-CG1 3.27Å; D338-I342 PolarHBondContact O-N 2.67Å
339V73.1Confident74.3Confident38 Ų3837.2 Ų37.223%0.2319%0.19CC..Hα-helixtrans-60.5-39.6177.9169.70000110.8L99 M336 A343L99-V339 HydrophobicContact CD1-CG1 3.63Å; L99-V339 HydrophobicContact CD1-CG2 4.49Å; L99-V339 HydrophobicContact CG-CG1 4.03Å; M336-V339 HydrophobicContact CG-CB 3.91Å; M336-V339 HydrophobicContact CG-CG1 4.47Å; M336-V339 HydrophobicContact CG-CG2 4.23Å; M336-V339 PolarHBondContact O-N 3.04Å; V339-A343 VanDerWaalsContact O-CB 3.27Å; V339-A343 WeakPolarHBondContact O-CB 3.32Å; V339-A343 PolarHBondContact O-N 2.59Å
340F76.1Confident73.9Confident16 Ų1638 Ų387%0.0719%0.189CC..Hα-helixtrans-64.6-47.4176.1-179.3-95.4000111.8F70 F103 V107 I150 F151 M336 I337 D338 A343 V344F70-F340 AromaticContact CE1-CZ 3.98Å; F70-F340 HydrophobicContact CE1-CZ 3.98Å; F70-F340 AromaticContact CZ-CZ 3.82Å; F70-F340 HydrophobicContact CZ-CZ 3.82Å; F103-F340 HydrophobicContact CD2-CD2 4.16Å; F103-F340 AromaticContact CE2-CD2 3.36Å; F103-F340 HydrophobicContact CE2-CD2 3.36Å; F103-F340 AromaticContact CE2-CE2 3.5Å; F103-F340 HydrophobicContact CE2-CE2 3.5Å; F103-F340 HydrophobicContact CE2-CG 4.38Å; F103-F340 HydrophobicContact CZ-CD2 4.05Å; F103-F340 AromaticContact CZ-CE2 3.7Å; F103-F340 HydrophobicContact CZ-CE2 3.7Å; V107-F340 HydrophobicContact CG1-CE2 4.27Å; V107-F340 HydrophobicContact CG2-CD2 4.16Å; V107-F340 HydrophobicContact CG2-CE2 4.46Å; I150-F340 HydrophobicContact CG2-CB 4.14Å; I150-F340 HydrophobicContact CG2-CD1 4.35Å; I150-F340 HydrophobicContact CG2-CG 4.14Å; F151-F340 HydrophobicContact CD2-CE2 4.47Å; M336-F340 PolarHBondContact O-N 3.19Å; I337-F340 WeakPolarHBondContact O-CB 3.37Å; I337-F340 PolarHBondContact O-N 3.31Å; D338-F340 VanDerWaalsContact C-N 3.26Å; D338-F340 PolarHBondContact O-N 3.31Å; F340-A343 PolarHBondContact O-N 2.89Å; F340-V344 HydrophobicContact CD1-CG2 4.36Å; F340-V344 HydrophobicContact CE1-CG2 3.96Å; F340-V344 HydrophobicContact CE2-CG2 4.42Å; F340-V344 HydrophobicContact CZ-CG2 3.98Å; F340-V344 WeakPolarHBondContact O-CG2 3.23Å; F340-V344 PolarHBondContact O-N 3.26Å
341V75.6Confident73.7Confident31 Ų3134 Ų3419%0.18817%0.173CC..Hα-helixtrans-64-43.7179.5170.60000111.3I288 I337 D338 V344 L345I288-V341 HydrophobicContact CD1-CG1 4.14Å; I288-V341 HydrophobicContact CG1-CG1 4.25Å; I337-V341 HydrophobicContact CG2-CG2 4.12Å; I337-V341 VanDerWaalsContact O-CG2 3.3Å; I337-V341 WeakPolarHBondContact O-CG2 3.37Å; I337-V341 PolarHBondContact O-N 3.16Å; D338-V341 PolarHBondContact O-N 3.15Å; V341-V344 PolarHBondContact O-N 2.79Å; V341-L345 HydrophobicContact CG1-CD1 3.68Å; V341-L345 HydrophobicContact CG1-CG 4.15Å; V341-L345 WeakPolarHBondContact O-CB 3.37Å; V341-L345 WeakPolarHBondContact O-CG 2.99Å; V341-L345 PolarHBondContact O-N 2.84Å
342I74.7Confident73.1Confident24 Ų2434.6 Ų34.612%0.12319%0.187CC..Hα-helixtrans-63.7-43177.6-68.6157.9000111I255 D338 V344 L345 S346 P359I255-I342 HydrophobicContact CD1-CD1 3.38Å; I255-I342 HydrophobicContact CG1-CD1 3.58Å; I255-I342 HydrophobicContact CG2-CD1 4.4Å; D338-I342 WeakPolarHBondContact O-CD1 2.93Å; D338-I342 WeakPolarHBondContact O-CG1 3.27Å; D338-I342 PolarHBondContact O-N 2.67Å; I342-V344 PolarHBondContact O-N 3.09Å; I342-L345 PolarHBondContact O-N 3.47Å; I342-S346 VanDerWaalsContact O-CB 3.25Å; I342-S346 WeakPolarHBondContact O-CB 3.35Å; I342-S346 PolarHBondContact O-N 3.3Å; I342-S346 PolarHBondContact O-OG 3.45Å; I342-P359 HydrophobicContact CG2-CB 4.42Å
343A78.1Confident72.5Confident0 Ų036.7 Ų36.70%021%0.208CC..Hα-helixtrans-57.9-48.4175.700000111.2I87 L91 L99 F103 V339 F340 S346 A347I87-A343 HydrophobicContact CG2-CB 3.77Å; L91-A343 HydrophobicContact CD1-CB 3.85Å; L99-A343 HydrophobicContact CD2-CB 4.43Å; F103-A343 HydrophobicContact CD2-CB 3.85Å; F103-A343 HydrophobicContact CE2-CB 4.07Å; V339-A343 VanDerWaalsContact O-CB 3.27Å; V339-A343 WeakPolarHBondContact O-CB 3.32Å; V339-A343 PolarHBondContact O-N 2.59Å; F340-A343 PolarHBondContact O-N 2.89Å; A343-S346 PolarHBondContact O-OG 2.97Å; A343-A347 VanDerWaalsContact O-CB 3.32Å; A343-A347 WeakPolarHBondContact O-CB 2.85Å; A343-A347 PolarHBondContact O-N 2.94Å
344V78.2Confident72.4Confident17 Ų1737.7 Ų37.710%0.10322%0.219CC..Hα-helixtrans-63.7-48177.71750000111.6F70 V71 I87 F340 V341 I342 A347 L348F70-V344 HydrophobicContact CE1-CG2 4.13Å; V71-V344 HydrophobicContact CG2-CG1 4.04Å; I87-V344 HydrophobicContact CD1-CG2 3.8Å; F340-V344 HydrophobicContact CD1-CG2 4.36Å; F340-V344 HydrophobicContact CE1-CG2 3.96Å; F340-V344 HydrophobicContact CE2-CG2 4.42Å; F340-V344 HydrophobicContact CZ-CG2 3.98Å; F340-V344 WeakPolarHBondContact O-CG2 3.23Å; F340-V344 PolarHBondContact O-N 3.26Å; V341-V344 PolarHBondContact O-N 2.79Å; I342-V344 PolarHBondContact O-N 3.09Å; V344-A347 PolarHBondContact O-N 3.34Å; V344-L348 VanDerWaalsContact O-CB 3.22Å; V344-L348 WeakPolarHBondContact O-CB 3.27Å; V344-L348 PolarHBondContact O-N 2.88Å
345L76.1Confident72.3Confident49 Ų4936.6 Ų36.626%0.25722%0.218SC..Hα-helixtrans-65-44.3-178.2-74175.7000112.8V341 I342 A347 L348 V349V341-L345 HydrophobicContact CG1-CD1 3.68Å; V341-L345 HydrophobicContact CG1-CG 4.15Å; V341-L345 WeakPolarHBondContact O-CB 3.37Å; V341-L345 WeakPolarHBondContact O-CG 2.99Å; V341-L345 PolarHBondContact O-N 2.84Å; I342-L345 PolarHBondContact O-N 3.47Å; L345-A347 PolarHBondContact O-N 3.28Å; L345-L348 PolarHBondContact O-N 2.88Å; L345-V349 PolarHBondContact O-N 3.11Å
346S74.9Confident72.4Confident3 Ų334.6 Ų34.62%0.02120%0.204CC..Hα-helixtrans-62-30.2178.264.40000112.5I342 A343 R350 I357I342-S346 VanDerWaalsContact O-CB 3.25Å; I342-S346 WeakPolarHBondContact O-CB 3.35Å; I342-S346 PolarHBondContact O-N 3.3Å; I342-S346 PolarHBondContact O-OG 3.45Å; A343-S346 PolarHBondContact O-OG 2.97Å; S346-R350 WeakPolarHBondContact O-CD 3.14Å; S346-R350 VanDerWaalsContact O-CG 3.3Å; S346-R350 WeakPolarHBondContact O-CG 3.27Å; S346-I357 WeakPolarHBondContact CA-O 3.42Å; S346-I357 VanDerWaalsContact CB-O 3.28Å; S346-I357 WeakPolarHBondContact CB-O 3.41Å
347A76.9Confident72.3Confident6 Ų632.4 Ų32.45%0.0519%0.194CC..Hα-helixtrans-86.4-31.9-179.900000112.6I82 I87 V90 A343 V344 L345I82-A347 HydrophobicContact CD1-CB 3.21Å; I82-A347 WeakPolarHBondContact CD1-O 3.31Å; I87-A347 HydrophobicContact CB-CB 4.35Å; I87-A347 HydrophobicContact CG1-CB 4.12Å; I87-A347 HydrophobicContact CG2-CB 4.37Å; V90-A347 HydrophobicContact CB-CB 3.95Å; V90-A347 HydrophobicContact CG1-CB 4.19Å; V90-A347 HydrophobicContact CG2-CB 3.93Å; A343-A347 VanDerWaalsContact O-CB 3.32Å; A343-A347 WeakPolarHBondContact O-CB 2.85Å; A343-A347 PolarHBondContact O-N 2.94Å; V344-A347 PolarHBondContact O-N 3.34Å; L345-A347 PolarHBondContact O-N 3.28Å
348L75.7Confident72.1Confident12 Ų1235 Ų356%0.06320%0.203CC..Hα-helixtrans-78-41.8178.6-175.7112.6000113.3V71 M73 S80 I82 V344 L345 R350V71-L348 HydrophobicContact CB-CD1 3.54Å; V71-L348 HydrophobicContact CG1-CD1 3.31Å; M73-L348 HydrophobicContact CB-CD1 4.1Å; M73-L348 HydrophobicContact CB-CD2 3.8Å; M73-L348 HydrophobicContact CB-CG 4.01Å; M73-L348 HydrophobicContact CE-CD2 4.23Å; M73-L348 HydrophobicContact CG-CD2 4.18Å; M73-L348 HydrophobicContact SD-CD2 3.47Å; M73-L348 WeakPolarHBondContact SD-CD2 3.37Å; M73-L348 HydrophobicContact SD-CG 4.41Å; S80-L348 PolarHBondContact OG-O 3.43Å; I82-L348 HydrophobicContact CG2-CB 4.49Å; I82-L348 HydrophobicContact CG2-CD1 4.07Å; V344-L348 VanDerWaalsContact O-CB 3.22Å; V344-L348 WeakPolarHBondContact O-CB 3.27Å; V344-L348 PolarHBondContact O-N 2.88Å; L345-L348 PolarHBondContact O-N 2.88Å; L348-R350 PolarHBondContact O-N 3.37Å
349V70.8Confident71.8Confident8 Ų833.8 Ų33.85%0.04820%0.197CC..  trans-93.974.8-176.9-1710000108.9M73 L345 M355 S356 I357M73-V349 HydrophobicContact CE-CG2 4.15Å; M73-V349 HydrophobicContact SD-CG2 4.33Å; L345-V349 PolarHBondContact O-N 3.11Å; V349-M355 HydrophobicContact CG1-CB 4.35Å; V349-M355 HydrophobicContact CG1-CE 4.29Å; V349-M355 HydrophobicContact CG1-CG 3.75Å; V349-M355 HydrophobicContact CG1-SD 3.85Å; V349-S356 CarbonylContact O-C 3.33Å; V349-S356 VanDerWaalsContact O-CA 3.24Å; V349-S356 WeakPolarHBondContact O-CA 3.1Å; V349-I357 HydrophobicContact CB-CB 4.31Å; V349-I357 HydrophobicContact CB-CD1 3.72Å; V349-I357 HydrophobicContact CB-CG1 3.9Å; V349-I357 HydrophobicContact CG1-CD1 3.9Å; V349-I357 HydrophobicContact CG1-CG1 3.88Å; V349-I357 HydrophobicContact CG2-CD1 3.73Å; V349-I357 HydrophobicContact CG2-CG1 4.47Å; V349-I357 PolarHBondContact O-N 3.03Å
350R69.7Low71.4Confident101 Ų10132.6 Ų32.638%0.38119%0.191SC..BIsolated β-bridgetrans-129.871.5172.1-66.9-178.276.2-157.410.5110.3E94 S346 L348 G352E94-R350 IonicContact OE1-CZ 3.75Å; E94-R350 IonicContact OE1-NE 3.27Å; E94-R350 IonicContact OE1-NH2 3.43Å; E94-R350 PolarHBondContact OE1-NH2 3.08Å; S346-R350 WeakPolarHBondContact O-CD 3.14Å; S346-R350 VanDerWaalsContact O-CG 3.3Å; S346-R350 WeakPolarHBondContact O-CG 3.27Å; L348-R350 PolarHBondContact O-N 3.37Å; R350-G352 PolarHBondContact O-N 3.26Å
351M68.9Low70.5Confident30 Ų3038.5 Ų38.515%0.14822%0.221CC..  trans-89.940176.7-63.7-171156.400111.6M73 V75 V78 G353 L354 M355M73-M351 HydrophobicContact CE-CE 3.88Å; V75-M351 HydrophobicContact CB-CE 3.97Å; V78-M351 HydrophobicContact CB-CE 3.7Å; V78-M351 HydrophobicContact CB-SD 4.42Å; V78-M351 HydrophobicContact CG1-CE 3.76Å; V78-M351 HydrophobicContact CG1-SD 4.48Å; V78-M351 WeakPolarHBondContact O-CE 3.47Å; M351-G353 PolarHBondContact O-N 2.86Å; M351-L354 HydrophobicContact CB-CB 4.15Å; M351-L354 WeakPolarHBondContact O-CB 3.25Å; M351-L354 PolarHBondContact O-N 2.73Å; M351-L354 VanDerWaalsContact O-N 3.14Å; M351-M355 PolarHBondContact N-O 2.65Å
352G65.4Low69Low52 Ų5237.3 Ų37.354%0.53622%0.215SC..THydrogen-bonded Turntrans55-131.3-175.800000112.2R350 L354R350-G352 PolarHBondContact O-N 3.26Å; G352-L354 PolarHBondContact O-N 3.26Å
353G59.6Low67.2Low63 Ų6338.9 Ų38.965%0.64923%0.231SC*.THydrogen-bonded Turntrans-73.2-2.8179.600000115.7L261 M351L261-G353 VanDerWaalsContact CA-O 3.3Å; L261-G353 WeakPolarHBondContact CA-O 3.34Å; L261-G353 PolarHBondContact N-O 2.82Å; M351-G353 PolarHBondContact O-N 2.86Å
354L67.4Low65.3Low102 Ų10245 Ų4553%0.53426%0.264SS..SBendtrans-78.8-59178.3-71.9154.8000111L260 L261 M351 G352L260-L354 WeakPolarHBondContact CA-O 3.35Å; L260-L354 WeakPolarHBondContact CD1-O 3.22Å; L261-L354 HydrophobicContact CD2-CD2 4.27Å; L261-L354 PolarHBondContact N-O 2.91Å; M351-L354 HydrophobicContact CB-CB 4.15Å; M351-L354 WeakPolarHBondContact O-CB 3.25Å; M351-L354 PolarHBondContact O-N 2.73Å; M351-L354 VanDerWaalsContact O-N 3.14Å; G352-L354 PolarHBondContact O-N 3.26Å
355M69Low63.6Low63 Ų6351.4 Ų51.431%0.3130%0.296SS..EExtended strand (participates in β ladder)trans-152.5123.7-179-168.3-178.9-172.400109.3T258 D259 L260 V349 M351T258-M355 HydrophobicContact CG2-CE 3.89Å; T258-M355 HydrophobicContact CG2-CG 4.39Å; D259-M355 CarbonylContact O-C 3.56Å; D259-M355 VanDerWaalsContact O-CA 3.26Å; D259-M355 WeakPolarHBondContact O-CA 3.47Å; L260-M355 HydrophobicContact CD1-CB 3.86Å; L260-M355 HydrophobicContact CD1-CG 3.76Å; L260-M355 HydrophobicContact CD1-SD 4.25Å; V349-M355 HydrophobicContact CG1-CB 4.35Å; V349-M355 HydrophobicContact CG1-CE 4.29Å; V349-M355 HydrophobicContact CG1-CG 3.75Å; V349-M355 HydrophobicContact CG1-SD 3.85Å; M351-M355 PolarHBondContact N-O 2.65Å
356S68.5Low62.2Low4 Ų456 Ų563%0.02832%0.315CS..EExtended strand (participates in β ladder)trans-137141.3172.348.70000111.7T258 D259 V349 Y358T258-S356 CarbonylContact C-O 3.58Å; T258-S356 WeakPolarHBondContact CA-O 3.22Å; D259-S356 PolarHBondContact N-O 3.22Å; D259-S356 PolarHBondContact O-N 3.4Å; V349-S356 CarbonylContact O-C 3.33Å; V349-S356 VanDerWaalsContact O-CA 3.24Å; V349-S356 WeakPolarHBondContact O-CA 3.1Å; S356-Y358 WeakPolarHBondContact CB-OH 3.36Å; S356-Y358 WeakPolarHBondContact OG-CE2 3.33Å; S356-Y358 PolarHBondContact OG-OH 2.99Å
357I70.1Confident61.4Low14 Ų1461.2 Ų61.27%0.07234%0.339CS..EExtended strand (participates in β ladder)trans-112.8119.9177.2-63.9175.1000108.7M256 T258 S346 V349M256-I357 HydrophobicContact CB-CG2 4.23Å; M256-I357 HydrophobicContact CE-CD1 4Å; M256-I357 HydrophobicContact CE-CG1 4.26Å; M256-I357 HydrophobicContact CE-CG2 3.71Å; T258-I357 HydrophobicContact CG2-CG1 4.17Å; S346-I357 WeakPolarHBondContact CA-O 3.42Å; S346-I357 VanDerWaalsContact CB-O 3.28Å; S346-I357 WeakPolarHBondContact CB-O 3.41Å; V349-I357 HydrophobicContact CB-CB 4.31Å; V349-I357 HydrophobicContact CB-CD1 3.72Å; V349-I357 HydrophobicContact CB-CG1 3.9Å; V349-I357 HydrophobicContact CG1-CD1 3.9Å; V349-I357 HydrophobicContact CG1-CG1 3.88Å; V349-I357 HydrophobicContact CG2-CD1 3.73Å; V349-I357 HydrophobicContact CG2-CG1 4.47Å; V349-I357 PolarHBondContact O-N 3.03Å
358Y71.6Confident61Low65 Ų6561.6 Ų61.626%0.25534%0.343SS..EExtended strand (participates in β ladder)trans-107.8144.4174.7-55.1-84.1000109.8E94 M256 V257 D259 S356E94-Y358 HydrophobicContact CG-CD1 4.35Å; E94-Y358 HydrophobicContact CG-CE1 4.44Å; E94-Y358 WeakPolarHBondContact OE2-CE1 3.46Å; M256-Y358 CarbonylContact C-O 3.58Å; M256-Y358 WeakPolarHBondContact CA-O 3.28Å; V257-Y358 PolarHBondContact N-O 3.02Å; V257-Y358 PolarHBondContact O-N 3Å; D259-Y358 HydrophobicContact CB-CD2 4.49Å; D259-Y358 HydrophobicContact CB-CE2 3.97Å; S356-Y358 WeakPolarHBondContact CB-OH 3.36Å; S356-Y358 WeakPolarHBondContact OG-CE2 3.33Å; S356-Y358 PolarHBondContact OG-OH 2.99Å
359P67.4Low61.5Low12 Ų1261.9 Ų61.98%0.07835%0.346CS..EExtended strand (participates in β ladder)trans-55.4150.2161.8-14.827.5000108.8L91 Y96 I342L91-P359 HydrophobicContact CD2-CG 3.88Å; Y96-P359 HydrophobicContact CD1-CB 3.81Å; Y96-P359 HydrophobicContact CD1-CG 4.17Å; Y96-P359 HydrophobicContact CD2-CB 3.88Å; Y96-P359 HydrophobicContact CD2-CG 3.44Å; Y96-P359 VanDerWaalsContact CD2-CG 3.44Å; Y96-P359 HydrophobicContact CE1-CB 3.76Å; Y96-P359 HydrophobicContact CE1-CG 4.42Å; Y96-P359 HydrophobicContact CE2-CB 3.82Å; Y96-P359 HydrophobicContact CE2-CG 3.73Å; Y96-P359 HydrophobicContact CG-CB 3.89Å; Y96-P359 HydrophobicContact CG-CG 3.71Å; Y96-P359 PolarHBondContact OH-O 3.48Å; I342-P359 HydrophobicContact CG2-CB 4.42Å
360A64.6Low62.3Low12 Ų1264.9 Ų64.910%0.09936%0.36CS..  trans-126.8126.2174.200000108.9P254 I255 V257P254-A360 HydrophobicContact CB-CB 4.29Å; P254-A360 CarbonylContact O-C 3.58Å; P254-A360 VanDerWaalsContact O-CB 3.27Å; P254-A360 WeakPolarHBondContact O-CB 3.16Å; I255-A360 PolarHBondContact O-N 3.5Å; V257-A360 HydrophobicContact CG2-CB 3.71Å
361M56.3Low63.4Low141 Ų14160.1 Ų60.170%0.69534%0.342SS*.  trans-108.182.8171.1-73.1-68.5-145.800105.4Y96 A363Y96-M361 HydrophobicContact CD1-CG 4.45Å; Y96-M361 HydrophobicContact CE1-CG 3.94Å; M361-A363 PolarHBondContact O-N 3.23Å
362G44.1Very low64.6Low6 Ų659.7 Ų59.76%0.06234%0.341CS..  trans-37.4112.8-15400000117.3L364G362-L364 WeakPolarHBondContact O-CB 3.05Å; G362-L364 PolarHBondContact O-N 3.46Å
363A37.4Very low66Low57 Ų5757.2 Ų57.247%0.47132%0.316SS..SBendtrans43.5-3.7152.900000121.1M361 Q367M361-A363 PolarHBondContact O-N 3.23Å; A363-Q367 WeakPolarHBondContact O-CG 3.48Å
364L39.7Very low67.7Low129 Ų12956.1 Ų56.168%0.67529%0.294SS*.  trans-125.685.1-170.5-69.3151000103.6L253 G362L253-L364 HydrophobicContact CD2-CD1 4.19Å; G362-L364 WeakPolarHBondContact O-CB 3.05Å; G362-L364 PolarHBondContact O-N 3.46Å
365I41.2Very low69Low151 Ų15151.6 Ų51.677%0.77427%0.271SS*.SBend-157.65.592.3-82.8145.7000112.3
366H48Very low70Confident145 Ų14552.5 Ų52.567%0.67129%0.288SS*.  trans-141.641.4-173.5-73.6-71.2000115.8
367Q58.1Low70.8Confident113 Ų11356.8 Ų56.853%0.52831%0.311SS..  trans-82.8122.1167.9-67.7-174.9-19.300109.5A363A363-Q367 WeakPolarHBondContact O-CG 3.48Å
368G67.8Low71.7Confident13 Ų1357.2 Ų57.213%0.13432%0.316CS..  trans-70.1177.1178.500000112.8L416G368-L416 CarbonylContact C-O 3.58Å; G368-L416 WeakPolarHBondContact CA-O 3.4Å
369P85.4Confident72.3Confident18 Ų1859.6 Ų59.612%0.11733%0.33CS..  trans-68.6136.4-169.429.2-35.4000111.9L416 E421 L424P369-L416 HydrophobicContact CG-CB 3.99Å; P369-L416 HydrophobicContact CG-CD1 4.28Å; P369-L416 PolarHBondContact O-N 2.99Å; P369-E421 HydrophobicContact CG-CB 3.92Å; P369-L424 HydrophobicContact CB-CD1 4.26Å; P369-L424 HydrophobicContact CG-CD1 4.11Å
370E88.2Confident73.1Confident71 Ų7161 Ų6133%0.33235%0.347SS..EExtended strand (participates in β ladder)trans-84.3143.1169-167.9177.4133.900110.3A414 R415E370-A414 CarbonylContact C-O 3.46Å; E370-A414 WeakPolarHBondContact CA-O 3.45Å; E370-R415 IonicContact OE2-CZ 3.13Å; E370-R415 IonicContact OE2-NH2 3.35Å; E370-R415 PolarHBondContact OE2-NH2 2.75Å
371V92Very high74.3Confident2 Ų261.1 Ų61.11%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-138.3137.7-179-169.10000108.6L373 A414 L416 L424 F430 Y468V371-L373 HydrophobicContact CG1-CD2 4.25Å; V371-A414 PolarHBondContact N-O 3.42Å; V371-A414 PolarHBondContact O-N 2.94Å; V371-L416 HydrophobicContact CG2-CD1 4.43Å; V371-L416 HydrophobicContact CG2-CG 4.44Å; V371-L424 HydrophobicContact CG2-CD1 3.44Å; V371-L424 VanDerWaalsContact CG2-CD1 3.44Å; V371-L424 HydrophobicContact CG2-CD2 3.97Å; V371-L424 HydrophobicContact CG2-CG 4.35Å; V371-F430 HydrophobicContact CG1-CZ 4.47Å; V371-Y468 HydrophobicContact CG1-CD2 3.28Å; V371-Y468 HydrophobicContact CG1-CE2 3.64Å; V371-Y468 HydrophobicContact CG1-CG 4.42Å
372T94.8Very high75.8Confident21 Ų2159.1 Ų59.113%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-100126.9173.7-53.70000109.8E411 I412 D466 K467 Y468T372-E411 HydrophobicContact CG2-CB 4.17Å; T372-E411 HydrophobicContact CG2-CG 4.47Å; T372-I412 CarbonylContact C-O 3.52Å; T372-D466 PolarHBondContact N-O 3.49Å; T372-K467 CarbonylContact O-C 3.49Å; T372-K467 VanDerWaalsContact O-CA 3.29Å; T372-K467 WeakPolarHBondContact O-CA 3.15Å; T372-Y468 PolarHBondContact O-N 2.98Å
373L95.2Very high77.8Confident0 Ų060.8 Ų60.80%035%0.352CS..EExtended strand (participates in β ladder)trans-106.9135.8176.9-55.3179.6000110V371 I388 I412 F430 I454 Y468 L470V371-L373 HydrophobicContact CG1-CD2 4.25Å; L373-I388 HydrophobicContact CD1-CD1 4.45Å; L373-I412 HydrophobicContact CB-CB 4.17Å; L373-I412 PolarHBondContact N-O 3.05Å; L373-I412 PolarHBondContact O-N 2.92Å; L373-F430 HydrophobicContact CD1-CD1 4.09Å; L373-F430 HydrophobicContact CD1-CG 4.4Å; L373-F430 HydrophobicContact CD2-CB 4.18Å; L373-F430 HydrophobicContact CD2-CD1 3.85Å; L373-F430 HydrophobicContact CD2-CD2 3.66Å; L373-F430 HydrophobicContact CD2-CE1 4.04Å; L373-F430 HydrophobicContact CD2-CE2 3.91Å; L373-F430 HydrophobicContact CD2-CG 3.64Å; L373-F430 HydrophobicContact CD2-CZ 4.09Å; L373-I454 HydrophobicContact CD1-CD1 3.86Å; L373-I454 HydrophobicContact CD1-CG2 4.36Å; L373-Y468 CarbonylContact C-O 3.56Å; L373-Y468 VanDerWaalsContact CA-O 3.23Å; L373-Y468 WeakPolarHBondContact CA-O 3.3Å; L373-L470 HydrophobicContact CB-CB 4.11Å; L373-L470 HydrophobicContact CD1-CD1 4.41Å
374I94.9Very high79.9Confident40 Ų4059.7 Ų59.721%0.20535%0.346CS..EExtended strand (participates in β ladder)trans-110128.2-179.4-64.8168.9000109.3H409 K467 Y468 L470I374-H409 HydrophobicContact CG2-CB 4.14Å; I374-K467 HydrophobicContact CD1-CB 4.39Å; I374-K467 HydrophobicContact CD1-CD 4.16Å; I374-Y468 PolarHBondContact N-O 2.85Å; I374-L470 PolarHBondContact O-N 3.4Å
375T94.1Very high82.1Confident7 Ų759.2 Ų59.24%0.04334%0.338CS..EExtended strand (participates in β ladder)trans-139.1156.5173.4179.90000111.2N377 A378 H409 V410 I412 L470T375-N377 VanDerWaalsContact C-N 3.35Å; T375-N377 VanDerWaalsContact CG2-O 3.28Å; T375-N377 WeakPolarHBondContact CG2-O 3.18Å; T375-N377 PolarHBondContact OG1-N 3.01Å; T375-N377 PolarHBondContact OG1-O 3.46Å; T375-A378 HydrophobicContact CG2-CB 4.38Å; T375-H409 CarbonylContact O-C 3.48Å; T375-H409 WeakPolarHBondContact O-CA 3.41Å; T375-V410 HydrophobicContact CG2-CB 4.07Å; T375-V410 PolarHBondContact N-O 2.9Å; T375-V410 PolarHBondContact O-N 2.94Å; T375-I412 HydrophobicContact CG2-CD1 3.65Å; T375-L470 HydrophobicContact CG2-CD2 4.34Å
376A90.1Very high84.4Confident82 Ų8252.3 Ų52.368%0.67830%0.303SS*.SBendtrans-72.3-29.4169.800000112.3
377N87Confident86.5Confident94 Ų9446.9 Ų46.950%0.50328%0.28SS..  trans-145.3133.3-178-172.3-3.5000111.1T375 E379T375-N377 VanDerWaalsContact C-N 3.35Å; T375-N377 VanDerWaalsContact CG2-O 3.28Å; T375-N377 WeakPolarHBondContact CG2-O 3.18Å; T375-N377 PolarHBondContact OG1-N 3.01Å; T375-N377 PolarHBondContact OG1-O 3.46Å; N377-E379 PolarHBondContact OD1-N 3.23Å
378A87.1Confident88.2Confident22 Ų2241.5 Ų41.518%0.18226%0.255CS..  trans-102.444.2179.700000112.5T375 G380 I381 V410 I412T375-A378 HydrophobicContact CG2-CB 4.38Å; A378-G380 PolarHBondContact O-N 2.85Å; A378-I381 HydrophobicContact CB-CB 4.45Å; A378-I381 PolarHBondContact O-N 2.78Å; A378-V410 HydrophobicContact CB-CB 4.31Å; A378-V410 HydrophobicContact CB-CG1 3.87Å; A378-V410 HydrophobicContact CB-CG2 4.38Å; A378-I412 HydrophobicContact CB-CD1 4.22Å
379E84.1Confident89.4Confident115 Ų11542.7 Ų42.754%0.53726%0.257SS..THydrogen-bonded Turntrans-62.4121-178.1-172.2-173.5-167.400111.7N377 I381 K434N377-E379 PolarHBondContact OD1-N 3.23Å; E379-I381 PolarHBondContact O-N 2.77Å; E379-K434 IonicContact OE2-NZ 3.67Å; E379-K434 PolarHBondContact OE2-NZ 3.14Å
380G84.5Confident89.7Confident42 Ų4242.5 Ų42.543%0.43326%0.256SS..THydrogen-bonded Turntrans74.92.4178.200000115.3A378A378-G380 PolarHBondContact O-N 2.85Å
381I89.8Confident89.6Confident14 Ų1449.1 Ų49.17%0.07228%0.278CS..  trans-90115.8177.7-59.5174.8000109.2A378 E379 T386 V398 I412 V432 I454 L470A378-I381 HydrophobicContact CB-CB 4.45Å; A378-I381 PolarHBondContact O-N 2.78Å; E379-I381 PolarHBondContact O-N 2.77Å; I381-T386 WeakPolarHBondContact CA-OG1 3.43Å; I381-T386 HydrophobicContact CG2-CG2 4.16Å; I381-V398 HydrophobicContact CG2-CG1 4.06Å; I381-V398 HydrophobicContact CG2-CG2 4.24Å; I381-I412 HydrophobicContact CD1-CD1 3.56Å; I381-I412 HydrophobicContact CG2-CD1 4.19Å; I381-I412 HydrophobicContact CG2-CG2 4.33Å; I381-V432 HydrophobicContact CD1-CG2 3.9Å; I381-I454 HydrophobicContact CD1-CD1 4.35Å; I381-L470 HydrophobicContact CD1-CD2 3.59Å
382E88.2Confident89.1Confident99 Ų9953.3 Ų53.346%0.46331%0.307SS..  trans-116128-179.6-69.9-175.8-152.300110.6G384 K385 T386E382-G384 PolarHBondContact O-N 2.88Å; E382-K385 HydrophobicContact CB-CB 4.16Å; E382-K385 PolarHBondContact O-N 2.89Å; E382-K385 VanDerWaalsContact OE2-CD 3.27Å; E382-K385 WeakPolarHBondContact OE2-CD 3.47Å; E382-K385 WeakPolarHBondContact OE2-CE 3.26Å; E382-K385 IonicContact OE2-NZ 3.43Å; E382-K385 PolarHBondContact OE2-NZ 3.18Å; E382-T386 PolarHBondContact N-OG1 3.2Å; E382-T386 PolarHBondContact O-N 3.17Å; E382-T386 PolarHBondContact O-OG1 2.95Å
383G86.2Confident88.8Confident42 Ų4256.8 Ų56.843%0.43333%0.328SS..THydrogen-bonded Turntrans-58.2132.6172.500000111.5K385G383-K385 VanDerWaalsContact C-N 3.26Å; G383-K385 PolarHBondContact O-N 2.79Å
384G81Confident88.6Confident33 Ų3360.7 Ų60.734%0.3435%0.349SS..THydrogen-bonded Turntrans83.2-20.5-176.900000115.3E382 V398E382-G384 PolarHBondContact O-N 2.88Å; G384-V398 PolarHBondContact N-O 3.49Å
385K85.8Confident88.5Confident119 Ų11959.2 Ų59.252%0.51734%0.342SS..THydrogen-bonded Turntrans-110.4-39.6-175.4-63.3-172.5-162.7157.20114.1L261 E382 G383 T387L261-K385 WeakPolarHBondContact O-CE 3.09Å; E382-K385 HydrophobicContact CB-CB 4.16Å; E382-K385 PolarHBondContact O-N 2.89Å; E382-K385 VanDerWaalsContact OE2-CD 3.27Å; E382-K385 WeakPolarHBondContact OE2-CD 3.47Å; E382-K385 WeakPolarHBondContact OE2-CE 3.26Å; E382-K385 IonicContact OE2-NZ 3.43Å; E382-K385 PolarHBondContact OE2-NZ 3.18Å; G383-K385 VanDerWaalsContact C-N 3.26Å; G383-K385 PolarHBondContact O-N 2.79Å; K385-T387 PolarHBondContact O-N 3.05Å
386T90.5Very high88.4Confident6 Ų658.9 Ų58.94%0.03734%0.34CS..  trans-70.2115.5-179.5-610000109.7I381 E382 V398 I454I381-T386 WeakPolarHBondContact CA-OG1 3.43Å; I381-T386 HydrophobicContact CG2-CG2 4.16Å; E382-T386 PolarHBondContact N-OG1 3.2Å; E382-T386 PolarHBondContact O-N 3.17Å; E382-T386 PolarHBondContact O-OG1 2.95Å; T386-V398 HydrophobicContact CG2-CG2 3.87Å; T386-V398 WeakPolarHBondContact O-CG2 3.44Å; T386-V398 PolarHBondContact O-N 3.05Å; T386-I454 HydrophobicContact CG2-CD1 4.22Å; T386-I454 HydrophobicContact CG2-CG1 4.12Å
387T92.6Very high88.4Confident31 Ų3157.6 Ų57.619%0.1932%0.324CS..EExtended strand (participates in β ladder)trans-87.8146.8178.347.60000110.7K385 K389 V397 Y453 I454K385-T387 PolarHBondContact O-N 3.05Å; T387-K389 WeakPolarHBondContact OG1-CE 3.39Å; T387-V397 HydrophobicContact CG2-CG2 4.45Å; T387-Y453 WeakPolarHBondContact O-CB 3.47Å; T387-I454 PolarHBondContact O-N 3.05Å
388I94Very high88.7Confident1 Ų153.1 Ų53.11%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-95126.3166.8-58.6-175.1000107.4L373 V395 G396 A414 L416 F430 I454 L456L373-I388 HydrophobicContact CD1-CD1 4.45Å; I388-V395 HydrophobicContact CB-CG2 4.29Å; I388-V395 HydrophobicContact CG2-CG2 3.76Å; I388-V395 VanDerWaalsContact O-CG2 3.3Å; I388-V395 WeakPolarHBondContact O-CG2 3.24Å; I388-V395 PolarHBondContact O-N 3.09Å; I388-G396 PolarHBondContact N-O 2.93Å; I388-G396 PolarHBondContact O-N 3.13Å; I388-A414 HydrophobicContact CD1-CB 3.37Å; I388-A414 HydrophobicContact CG1-CB 4.39Å; I388-L416 HydrophobicContact CB-CD2 4.38Å; I388-L416 HydrophobicContact CD1-CD2 4.08Å; I388-L416 HydrophobicContact CG2-CD2 4.18Å; I388-F430 HydrophobicContact CD1-CE1 4.33Å; I388-F430 HydrophobicContact CG2-CE1 4.29Å; I388-I454 CarbonylContact C-O 3.57Å; I388-I454 VanDerWaalsContact CA-O 3.31Å; I388-I454 WeakPolarHBondContact CA-O 3.29Å; I388-I454 HydrophobicContact CG1-CB 4.19Å; I388-I454 HydrophobicContact CG1-CG2 4.39Å; I388-I454 HydrophobicContact CG2-CG2 4.48Å; I388-L456 HydrophobicContact CG2-CB 3.84Å; I388-L456 HydrophobicContact CG2-CD1 4.28Å
389K92.9Very high88.7Confident37 Ų3756 Ų5616%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-119.4144.5-179-52.3-165.7-174.4-1310110.9T387 V393 D394 Y453 I454 E455 L456T387-K389 WeakPolarHBondContact OG1-CE 3.39Å; K389-V393 CarbonylContact C-O 3.56Å; K389-V393 WeakPolarHBondContact CA-O 3.44Å; K389-D394 VanDerWaalsContact CD-OD1 3.32Å; K389-D394 WeakPolarHBondContact CD-OD1 3.12Å; K389-D394 WeakPolarHBondContact CE-OD1 3.38Å; K389-D394 WeakPolarHBondContact CG-OD1 3.35Å; K389-D394 IonicContact NZ-OD1 3.94Å; K389-D394 PolarHBondContact NZ-OD1 2.75Å; K389-D394 IonicContact NZ-OD2 2.74Å; K389-Y453 HydrophobicContact CB-CD2 4.17Å; K389-Y453 HydrophobicContact CB-CE2 4.45Å; K389-Y453 HydrophobicContact CD-CD2 3.86Å; K389-Y453 HydrophobicContact CD-CE2 4.2Å; K389-Y453 HydrophobicContact CD-CG 4.15Å; K389-Y453 HydrophobicContact CG-CD2 3.93Å; K389-Y453 HydrophobicContact CG-CG 4.44Å; K389-I454 PolarHBondContact N-O 3.31Å; K389-E455 CarbonylContact O-C 3.54Å; K389-E455 VanDerWaalsContact O-CA 3.27Å; K389-E455 WeakPolarHBondContact O-CA 3.3Å; K389-L456 PolarHBondContact O-N 2.9Å
390S90.8Very high89Confident14 Ų1452.5 Ų52.510%0.09830%0.298CS..EExtended strand (participates in β ladder)trans-122.9122.9164.5-167.80000108.2S392 V393 L456S390-S392 VanDerWaalsContact C-N 3.26Å; S390-S392 PolarHBondContact O-N 2.83Å; S390-V393 PolarHBondContact N-O 3.21Å; S390-V393 PolarHBondContact O-N 3.27Å; S390-V393 VanDerWaalsContact O-N 3.07Å; S390-L456 VanDerWaalsContact CB-O 3.3Å; S390-L456 WeakPolarHBondContact CB-O 3.15Å; S390-L456 PolarHBondContact OG-O 3Å
391R85.5Confident89.4Confident211 Ų21152.5 Ų52.580%0.79629%0.294SS*.THydrogen-bonded Turntrans53.244.2-174.6-54.3177177.4171.4-0.3112.1V393R391-V393 PolarHBondContact O-N 3Å
392S81.6Confident89.4Confident90 Ų9054.9 Ų54.963%0.62931%0.309SS*.THydrogen-bonded Turntrans62.716.7-176.8-51.60000116.5S390S390-S392 VanDerWaalsContact C-N 3.26Å; S390-S392 PolarHBondContact O-N 2.83Å
393V90Very high89.6Confident94 Ų9455.4 Ų55.457%0.5731%0.314SS*.EExtended strand (participates in β ladder)trans-107.3130.7174.5-179.20000110.1K389 S390 R391 V395K389-V393 CarbonylContact C-O 3.56Å; K389-V393 WeakPolarHBondContact CA-O 3.44Å; S390-V393 PolarHBondContact N-O 3.21Å; S390-V393 PolarHBondContact O-N 3.27Å; S390-V393 VanDerWaalsContact O-N 3.07Å; R391-V393 PolarHBondContact O-N 3Å; V393-V395 PolarHBondContact O-N 2.82Å; V393-V395 VanDerWaalsContact O-N 3.17Å
394D90.8Very high89.8Confident82 Ų8253.8 Ų53.844%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-66.3111.2179.9-61.7-6.4000110.7K389 N417K389-D394 VanDerWaalsContact CD-OD1 3.32Å; K389-D394 WeakPolarHBondContact CD-OD1 3.12Å; K389-D394 WeakPolarHBondContact CE-OD1 3.38Å; K389-D394 WeakPolarHBondContact CG-OD1 3.35Å; K389-D394 IonicContact NZ-OD1 3.94Å; K389-D394 PolarHBondContact NZ-OD1 2.75Å; K389-D394 IonicContact NZ-OD2 2.74Å; D394-N417 PolarHBondContact O-ND2 3.47Å
395V92.1Very high90.2Very high8 Ų860.4 Ų60.45%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-110-6.9-179.5-64.70000113I388 V393 L416 N417 M420 L423I388-V395 HydrophobicContact CB-CG2 4.29Å; I388-V395 HydrophobicContact CG2-CG2 3.76Å; I388-V395 VanDerWaalsContact O-CG2 3.3Å; I388-V395 WeakPolarHBondContact O-CG2 3.24Å; I388-V395 PolarHBondContact O-N 3.09Å; V393-V395 PolarHBondContact O-N 2.82Å; V393-V395 VanDerWaalsContact O-N 3.17Å; V395-L416 HydrophobicContact CG2-CD2 4.3Å; V395-L416 CarbonylContact O-C 3.53Å; V395-L416 VanDerWaalsContact O-CA 3.26Å; V395-L416 WeakPolarHBondContact O-CA 3.48Å; V395-L416 WeakPolarHBondContact O-CB 3.43Å; V395-N417 PolarHBondContact O-N 2.88Å; V395-M420 HydrophobicContact CB-CG 4.19Å; V395-M420 HydrophobicContact CB-SD 4.47Å; V395-M420 HydrophobicContact CG1-CG 4.43Å; V395-M420 HydrophobicContact CG1-SD 4.07Å; V395-L423 HydrophobicContact CB-CD1 4.36Å; V395-L423 HydrophobicContact CG1-CD1 4.03Å
396G91.1Very high90.4Very high1 Ų159 Ų591%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-178.3179.6178.500000113.6I388 R415I388-G396 PolarHBondContact N-O 2.93Å; I388-G396 PolarHBondContact O-N 3.13Å; G396-R415 CarbonylContact C-O 3.57Å; G396-R415 WeakPolarHBondContact CA-O 3.47Å
397V91.3Very high90.1Very high55 Ų5564.9 Ų64.933%0.33335%0.353SS..EExtended strand (participates in β ladder)trans-137.2141.3179.1-173.60000109.5T387 E399 A414 R415T387-V397 HydrophobicContact CG2-CG2 4.45Å; V397-E399 PolarHBondContact O-N 2.75Å; V397-A414 WeakPolarHBondContact O-CA 3.39Å; V397-R415 PolarHBondContact N-O 2.96Å; V397-R415 PolarHBondContact O-N 3.47Å
398V92.3Very high89.9Confident0 Ų068 Ų680%037%0.372CS..EExtended strand (participates in β ladder)trans-69.3125.1170175.10000109I381 G384 T386 I412 A414 I454I381-V398 HydrophobicContact CG2-CG1 4.06Å; I381-V398 HydrophobicContact CG2-CG2 4.24Å; G384-V398 PolarHBondContact N-O 3.49Å; T386-V398 HydrophobicContact CG2-CG2 3.87Å; T386-V398 WeakPolarHBondContact O-CG2 3.44Å; T386-V398 PolarHBondContact O-N 3.05Å; V398-I412 HydrophobicContact CB-CG2 4.38Å; V398-I412 HydrophobicContact CG1-CG2 3.43Å; V398-I412 VanDerWaalsContact CG1-CG2 3.43Å; V398-I412 HydrophobicContact CG2-CG2 4.05Å; V398-A414 HydrophobicContact CG2-CB 4.31Å; V398-I454 HydrophobicContact CG2-CD1 3.73Å
399E88.7Confident89.7Confident82 Ų8269.9 Ų69.938%0.38338%0.381SS..EExtended strand (participates in β ladder)trans-85.2-45.7178.1-64.3-168.1147.200111.6V397 K413 R415V397-E399 PolarHBondContact O-N 2.75Å; E399-K413 PolarHBondContact N-O 3.49Å; E399-R415 HydrophobicContact CG-CB 4Å; E399-R415 WeakPolarHBondContact OE1-CB 3.48Å; E399-R415 VanDerWaalsContact OE1-CD 3.28Å; E399-R415 WeakPolarHBondContact OE1-CD 3.41Å; E399-R415 IonicContact OE1-CZ 3.36Å; E399-R415 IonicContact OE1-NE 3.78Å; E399-R415 PolarHBondContact OE1-NE 3.22Å; E399-R415 IonicContact OE1-NH2 3.67Å; E399-R415 IonicContact OE2-NE 3.61Å; E399-R415 IonicContact OE2-NH2 2.71Å
400S90.6Very high89.7Confident42 Ų4268.8 Ų68.829%0.29438%0.377SS..EExtended strand (participates in β ladder)trans-158.1150.3-17760.70000111.8I412 K413S400-I412 CarbonylContact O-C 3.57Å; S400-I412 WeakPolarHBondContact O-CA 3.49Å; S400-K413 PolarHBondContact N-O 2.94Å; S400-K413 PolarHBondContact O-N 2.78Å
401A91Very high90Very high42 Ų4270.2 Ų70.235%0.34738%0.382SS..EExtended strand (participates in β ladder)trans-118.3125.3168.400000109.2V410 I412A401-V410 HydrophobicContact CB-CG1 4.31Å; A401-I412 HydrophobicContact CB-CG1 3.94Å
402T91.6Very high90.4Very high64 Ų6460.2 Ų60.239%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-131.6134.7-176.746.10000109.7A404 V410 E411T402-A404 PolarHBondContact O-N 2.88Å; T402-V410 CarbonylContact O-C 3.59Å; T402-V410 WeakPolarHBondContact O-CG1 3.48Å; T402-E411 PolarHBondContact N-O 3.26Å; T402-E411 PolarHBondContact O-N 2.77Å; T402-E411 PolarHBondContact OG1-O 3.49Å
403L91.1Very high91Very high110 Ų11059.7 Ų59.758%0.57633%0.331SS*.EExtended strand (participates in β ladder)trans-61.6136.9167.8-84.8148.8000109.2L407 V410L403-L407 HydrophobicContact CB-CD2 4.21Å; L403-V410 HydrophobicContact CD2-CG2 4.15Å; L403-V410 HydrophobicContact CG-CG2 4.47Å
404A90.5Very high91.1Very high8 Ų855.2 Ų55.27%0.06630%0.304CS..  trans-63.7157.6171.800000110.6T402 D406 L407 H409 E411T402-A404 PolarHBondContact O-N 2.88Å; A404-D406 PolarHBondContact O-N 3.47Å; A404-D406 VanDerWaalsContact O-N 3.08Å; A404-L407 WeakPolarHBondContact O-CA 3.31Å; A404-L407 PolarHBondContact O-N 2.98Å; A404-H409 WeakPolarHBondContact CB-CE1 3.45Å; A404-H409 VanDerWaalsContact CB-NE2 3.29Å; A404-H409 WeakPolarHBondContact CB-NE2 3.29Å; A404-H409 WeakPolarHBondContact CB-O 3.4Å; A404-H409 PolarHBondContact N-O 3.27Å; A404-E411 HydrophobicContact CB-CG 4.46Å
405D89.3Confident91.1Very high172 Ų17254 Ų5492%0.9229%0.293SS*.THydrogen-bonded Turntrans-58.9-25.3-178.4-66.8-27.8000113.1L407D405-L407 VanDerWaalsContact C-N 3.34Å
406D90.4Very high91Very high90 Ų9053.8 Ų53.848%0.48129%0.292SS..THydrogen-bonded Turntrans-84.3-5.9176.56813.9000114.1A404 T408 H409A404-D406 PolarHBondContact O-N 3.47Å; A404-D406 VanDerWaalsContact O-N 3.08Å; D406-T408 HydrophobicContact CB-CG2 4.16Å; D406-T408 WeakPolarHBondContact O-CG2 2.94Å; D406-T408 PolarHBondContact O-N 2.69Å; D406-T408 VanDerWaalsContact O-N 3.12Å; D406-T408 WeakPolarHBondContact OD1-CB 3.5Å; D406-T408 PolarHBondContact OD1-N 2.91Å; D406-T408 PolarHBondContact OD1-OG1 3.37Å; D406-T408 PolarHBondContact OD2-OG1 3Å; D406-H409 IonicContact OD1-CE1 3.68Å; D406-H409 IonicContact OD1-ND1 2.88Å; D406-H409 PolarHBondContact OD1-ND1 2.77Å; D406-H409 IonicContact OD2-CE1 2.88Å; D406-H409 PolarHBondContact OD2-CE1 3.33Å; D406-H409 IonicContact OD2-ND1 3.42Å
407L84.4Confident90.8Very high129 Ų12957.6 Ų57.668%0.67531%0.312SS*.SBendtrans58.314.1-176.5-51.3175.5000114.7L403 A404 D405L403-L407 HydrophobicContact CB-CD2 4.21Å; A404-L407 WeakPolarHBondContact O-CA 3.31Å; A404-L407 PolarHBondContact O-N 2.98Å; D405-L407 VanDerWaalsContact C-N 3.34Å
408T88.1Confident90.3Very high95 Ų9558.2 Ų58.258%0.58332%0.318SS*.SBendtrans-90.9-24.3-177.368.30000113.3D406D406-T408 HydrophobicContact CB-CG2 4.16Å; D406-T408 WeakPolarHBondContact O-CG2 2.94Å; D406-T408 PolarHBondContact O-N 2.69Å; D406-T408 VanDerWaalsContact O-N 3.12Å; D406-T408 WeakPolarHBondContact OD1-CB 3.5Å; D406-T408 PolarHBondContact OD1-N 2.91Å; D406-T408 PolarHBondContact OD1-OG1 3.37Å; D406-T408 PolarHBondContact OD2-OG1 3Å
409H90.9Very high89.8Confident42 Ų4260.2 Ų60.219%0.19434%0.339CS..SBendtrans-144.6167.1-178.962.5-76.6000110.7I374 T375 A404 D406I374-H409 HydrophobicContact CG2-CB 4.14Å; T375-H409 CarbonylContact O-C 3.48Å; T375-H409 WeakPolarHBondContact O-CA 3.41Å; A404-H409 WeakPolarHBondContact CB-CE1 3.45Å; A404-H409 VanDerWaalsContact CB-NE2 3.29Å; A404-H409 WeakPolarHBondContact CB-NE2 3.29Å; A404-H409 WeakPolarHBondContact CB-O 3.4Å; A404-H409 PolarHBondContact N-O 3.27Å; D406-H409 IonicContact OD1-CE1 3.68Å; D406-H409 IonicContact OD1-ND1 2.88Å; D406-H409 PolarHBondContact OD1-ND1 2.77Å; D406-H409 IonicContact OD2-CE1 2.88Å; D406-H409 PolarHBondContact OD2-CE1 3.33Å; D406-H409 IonicContact OD2-ND1 3.42Å
410V92.8Very high89.8Confident14 Ų1459.5 Ų59.59%0.08534%0.337CS..EExtended strand (participates in β ladder)trans-111.6127.3177.1-1720000108.4T375 A378 A401 T402 L403 I412T375-V410 HydrophobicContact CG2-CB 4.07Å; T375-V410 PolarHBondContact N-O 2.9Å; T375-V410 PolarHBondContact O-N 2.94Å; A378-V410 HydrophobicContact CB-CB 4.31Å; A378-V410 HydrophobicContact CB-CG1 3.87Å; A378-V410 HydrophobicContact CB-CG2 4.38Å; A401-V410 HydrophobicContact CB-CG1 4.31Å; T402-V410 CarbonylContact O-C 3.59Å; T402-V410 WeakPolarHBondContact O-CG1 3.48Å; L403-V410 HydrophobicContact CD2-CG2 4.15Å; L403-V410 HydrophobicContact CG-CG2 4.47Å; V410-I412 HydrophobicContact CG1-CG1 4.24Å
411E95.3Very high89.5Confident44 Ų4463 Ų6321%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-93121170-64.9-165.1144.700109.6T372 T402 A404 K467T372-E411 HydrophobicContact CG2-CB 4.17Å; T372-E411 HydrophobicContact CG2-CG 4.47Å; T402-E411 PolarHBondContact N-O 3.26Å; T402-E411 PolarHBondContact O-N 2.77Å; T402-E411 PolarHBondContact OG1-O 3.49Å; A404-E411 HydrophobicContact CB-CG 4.46Å; E411-K467 IonicContact OE1-NZ 3.29Å; E411-K467 PolarHBondContact OE1-NZ 2.83Å
412I94.9Very high89.3Confident0 Ų068.9 Ų68.90%037%0.366CS..EExtended strand (participates in β ladder)trans-110.1113.5178.7-61.6164.1000108T372 L373 T375 A378 I381 V398 S400 A401 V410 L470T372-I412 CarbonylContact C-O 3.52Å; L373-I412 HydrophobicContact CB-CB 4.17Å; L373-I412 PolarHBondContact N-O 3.05Å; L373-I412 PolarHBondContact O-N 2.92Å; T375-I412 HydrophobicContact CG2-CD1 3.65Å; A378-I412 HydrophobicContact CB-CD1 4.22Å; I381-I412 HydrophobicContact CD1-CD1 3.56Å; I381-I412 HydrophobicContact CG2-CD1 4.19Å; I381-I412 HydrophobicContact CG2-CG2 4.33Å; V398-I412 HydrophobicContact CB-CG2 4.38Å; V398-I412 HydrophobicContact CG1-CG2 3.43Å; V398-I412 VanDerWaalsContact CG1-CG2 3.43Å; V398-I412 HydrophobicContact CG2-CG2 4.05Å; S400-I412 CarbonylContact O-C 3.57Å; S400-I412 WeakPolarHBondContact O-CA 3.49Å; A401-I412 HydrophobicContact CB-CG1 3.94Å; V410-I412 HydrophobicContact CG1-CG1 4.24Å; I412-L470 HydrophobicContact CD1-CD2 3.63Å
413K94.2Very high89.1Confident80 Ų8067.5 Ų67.535%0.34836%0.356SS..EExtended strand (participates in β ladder)trans-85.9126.4173.8-65.3-174.5175.5-170.20109.3E399 S400E399-K413 PolarHBondContact N-O 3.49Å; S400-K413 PolarHBondContact N-O 2.94Å; S400-K413 PolarHBondContact O-N 2.78Å
414A92.5Very high89Confident0 Ų062.5 Ų62.50%033%0.33CS..EExtended strand (participates in β ladder)trans-132.3146.717800000111.4E370 V371 I388 V397 V398E370-A414 CarbonylContact C-O 3.46Å; E370-A414 WeakPolarHBondContact CA-O 3.45Å; V371-A414 PolarHBondContact N-O 3.42Å; V371-A414 PolarHBondContact O-N 2.94Å; I388-A414 HydrophobicContact CD1-CB 3.37Å; I388-A414 HydrophobicContact CG1-CB 4.39Å; V397-A414 WeakPolarHBondContact O-CA 3.39Å; V398-A414 HydrophobicContact CG2-CB 4.31Å
415R90Very high89Confident57 Ų5764.6 Ų64.622%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-116.3122.7-179-172.9166.3-62.6-138-1.4110.3E370 G396 V397 E399E370-R415 IonicContact OE2-CZ 3.13Å; E370-R415 IonicContact OE2-NH2 3.35Å; E370-R415 PolarHBondContact OE2-NH2 2.75Å; G396-R415 CarbonylContact C-O 3.57Å; G396-R415 WeakPolarHBondContact CA-O 3.47Å; V397-R415 PolarHBondContact N-O 2.96Å; V397-R415 PolarHBondContact O-N 3.47Å; E399-R415 HydrophobicContact CG-CB 4Å; E399-R415 WeakPolarHBondContact OE1-CB 3.48Å; E399-R415 VanDerWaalsContact OE1-CD 3.28Å; E399-R415 WeakPolarHBondContact OE1-CD 3.41Å; E399-R415 IonicContact OE1-CZ 3.36Å; E399-R415 IonicContact OE1-NE 3.78Å; E399-R415 PolarHBondContact OE1-NE 3.22Å; E399-R415 IonicContact OE1-NH2 3.67Å; E399-R415 IonicContact OE2-NE 3.61Å; E399-R415 IonicContact OE2-NH2 2.71Å
416L90.6Very high88.9Confident3 Ų363.3 Ų63.32%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-82157.4173.1-56.9-176.6000111.1G368 P369 V371 I388 V395 M420 L424 L456G368-L416 CarbonylContact C-O 3.58Å; G368-L416 WeakPolarHBondContact CA-O 3.4Å; P369-L416 HydrophobicContact CG-CB 3.99Å; P369-L416 HydrophobicContact CG-CD1 4.28Å; P369-L416 PolarHBondContact O-N 2.99Å; V371-L416 HydrophobicContact CG2-CD1 4.43Å; V371-L416 HydrophobicContact CG2-CG 4.44Å; I388-L416 HydrophobicContact CB-CD2 4.38Å; I388-L416 HydrophobicContact CD1-CD2 4.08Å; I388-L416 HydrophobicContact CG2-CD2 4.18Å; V395-L416 HydrophobicContact CG2-CD2 4.3Å; V395-L416 CarbonylContact O-C 3.53Å; V395-L416 VanDerWaalsContact O-CA 3.26Å; V395-L416 WeakPolarHBondContact O-CA 3.48Å; V395-L416 WeakPolarHBondContact O-CB 3.43Å; L416-M420 HydrophobicContact CB-CB 4.06Å; L416-M420 HydrophobicContact CD1-CB 4.35Å; L416-L424 HydrophobicContact CD1-CD1 3.81Å; L416-L424 HydrophobicContact CD1-CD2 3.86Å; L416-L424 HydrophobicContact CD1-CG 3.79Å; L416-L456 HydrophobicContact CD1-CD1 4.29Å; L416-L456 HydrophobicContact CD2-CD1 4.33Å
417N86.8Confident88.7Confident80 Ų8060.7 Ų60.743%0.42831%0.31SS..PPolyproline II helixtrans-64.8152.8173.6-68.8-21.3000110.8D394 V395 G419 M420D394-N417 PolarHBondContact O-ND2 3.47Å; V395-N417 PolarHBondContact O-N 2.88Å; N417-G419 PolarHBondContact O-N 2.87Å; N417-M420 HydrophobicContact CB-CG 4.03Å; N417-M420 WeakPolarHBondContact O-CB 3.3Å; N417-M420 PolarHBondContact O-N 2.99Å; N417-M420 VanDerWaalsContact O-N 3.12Å
418S80.9Confident89Confident68 Ų6855 Ų5548%0.47628%0.281SS..THydrogen-bonded Turntrans-55.2132.1176.9176.90000111.1
419G82.3Confident89.1Confident42 Ų4251.5 Ų51.543%0.43326%0.26SS..THydrogen-bonded Turntrans87.9-8.6-17800000115.8N417 E421N417-G419 PolarHBondContact O-N 2.87Å; G419-E421 VanDerWaalsContact C-N 3.27Å; G419-E421 PolarHBondContact O-N 2.76Å
420M87.7Confident89.3Confident68 Ų6849.5 Ų49.534%0.33525%0.25SS..G310 helixtrans-83.43.1178.2-62-59.214200114V395 L416 N417 K422 L423V395-M420 HydrophobicContact CB-CG 4.19Å; V395-M420 HydrophobicContact CB-SD 4.47Å; V395-M420 HydrophobicContact CG1-CG 4.43Å; V395-M420 HydrophobicContact CG1-SD 4.07Å; L416-M420 HydrophobicContact CB-CB 4.06Å; L416-M420 HydrophobicContact CD1-CB 4.35Å; N417-M420 HydrophobicContact CB-CG 4.03Å; N417-M420 WeakPolarHBondContact O-CB 3.3Å; N417-M420 PolarHBondContact O-N 2.99Å; N417-M420 VanDerWaalsContact O-N 3.12Å; M420-K422 PolarHBondContact O-N 3.3Å; M420-K422 VanDerWaalsContact O-N 3.14Å; M420-L423 HydrophobicContact CB-CD1 4.11Å; M420-L423 HydrophobicContact CG-CD1 4.41Å; M420-L423 WeakPolarHBondContact O-CB 3.27Å; M420-L423 PolarHBondContact O-N 2.92Å; M420-L423 HydrophobicContact SD-CD1 3.78Å; M420-L423 HydrophobicContact SD-CG 4.49Å
421E85Confident89.2Confident116 Ų11649.8 Ų49.854%0.54225%0.25SC..G310 helixtrans-56.6-27.8174.364.7-173-174.200113.5P369 G419 L423 L424P369-E421 HydrophobicContact CG-CB 3.92Å; G419-E421 VanDerWaalsContact C-N 3.27Å; G419-E421 PolarHBondContact O-N 2.76Å; E421-L423 PolarHBondContact O-N 3.04Å; E421-L424 WeakPolarHBondContact O-CB 3.14Å; E421-L424 PolarHBondContact O-N 3.43Å; E421-L424 VanDerWaalsContact O-N 3.1Å
422K86.2Confident89Confident164 Ų16448 Ų4871%0.71324%0.242SC*.G310 helixtrans-68.6-11.8178-61.3177.9-177.5174.90113.5M420 L424 H425M420-K422 PolarHBondContact O-N 3.3Å; M420-K422 VanDerWaalsContact O-N 3.14Å; K422-L424 VanDerWaalsContact C-N 3.35Å; K422-H425 PolarHBondContact O-NE2 2.81Å
423L87.4Confident88.8Confident36 Ų3649 Ų4919%0.18825%0.248CC..G310 helixtrans-86.1-11.8175.2-56.5176.7000112V395 M420 E421 T428 L456 P458V395-L423 HydrophobicContact CB-CD1 4.36Å; V395-L423 HydrophobicContact CG1-CD1 4.03Å; M420-L423 HydrophobicContact CB-CD1 4.11Å; M420-L423 HydrophobicContact CG-CD1 4.41Å; M420-L423 WeakPolarHBondContact O-CB 3.27Å; M420-L423 PolarHBondContact O-N 2.92Å; M420-L423 HydrophobicContact SD-CD1 3.78Å; M420-L423 HydrophobicContact SD-CG 4.49Å; E421-L423 PolarHBondContact O-N 3.04Å; L423-T428 PolarHBondContact O-OG1 3.07Å; L423-L456 HydrophobicContact CB-CD2 3.87Å; L423-L456 HydrophobicContact CD1-CD2 4.25Å; L423-P458 HydrophobicContact CB-CB 4.2Å; L423-P458 HydrophobicContact CD2-CB 3.79Å; L423-P458 HydrophobicContact CD2-CG 4.25Å
424L89.9Confident88.3Confident4 Ų447.3 Ų47.32%0.02124%0.24CC..  trans-97.2107.5-175.8-62.6176.9000111.4P369 V371 L416 E421 K422 T428 F430 L456 K464 Y468P369-L424 HydrophobicContact CB-CD1 4.26Å; P369-L424 HydrophobicContact CG-CD1 4.11Å; V371-L424 HydrophobicContact CG2-CD1 3.44Å; V371-L424 VanDerWaalsContact CG2-CD1 3.44Å; V371-L424 HydrophobicContact CG2-CD2 3.97Å; V371-L424 HydrophobicContact CG2-CG 4.35Å; L416-L424 HydrophobicContact CD1-CD1 3.81Å; L416-L424 HydrophobicContact CD1-CD2 3.86Å; L416-L424 HydrophobicContact CD1-CG 3.79Å; E421-L424 WeakPolarHBondContact O-CB 3.14Å; E421-L424 PolarHBondContact O-N 3.43Å; E421-L424 VanDerWaalsContact O-N 3.1Å; K422-L424 VanDerWaalsContact C-N 3.35Å; L424-T428 HydrophobicContact CD2-CG2 4.4Å; L424-F430 HydrophobicContact CD2-CE2 4.39Å; L424-F430 HydrophobicContact CD2-CZ 3.85Å; L424-L456 HydrophobicContact CD2-CD1 4.39Å; L424-K464 HydrophobicContact CB-CG 4.17Å; L424-K464 HydrophobicContact CD1-CD 4.45Å; L424-K464 HydrophobicContact CD1-CG 4.43Å; L424-Y468 HydrophobicContact CD2-CE2 4.25Å
425H89.8Confident87.8Confident52 Ų5250.4 Ų50.424%0.24126%0.261CS..  trans-130.7174.8174.4-73-74.3000109.5K422 D427 T428 G459 G462 Y468K422-H425 PolarHBondContact O-NE2 2.81Å; H425-D427 WeakPolarHBondContact CB-OD1 3.26Å; H425-D427 PolarHBondContact O-N 3.11Å; H425-T428 PolarHBondContact N-OG1 2.92Å; H425-T428 WeakPolarHBondContact O-CB 3.31Å; H425-T428 PolarHBondContact O-N 2.74Å; H425-T428 PolarHBondContact O-OG1 2.76Å; H425-G459 PolarHBondContact CD2-O 2.78Å; H425-G462 PolarHBondContact ND1-O 3Å; H425-Y468 WeakPolarHBondContact O-CE1 3.06Å; H425-Y468 PolarHBondContact O-OH 3.18Å
426K86.9Confident87Confident145 Ų14550.3 Ų50.363%0.6326%0.263SS*.THydrogen-bonded Turntrans-66.9-28.8-179.6178.2172.3-177.3-178.40112.2K461 S463 M465K426-K461 WeakPolarHBondContact CB-O 3.39Å; K426-K461 PolarHBondContact N-O 3.13Å; K426-K461 VanDerWaalsContact N-O 3.11Å; K426-S463 PolarHBondContact N-O 3.01Å; K426-M465 HydrophobicContact CB-SD 4.28Å; K426-M465 HydrophobicContact CD-SD 4.49Å; K426-M465 HydrophobicContact CG-SD 3.75Å
427D86.6Confident86.1Confident35 Ų3557.3 Ų57.319%0.18730%0.298CS..THydrogen-bonded Turntrans-93.89178.559-22.3000113.5H425 V429 G459 A460 K461H425-D427 WeakPolarHBondContact CB-OD1 3.26Å; H425-D427 PolarHBondContact O-N 3.11Å; D427-V429 PolarHBondContact O-N 2.81Å; D427-G459 VanDerWaalsContact CG-CA 3.41Å; D427-G459 WeakPolarHBondContact OD1-CA 3.24Å; D427-A460 VanDerWaalsContact CG-N 3.31Å; D427-A460 PolarHBondContact OD1-N 3.33Å; D427-A460 PolarHBondContact OD2-N 2.88Å; D427-K461 PolarHBondContact OD1-N 2.65Å; D427-K461 PolarHBondContact OD2-N 3.33Å
428T89.9Confident85Confident9 Ų955.6 Ų55.66%0.05530%0.3CS..  trans-66.2131.1171.1-62.20000109.8L423 L424 H425 F430 L456 Q457 G459L423-T428 PolarHBondContact O-OG1 3.07Å; L424-T428 HydrophobicContact CD2-CG2 4.4Å; H425-T428 PolarHBondContact N-OG1 2.92Å; H425-T428 WeakPolarHBondContact O-CB 3.31Å; H425-T428 PolarHBondContact O-N 2.74Å; H425-T428 PolarHBondContact O-OG1 2.76Å; T428-F430 HydrophobicContact CG2-CD2 4.19Å; T428-F430 HydrophobicContact CG2-CE2 3.56Å; T428-F430 HydrophobicContact CG2-CZ 3.98Å; T428-L456 HydrophobicContact CG2-CD1 4.34Å; T428-L456 HydrophobicContact CG2-CD2 4.18Å; T428-L456 HydrophobicContact CG2-CG 3.95Å; T428-Q457 WeakPolarHBondContact CA-O 3.32Å; T428-Q457 WeakPolarHBondContact CG2-O 3.45Å; T428-G459 PolarHBondContact OG1-N 3.2Å
429V91.3Very high83.9Confident23 Ų2360.8 Ų60.814%0.13931%0.309CS..EExtended strand (participates in β ladder)trans-116135.1-179.2-173.90000109.6D427 W431 Q457 L471 P475D427-V429 PolarHBondContact O-N 2.81Å; V429-W431 HydrophobicContact CG1-CE3 4.24Å; V429-Q457 PolarHBondContact N-O 3.26Å; V429-Q457 PolarHBondContact O-N 2.71Å; V429-L471 HydrophobicContact CG1-CD1 3.46Å; V429-L471 VanDerWaalsContact CG1-CD1 3.46Å; V429-L471 HydrophobicContact CG1-CG 4.25Å; V429-P475 HydrophobicContact CG1-CG 4.16Å
430F93.8Very high82.6Confident0 Ų064.4 Ų64.40%031%0.314CS..EExtended strand (participates in β ladder)trans-114.4135.8174.2-65.7-97.2000109.3V371 L373 I388 L424 T428 I454 E455 L456 Y468 L470 L471V371-F430 HydrophobicContact CG1-CZ 4.47Å; L373-F430 HydrophobicContact CD1-CD1 4.09Å; L373-F430 HydrophobicContact CD1-CG 4.4Å; L373-F430 HydrophobicContact CD2-CB 4.18Å; L373-F430 HydrophobicContact CD2-CD1 3.85Å; L373-F430 HydrophobicContact CD2-CD2 3.66Å; L373-F430 HydrophobicContact CD2-CE1 4.04Å; L373-F430 HydrophobicContact CD2-CE2 3.91Å; L373-F430 HydrophobicContact CD2-CG 3.64Å; L373-F430 HydrophobicContact CD2-CZ 4.09Å; I388-F430 HydrophobicContact CD1-CE1 4.33Å; I388-F430 HydrophobicContact CG2-CE1 4.29Å; L424-F430 HydrophobicContact CD2-CE2 4.39Å; L424-F430 HydrophobicContact CD2-CZ 3.85Å; T428-F430 HydrophobicContact CG2-CD2 4.19Å; T428-F430 HydrophobicContact CG2-CE2 3.56Å; T428-F430 HydrophobicContact CG2-CZ 3.98Å; F430-I454 HydrophobicContact CB-CG2 4.22Å; F430-I454 HydrophobicContact CD1-CG2 3.94Å; F430-E455 WeakPolarHBondContact CA-O 3.04Å; F430-L456 HydrophobicContact CD1-CB 4.16Å; F430-L456 HydrophobicContact CD1-CD1 4.34Å; F430-L456 HydrophobicContact CD1-CG 4.3Å; F430-L456 HydrophobicContact CE1-CB 4.03Å; F430-L456 HydrophobicContact CE1-CD1 3.41Å; F430-L456 VanDerWaalsContact CE1-CD1 3.41Å; F430-L456 HydrophobicContact CE1-CG 3.82Å; F430-L456 HydrophobicContact CZ-CD1 3.54Å; F430-L456 HydrophobicContact CZ-CG 4.05Å; F430-Y468 HydrophobicContact CD2-CD1 4.35Å; F430-Y468 HydrophobicContact CD2-CG 4.08Å; F430-Y468 HydrophobicContact CE2-CD1 4.02Å; F430-Y468 AromaticContact CE2-CD2 3.97Å; F430-Y468 HydrophobicContact CE2-CD2 3.97Å; F430-Y468 HydrophobicContact CE2-CE2 4.45Å; F430-Y468 AromaticContact CE2-CG 3.71Å; F430-Y468 HydrophobicContact CE2-CG 3.71Å; F430-L470 HydrophobicContact CB-CD1 3.87Å; F430-L471 PolarHBondContact O-N 3.39Å
431W92Very high81.3Confident20 Ų2062.9 Ų62.98%0.07632%0.317CS..EExtended strand (participates in β ladder)trans-140.5156.8168.967.491.5000112.2V429 I454 E455 Q457 L471 P474V429-W431 HydrophobicContact CG1-CE3 4.24Å; W431-I454 CarbonylContact O-C 3.51Å; W431-I454 WeakPolarHBondContact O-CA 3.43Å; W431-E455 HydrophobicContact CD2-CB 4.15Å; W431-E455 HydrophobicContact CH2-CB 4.28Å; W431-E455 HydrophobicContact CH2-CG 3.86Å; W431-E455 HydrophobicContact CZ2-CB 3.66Å; W431-E455 HydrophobicContact CZ2-CG 3.43Å; W431-E455 VanDerWaalsContact CZ2-CG 3.43Å; W431-E455 VanDerWaalsContact CZ2-OE2 3.24Å; W431-E455 WeakPolarHBondContact CZ2-OE2 3.39Å; W431-E455 PolarHBondContact N-O 3.27Å; W431-E455 PolarHBondContact NE1-OE2 3.24Å; W431-E455 PolarHBondContact O-N 3.38Å; W431-Q457 HydrophobicContact CH2-CB 3.93Å; W431-Q457 HydrophobicContact CZ3-CB 3.61Å; W431-L471 CarbonylContact C-O 3.28Å; W431-L471 WeakPolarHBondContact CA-O 3.4Å; W431-L471 HydrophobicContact CB-CB 3.92Å; W431-L471 WeakPolarHBondContact CB-O 3.39Å; W431-P474 HydrophobicContact CD2-CB 4.16Å; W431-P474 HydrophobicContact CG-CB 4.18Å; W431-P474 HydrophobicContact CZ2-CB 4.34Å
432V91.4Very high80.6Confident6 Ų662.3 Ų62.34%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-83.6129.8176.3-174.90000109.8I381 K434 V452 L470 L471I381-V432 HydrophobicContact CD1-CG2 3.9Å; V432-K434 HydrophobicContact CG1-CB 4.32Å; V432-V452 HydrophobicContact CG1-CG1 3.34Å; V432-L470 HydrophobicContact CG2-CD1 3.8Å; V432-L470 HydrophobicContact CG2-CD2 3.69Å; V432-L470 HydrophobicContact CG2-CG 3.74Å; V432-L471 PolarHBondContact N-O 3.33Å
433V89.3Confident79.7Confident21 Ų2157.5 Ų57.513%0.12730%0.303CS..EExtended strand (participates in β ladder)trans-101.7110.2168.1-174.60000108.2T447 Y453 E455V433-T447 HydrophobicContact CG1-CG2 4.18Å; V433-T447 WeakPolarHBondContact O-CG2 3.46Å; V433-Y453 HydrophobicContact CB-CD1 4.32Å; V433-Y453 HydrophobicContact CB-CD2 4.15Å; V433-Y453 HydrophobicContact CB-CE1 3.89Å; V433-Y453 HydrophobicContact CB-CE2 3.7Å; V433-Y453 HydrophobicContact CB-CG 4.44Å; V433-Y453 HydrophobicContact CG1-CE1 3.81Å; V433-Y453 HydrophobicContact CG1-CE2 4.23Å; V433-Y453 WeakPolarHBondContact CG1-OH 3.25Å; V433-Y453 HydrophobicContact CG2-CD2 4.28Å; V433-Y453 HydrophobicContact CG2-CE2 3.64Å; V433-Y453 PolarHBondContact N-O 2.88Å; V433-Y453 PolarHBondContact O-N 2.83Å; V433-E455 HydrophobicContact CG2-CB 3.89Å
434K85Confident78.8Confident44 Ų4456.9 Ų56.919%0.19131%0.305CS..  trans-128.5163179.167.8-176.7178.9-179.40110.1E379 V432 Q436 V452E379-K434 IonicContact OE2-NZ 3.67Å; E379-K434 PolarHBondContact OE2-NZ 3.14Å; V432-K434 HydrophobicContact CG1-CB 4.32Å; K434-Q436 HydrophobicContact CG-CG 3.81Å; K434-Q436 PolarHBondContact O-N 2.82Å; K434-V452 HydrophobicContact CB-CG1 4.24Å; K434-V452 HydrophobicContact CB-CG2 3.92Å
435P82Confident78.1Confident65 Ų6561.7 Ų61.742%0.42233%0.33SS..  trans-71109.917926.5-22.2000107.5T447P435-T447 WeakPolarHBondContact CB-OG1 3.37Å; P435-T447 WeakPolarHBondContact CD-OG1 3.48Å; P435-T447 WeakPolarHBondContact CG-OG1 3.11Å; P435-T447 VanDerWaalsContact N-OG1 3.17Å
436Q71.9Confident77.2Confident55 Ų5561.5 Ų61.526%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-115.7128.6-179.4-64.7-174.9-2.400108.9K434 I442 S443 D472 S473K434-Q436 HydrophobicContact CG-CG 3.81Å; K434-Q436 PolarHBondContact O-N 2.82Å; Q436-I442 WeakPolarHBondContact O-CA 3.47Å; Q436-S443 PolarHBondContact N-O 3.49Å; Q436-S443 PolarHBondContact O-N 2.87Å; Q436-D472 PolarHBondContact NE2-O 3.3Å; Q436-S473 PolarHBondContact NE2-OG 2.98Å
437I71.3Confident76.8Confident150 Ų15055 Ų5577%0.76932%0.315SS*.EExtended strand (participates in β ladder)trans-107.6100.9171.8-59.3173.7000105.9I442I437-I442 HydrophobicContact CG1-CG1 4.44Å; I437-I442 HydrophobicContact CG1-CG2 4.27Å
438G64.2Low76.4Confident44 Ų4459.4 Ų59.445%0.45434%0.338SS..EExtended strand (participates in β ladder)trans-116.1175.8178.800000111.7E440 G441G438-E440 PolarHBondContact O-N 3.35Å; G438-G441 PolarHBondContact N-O 3.32Å; G438-G441 PolarHBondContact O-N 2.83Å
439R59Low75.8Confident178 Ų17867.1 Ų67.167%0.67238%0.378SS*.THydrogen-bonded Turntrans-64.5-23.7171-74.8-176.2171.4167.2-2.3112.9G441R439-G441 PolarHBondContact O-N 3.04Å
440E53.8Low75Confident117 Ų11769.9 Ų69.955%0.54740%0.399SS..THydrogen-bonded Turntrans-73-14.4176.6-58.8-124129.600113.4G438 G499 D500G438-E440 PolarHBondContact O-N 3.35Å; E440-G499 WeakPolarHBondContact OE1-CA 3.05Å; E440-D500 PolarHBondContact OE1-N 3.46Å
441G61.5Low74.5Confident37 Ų3771.6 Ų71.638%0.38142%0.416SS..EExtended strand (participates in β ladder)trans127.7-169.8-173.600000112.3G438 R439G438-G441 PolarHBondContact N-O 3.32Å; G438-G441 PolarHBondContact O-N 2.83Å; R439-G441 PolarHBondContact O-N 3.04Å
442I69Low74.4Confident104 Ų10471.9 Ų71.953%0.53342%0.42SS..EExtended strand (participates in β ladder)trans-101.6112.1177.8-52.7174.1000107.4Q436 I437 L445Q436-I442 WeakPolarHBondContact O-CA 3.47Å; I437-I442 HydrophobicContact CG1-CG1 4.44Å; I437-I442 HydrophobicContact CG1-CG2 4.27Å; I442-L445 HydrophobicContact CB-CD1 4.46Å; I442-L445 HydrophobicContact CG2-CD1 3.98Å; I442-L445 HydrophobicContact CG2-CD2 3.93Å; I442-L445 HydrophobicContact CG2-CG 3.69Å
443S67.3Low74.4Confident63 Ų6373.4 Ų73.444%0.44143%0.425SS..EExtended strand (participates in β ladder)trans-105.7152.517357.40000110.6Q436Q436-S443 PolarHBondContact N-O 3.49Å; Q436-S443 PolarHBondContact O-N 2.87Å
444G68.8Low74.6Confident22 Ų2272.4 Ų72.423%0.22742%0.419CS..  trans78.618.4173.500000115.6G446 T447G444-G446 PolarHBondContact O-N 2.67Å; G444-T447 WeakPolarHBondContact O-CB 3.45Å; G444-T447 WeakPolarHBondContact O-CG2 3.23Å; G444-T447 PolarHBondContact O-N 3.04Å; G444-T447 PolarHBondContact O-OG1 3.33Å
445L75.8Confident75Confident105 Ų10572.3 Ų72.355%0.5542%0.419SS..THydrogen-bonded Turntrans-52.1-29.5176.4-79160.2000114I442 T447 L448I442-L445 HydrophobicContact CB-CD1 4.46Å; I442-L445 HydrophobicContact CG2-CD1 3.98Å; I442-L445 HydrophobicContact CG2-CD2 3.93Å; I442-L445 HydrophobicContact CG2-CG 3.69Å; L445-T447 PolarHBondContact O-N 3.32Å; L445-L448 HydrophobicContact CD2-CD1 3.89Å; L445-L448 WeakPolarHBondContact O-CB 3.46Å; L445-L448 PolarHBondContact O-N 2.77Å
446G71Confident75.5Confident49 Ų4969.3 Ų69.351%0.50540%0.4SS..THydrogen-bonded Turntrans-61.2-22.9174.800000114.3G444 L448 L449 S450G444-G446 PolarHBondContact O-N 2.67Å; G446-L448 VanDerWaalsContact C-N 3.28Å; G446-L448 PolarHBondContact O-N 2.84Å; G446-L449 PolarHBondContact O-N 3.21Å; G446-S450 PolarHBondContact O-N 3.35Å; G446-S450 PolarHBondContact O-OG 2.81Å
447T79Confident76.4Confident9 Ų969.5 Ų69.56%0.05540%0.401CS..Hα-helixtrans-76.5-14.2179.668.10000112.8V433 P435 G444 L445 L449 G451 Y453V433-T447 HydrophobicContact CG1-CG2 4.18Å; V433-T447 WeakPolarHBondContact O-CG2 3.46Å; P435-T447 WeakPolarHBondContact CB-OG1 3.37Å; P435-T447 WeakPolarHBondContact CD-OG1 3.48Å; P435-T447 WeakPolarHBondContact CG-OG1 3.11Å; P435-T447 VanDerWaalsContact N-OG1 3.17Å; G444-T447 WeakPolarHBondContact O-CB 3.45Å; G444-T447 WeakPolarHBondContact O-CG2 3.23Å; G444-T447 PolarHBondContact O-N 3.04Å; G444-T447 PolarHBondContact O-OG1 3.33Å; L445-T447 PolarHBondContact O-N 3.32Å; T447-L449 PolarHBondContact O-N 3.01Å; T447-G451 WeakPolarHBondContact CA-O 3.41Å; T447-G451 WeakPolarHBondContact CB-O 3.35Å; T447-G451 WeakPolarHBondContact CG2-O 3.4Å; T447-G451 CarbonylContact O-C 3.53Å; T447-G451 VanDerWaalsContact O-CA 3.25Å; T447-G451 WeakPolarHBondContact O-CA 3.45Å; T447-G451 PolarHBondContact O-N 2.8Å; T447-Y453 HydrophobicContact CG2-CD1 4Å; T447-Y453 HydrophobicContact CG2-CE1 3.82Å
448L77.8Confident77.2Confident126 Ų12664.4 Ų64.466%0.6638%0.378SS*.Hα-helixtrans-64.6-28.9172.7-72.4168.5000111.9L445 G446L445-L448 HydrophobicContact CD2-CD1 3.89Å; L445-L448 WeakPolarHBondContact O-CB 3.46Å; L445-L448 PolarHBondContact O-N 2.77Å; G446-L448 VanDerWaalsContact C-N 3.28Å; G446-L448 PolarHBondContact O-N 2.84Å
449L75.9Confident77.9Confident172 Ų17262.9 Ų62.990%0.90136%0.362SS*.Hα-helixtrans-102.4-39.8177.7-65.9173.4000112.6G446 T447G446-L449 PolarHBondContact O-N 3.21Å; T447-L449 PolarHBondContact O-N 3.01Å
450S75.8Confident78.8Confident81 Ų8158.2 Ų58.257%0.56636%0.361SS*.Hα-helixtrans-92.1-9.3-174.558.50000114.8G446G446-S450 PolarHBondContact O-N 3.35Å; G446-S450 PolarHBondContact O-OG 2.81Å
451G82.3Confident79.9Confident35 Ų3559.9 Ų59.936%0.36137%0.367SS..  trans79.3174.2-169.200000112.9T447T447-G451 WeakPolarHBondContact CA-O 3.41Å; T447-G451 WeakPolarHBondContact CB-O 3.35Å; T447-G451 WeakPolarHBondContact CG2-O 3.4Å; T447-G451 CarbonylContact O-C 3.53Å; T447-G451 VanDerWaalsContact O-CA 3.25Å; T447-G451 WeakPolarHBondContact O-CA 3.45Å; T447-G451 PolarHBondContact O-N 2.8Å
452V89.5Confident80.6Confident27 Ų2760.4 Ų60.416%0.16437%0.371CS..  trans-69.9136.1174.21750000109.2V432 K434V432-V452 HydrophobicContact CG1-CG1 3.34Å; K434-V452 HydrophobicContact CB-CG1 4.24Å; K434-V452 HydrophobicContact CB-CG2 3.92Å
453Y92.5Very high81.1Confident38 Ų3860 Ų6015%0.14938%0.378CS..EExtended strand (participates in β ladder)trans-131.5162.6176.166.9-90.2000110.6T387 K389 V433 T447 E455T387-Y453 WeakPolarHBondContact O-CB 3.47Å; K389-Y453 HydrophobicContact CB-CD2 4.17Å; K389-Y453 HydrophobicContact CB-CE2 4.45Å; K389-Y453 HydrophobicContact CD-CD2 3.86Å; K389-Y453 HydrophobicContact CD-CE2 4.2Å; K389-Y453 HydrophobicContact CD-CG 4.15Å; K389-Y453 HydrophobicContact CG-CD2 3.93Å; K389-Y453 HydrophobicContact CG-CG 4.44Å; V433-Y453 HydrophobicContact CB-CD1 4.32Å; V433-Y453 HydrophobicContact CB-CD2 4.15Å; V433-Y453 HydrophobicContact CB-CE1 3.89Å; V433-Y453 HydrophobicContact CB-CE2 3.7Å; V433-Y453 HydrophobicContact CB-CG 4.44Å; V433-Y453 HydrophobicContact CG1-CE1 3.81Å; V433-Y453 HydrophobicContact CG1-CE2 4.23Å; V433-Y453 WeakPolarHBondContact CG1-OH 3.25Å; V433-Y453 HydrophobicContact CG2-CD2 4.28Å; V433-Y453 HydrophobicContact CG2-CE2 3.64Å; V433-Y453 PolarHBondContact N-O 2.88Å; V433-Y453 PolarHBondContact O-N 2.83Å; T447-Y453 HydrophobicContact CG2-CD1 4Å; T447-Y453 HydrophobicContact CG2-CE1 3.82Å; Y453-E455 HydrophobicContact CE2-CB 4.38Å
454I94.2Very high81.8Confident0 Ų061.6 Ų61.60%038%0.377CS..EExtended strand (participates in β ladder)trans-102.4131.8176.8-66.3167.2000108.1L373 I381 T386 T387 I388 K389 V398 F430 W431 L470L373-I454 HydrophobicContact CD1-CD1 3.86Å; L373-I454 HydrophobicContact CD1-CG2 4.36Å; I381-I454 HydrophobicContact CD1-CD1 4.35Å; T386-I454 HydrophobicContact CG2-CD1 4.22Å; T386-I454 HydrophobicContact CG2-CG1 4.12Å; T387-I454 PolarHBondContact O-N 3.05Å; I388-I454 CarbonylContact C-O 3.57Å; I388-I454 VanDerWaalsContact CA-O 3.31Å; I388-I454 WeakPolarHBondContact CA-O 3.29Å; I388-I454 HydrophobicContact CG1-CB 4.19Å; I388-I454 HydrophobicContact CG1-CG2 4.39Å; I388-I454 HydrophobicContact CG2-CG2 4.48Å; K389-I454 PolarHBondContact N-O 3.31Å; V398-I454 HydrophobicContact CG2-CD1 3.73Å; F430-I454 HydrophobicContact CB-CG2 4.22Å; F430-I454 HydrophobicContact CD1-CG2 3.94Å; W431-I454 CarbonylContact O-C 3.51Å; W431-I454 WeakPolarHBondContact O-CA 3.43Å; I454-L470 HydrophobicContact CD1-CD1 4.27Å; I454-L470 HydrophobicContact CD1-CD2 4.08Å; I454-L470 HydrophobicContact CG1-CD1 4.12Å; I454-L470 HydrophobicContact CG1-CD2 4.47Å; I454-L470 HydrophobicContact CG2-CD1 3.8Å
455E92.6Very high82.5Confident42 Ų4264.2 Ų64.220%0.19638%0.384CS..EExtended strand (participates in β ladder)trans-99.9135.8173.7-167.2163.2-162.800110.6K389 F430 W431 V433 Y453K389-E455 CarbonylContact O-C 3.54Å; K389-E455 VanDerWaalsContact O-CA 3.27Å; K389-E455 WeakPolarHBondContact O-CA 3.3Å; F430-E455 WeakPolarHBondContact CA-O 3.04Å; W431-E455 HydrophobicContact CD2-CB 4.15Å; W431-E455 HydrophobicContact CH2-CB 4.28Å; W431-E455 HydrophobicContact CH2-CG 3.86Å; W431-E455 HydrophobicContact CZ2-CB 3.66Å; W431-E455 HydrophobicContact CZ2-CG 3.43Å; W431-E455 VanDerWaalsContact CZ2-CG 3.43Å; W431-E455 VanDerWaalsContact CZ2-OE2 3.24Å; W431-E455 WeakPolarHBondContact CZ2-OE2 3.39Å; W431-E455 PolarHBondContact N-O 3.27Å; W431-E455 PolarHBondContact NE1-OE2 3.24Å; W431-E455 PolarHBondContact O-N 3.38Å; V433-E455 HydrophobicContact CG2-CB 3.89Å; Y453-E455 HydrophobicContact CE2-CB 4.38Å
456L92.5Very high82.8Confident2 Ų264.7 Ų64.71%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-112.1117.8-179.8179.7162.1000108.5I388 K389 S390 L416 L423 L424 T428 F430 P458I388-L456 HydrophobicContact CG2-CB 3.84Å; I388-L456 HydrophobicContact CG2-CD1 4.28Å; K389-L456 PolarHBondContact O-N 2.9Å; S390-L456 VanDerWaalsContact CB-O 3.3Å; S390-L456 WeakPolarHBondContact CB-O 3.15Å; S390-L456 PolarHBondContact OG-O 3Å; L416-L456 HydrophobicContact CD1-CD1 4.29Å; L416-L456 HydrophobicContact CD2-CD1 4.33Å; L423-L456 HydrophobicContact CB-CD2 3.87Å; L423-L456 HydrophobicContact CD1-CD2 4.25Å; L424-L456 HydrophobicContact CD2-CD1 4.39Å; T428-L456 HydrophobicContact CG2-CD1 4.34Å; T428-L456 HydrophobicContact CG2-CD2 4.18Å; T428-L456 HydrophobicContact CG2-CG 3.95Å; F430-L456 HydrophobicContact CD1-CB 4.16Å; F430-L456 HydrophobicContact CD1-CD1 4.34Å; F430-L456 HydrophobicContact CD1-CG 4.3Å; F430-L456 HydrophobicContact CE1-CB 4.03Å; F430-L456 HydrophobicContact CE1-CD1 3.41Å; F430-L456 VanDerWaalsContact CE1-CD1 3.41Å; F430-L456 HydrophobicContact CE1-CG 3.82Å; F430-L456 HydrophobicContact CZ-CD1 3.54Å; F430-L456 HydrophobicContact CZ-CG 4.05Å; L456-P458 HydrophobicContact CD2-CB 4.34Å
457Q90.5Very high83.8Confident58 Ų5867.3 Ų67.327%0.27139%0.385SS..EExtended strand (participates in β ladder)trans-94.8118.1165.2179.2170.7-15.400109.6T428 V429 W431 G459T428-Q457 WeakPolarHBondContact CA-O 3.32Å; T428-Q457 WeakPolarHBondContact CG2-O 3.45Å; V429-Q457 PolarHBondContact N-O 3.26Å; V429-Q457 PolarHBondContact O-N 2.71Å; W431-Q457 HydrophobicContact CH2-CB 3.93Å; W431-Q457 HydrophobicContact CZ3-CB 3.61Å; Q457-G459 PolarHBondContact O-N 3.43Å
458P88.1Confident84.5Confident44 Ų4467.4 Ų67.429%0.28638%0.384SS..PPolyproline II helixtrans-68.4134-179.627.1-32.8000110.5L423 L456L423-P458 HydrophobicContact CB-CB 4.2Å; L423-P458 HydrophobicContact CD2-CB 3.79Å; L423-P458 HydrophobicContact CD2-CG 4.25Å; L456-P458 HydrophobicContact CD2-CB 4.34Å
459G78.8Confident85.2Confident12 Ų1266.8 Ų66.812%0.12438%0.381CS..PPolyproline II helixtrans-80.7172.3170.700000112.9H425 D427 T428 Q457H425-G459 PolarHBondContact CD2-O 2.78Å; D427-G459 VanDerWaalsContact CG-CA 3.41Å; D427-G459 WeakPolarHBondContact OD1-CA 3.24Å; T428-G459 PolarHBondContact OG1-N 3.2Å; Q457-G459 PolarHBondContact O-N 3.43Å
460A78.5Confident86.1Confident79 Ų7959 Ų5965%0.65334%0.34SS*.  trans-124.5-8.8175.100000113.1D427D427-A460 VanDerWaalsContact CG-N 3.31Å; D427-A460 PolarHBondContact OD1-N 3.33Å; D427-A460 PolarHBondContact OD2-N 2.88Å
461K76.7Confident86.8Confident153 Ų15358.4 Ų58.467%0.66533%0.331SS*.SBendtrans-127.2139.3-170.5-66.7179.9-177.1171.50112.4K426 D427K426-K461 WeakPolarHBondContact CB-O 3.39Å; K426-K461 PolarHBondContact N-O 3.13Å; K426-K461 VanDerWaalsContact N-O 3.11Å; D427-K461 PolarHBondContact OD1-N 2.65Å; D427-K461 PolarHBondContact OD2-N 3.33Å
462G76.5Confident86.9Confident47 Ų4760.5 Ų60.549%0.48533%0.334SS..SBendtrans85.4165.6176.800000113.3H425H425-G462 PolarHBondContact ND1-O 3Å
463S80.2Confident86.3Confident95 Ų9561.8 Ų61.866%0.66434%0.344SS*.  trans-74.2158.7177.553.20000111.2K426 M465K426-S463 PolarHBondContact N-O 3.01Å; S463-M465 PolarHBondContact O-N 2.99Å
464K81.4Confident85.6Confident97 Ų9763.3 Ų63.342%0.42236%0.359SS..  trans-47.3135.3165.8178.9-173.5174.6-164.40110.1L424L424-K464 HydrophobicContact CB-CG 4.17Å; L424-K464 HydrophobicContact CD1-CD 4.45Å; L424-K464 HydrophobicContact CD1-CG 4.43Å
465M83.6Confident84.8Confident77 Ų7765.1 Ų65.138%0.37937%0.37SS..  trans-105.2156166.5-65.2-176.758.800109.6K426 S463 Y468K426-M465 HydrophobicContact CB-SD 4.28Å; K426-M465 HydrophobicContact CD-SD 4.49Å; K426-M465 HydrophobicContact CG-SD 3.75Å; S463-M465 PolarHBondContact O-N 2.99Å; M465-Y468 HydrophobicContact CB-CE1 4.14Å; M465-Y468 HydrophobicContact CB-CE2 3.97Å; M465-Y468 PolarHBondContact N-OH 2.96Å; M465-Y468 VanDerWaalsContact N-OH 3.08Å; M465-Y468 WeakPolarHBondContact O-CE2 3.43Å
466D81.3Confident83.8Confident115 Ų11566.7 Ų66.762%0.61538%0.38SS*.SBendtrans-88.9-24.9175.9-62.6-34.8000112.1T372T372-D466 PolarHBondContact N-O 3.49Å
467K91.7Very high82.7Confident104 Ų10467 Ų6745%0.45238%0.382SS..EExtended strand (participates in β ladder)trans-122.3135.1179-58.6-162.1174.5-158.80110.7T372 I374 E411T372-K467 CarbonylContact O-C 3.49Å; T372-K467 VanDerWaalsContact O-CA 3.29Å; T372-K467 WeakPolarHBondContact O-CA 3.15Å; I374-K467 HydrophobicContact CD1-CB 4.39Å; I374-K467 HydrophobicContact CD1-CD 4.16Å; E411-K467 IonicContact OE1-NZ 3.29Å; E411-K467 PolarHBondContact OE1-NZ 2.83Å
468Y93.9Very high81.6Confident12 Ų1266 Ų665%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-132.6152.8175.5-67.8-91.2000110.4V371 T372 L373 I374 L424 H425 F430 M465V371-Y468 HydrophobicContact CG1-CD2 3.28Å; V371-Y468 HydrophobicContact CG1-CE2 3.64Å; V371-Y468 HydrophobicContact CG1-CG 4.42Å; T372-Y468 PolarHBondContact O-N 2.98Å; L373-Y468 CarbonylContact C-O 3.56Å; L373-Y468 VanDerWaalsContact CA-O 3.23Å; L373-Y468 WeakPolarHBondContact CA-O 3.3Å; I374-Y468 PolarHBondContact N-O 2.85Å; L424-Y468 HydrophobicContact CD2-CE2 4.25Å; H425-Y468 WeakPolarHBondContact O-CE1 3.06Å; H425-Y468 PolarHBondContact O-OH 3.18Å; F430-Y468 HydrophobicContact CD2-CD1 4.35Å; F430-Y468 HydrophobicContact CD2-CG 4.08Å; F430-Y468 HydrophobicContact CE2-CD1 4.02Å; F430-Y468 AromaticContact CE2-CD2 3.97Å; F430-Y468 HydrophobicContact CE2-CD2 3.97Å; F430-Y468 HydrophobicContact CE2-CE2 4.45Å; F430-Y468 AromaticContact CE2-CG 3.71Å; F430-Y468 HydrophobicContact CE2-CG 3.71Å; M465-Y468 HydrophobicContact CB-CE1 4.14Å; M465-Y468 HydrophobicContact CB-CE2 3.97Å; M465-Y468 PolarHBondContact N-OH 2.96Å; M465-Y468 VanDerWaalsContact N-OH 3.08Å; M465-Y468 WeakPolarHBondContact O-CE2 3.43Å
469D92.7Very high80.4Confident112 Ų11267.9 Ų67.960%0.59939%0.393SS*.EExtended strand (participates in β ladder)trans-82.6139171-58.9-38.9000109.9
470L94.1Very high79.8Confident8 Ų871.5 Ų71.54%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-102113.9173.317565.4000109.1L373 I374 T375 I381 I412 F430 V432 I454L373-L470 HydrophobicContact CB-CB 4.11Å; L373-L470 HydrophobicContact CD1-CD1 4.41Å; I374-L470 PolarHBondContact O-N 3.4Å; T375-L470 HydrophobicContact CG2-CD2 4.34Å; I381-L470 HydrophobicContact CD1-CD2 3.59Å; I412-L470 HydrophobicContact CD1-CD2 3.63Å; F430-L470 HydrophobicContact CB-CD1 3.87Å; V432-L470 HydrophobicContact CG2-CD1 3.8Å; V432-L470 HydrophobicContact CG2-CD2 3.69Å; V432-L470 HydrophobicContact CG2-CG 3.74Å; I454-L470 HydrophobicContact CD1-CD1 4.27Å; I454-L470 HydrophobicContact CD1-CD2 4.08Å; I454-L470 HydrophobicContact CG1-CD1 4.12Å; I454-L470 HydrophobicContact CG1-CD2 4.47Å; I454-L470 HydrophobicContact CG2-CD1 3.8Å
471L90.4Very high79.7Confident69 Ų6968.9 Ų68.936%0.36139%0.388SS..EExtended strand (participates in β ladder)trans-81.2145.1-179.2-51.9178.8000111.2V429 F430 W431 V432 S473V429-L471 HydrophobicContact CG1-CD1 3.46Å; V429-L471 VanDerWaalsContact CG1-CD1 3.46Å; V429-L471 HydrophobicContact CG1-CG 4.25Å; F430-L471 PolarHBondContact O-N 3.39Å; W431-L471 CarbonylContact C-O 3.28Å; W431-L471 WeakPolarHBondContact CA-O 3.4Å; W431-L471 HydrophobicContact CB-CB 3.92Å; W431-L471 WeakPolarHBondContact CB-O 3.39Å; V432-L471 PolarHBondContact N-O 3.33Å; L471-S473 VanDerWaalsContact C-N 3.29Å; L471-S473 PolarHBondContact O-N 2.93Å
472D84.3Confident80.1Confident79 Ų7969.9 Ų69.942%0.42239%0.393SS..SBendtrans-74.7-19.8179-69.9-40.5000114Q436Q436-D472 PolarHBondContact NE2-O 3.3Å
473S77.5Confident80.8Confident55 Ų5569.1 Ų69.139%0.38539%0.385SS..SBendtrans-144.1153.3-178.5-71.10000109.7Q436 L471Q436-S473 PolarHBondContact NE2-OG 2.98Å; L471-S473 VanDerWaalsContact C-N 3.29Å; L471-S473 PolarHBondContact O-N 2.93Å
474P78.9Confident81.4Confident70 Ų7065.2 Ų65.246%0.45536%0.356SS..  trans-57.3140.9176.821.4-32000111.2W431 L476W431-P474 HydrophobicContact CD2-CB 4.16Å; W431-P474 HydrophobicContact CG-CB 4.18Å; W431-P474 HydrophobicContact CZ2-CB 4.34Å; P474-L476 PolarHBondContact O-N 2.88Å
475P76.1Confident81.9Confident37 Ų3763.3 Ų63.324%0.2435%0.346CS..  trans-63125.9173.827.8-34.2000109.5V429 A477V429-P475 HydrophobicContact CG1-CG 4.16Å; P475-A477 PolarHBondContact O-N 3.14Å; P475-A477 VanDerWaalsContact O-N 3.15Å
476L71.4Confident82.4Confident76 Ų7659.6 Ų59.640%0.39833%0.328SS..SBendtrans-59.3-28.2-178.8-70.2170.8000112.9P474 P498 V512P474-L476 PolarHBondContact O-N 2.88Å; L476-P498 HydrophobicContact CD1-CB 3.92Å; L476-V512 VanDerWaalsContact CD1-O 3.32Å; L476-V512 WeakPolarHBondContact CD1-O 3.47Å
477A69.8Low83.1Confident7 Ų756 Ų566%0.05831%0.309CS..SBendtrans-144.2129.7168.400000109.3P475 A481 F529P475-A477 PolarHBondContact O-N 3.14Å; P475-A477 VanDerWaalsContact O-N 3.15Å; A477-A481 HydrophobicContact CB-CB 4.24Å; A477-F529 HydrophobicContact CB-CB 4.31Å; A477-F529 HydrophobicContact CB-CD1 3.44Å; A477-F529 VanDerWaalsContact CB-CD1 3.44Å; A477-F529 HydrophobicContact CB-CD2 4.36Å; A477-F529 HydrophobicContact CB-CE1 3.75Å; A477-F529 HydrophobicContact CB-CG 3.77Å; A477-F529 HydrophobicContact CB-CZ 4.37Å
478P67.2Low83.2Confident37 Ų3751.1 Ų51.124%0.2429%0.287CS..  trans-58149.3171.211.2-17.8000110.9D480 A481P478-D480 PolarHBondContact O-N 2.98Å; P478-A481 HydrophobicContact CG-CB 3.91Å; P478-A481 WeakPolarHBondContact O-CB 3.05Å; P478-A481 PolarHBondContact O-N 3.1Å
479P63.7Low83.1Confident85 Ų8552.9 Ų52.955%0.55230%0.298SS*.THydrogen-bonded Turntrans-53.3-32-179.1-26.634.7000113.6
480D67.1Low83Confident87 Ų8748 Ų4847%0.46527%0.272SS..THydrogen-bonded Turntrans-987.4-17849.8-47.3000113.9P478 K482P478-D480 PolarHBondContact O-N 2.98Å; D480-K482 PolarHBondContact O-N 3.45Å
481A74.7Confident82.5Confident25 Ų2556.2 Ų56.221%0.20731%0.307CS..  trans-57127.717100000110.6A477 P478 G483 F529A477-A481 HydrophobicContact CB-CB 4.24Å; P478-A481 HydrophobicContact CG-CB 3.91Å; P478-A481 WeakPolarHBondContact O-CB 3.05Å; P478-A481 PolarHBondContact O-N 3.1Å; A481-G483 PolarHBondContact O-N 3.46Å; A481-F529 HydrophobicContact CB-CE1 3.65Å; A481-F529 HydrophobicContact CB-CE2 4.16Å; A481-F529 HydrophobicContact CB-CZ 3.3Å
482K86.4Confident82Confident174 Ų17459 Ų5976%0.75732%0.316SS*.SBendtrans-72.3125.5176.2-66-176.2-179.8179.50109.4D480 A532D480-K482 PolarHBondContact O-N 3.45Å; K482-A532 HydrophobicContact CB-CB 3.76Å; K482-A532 WeakPolarHBondContact O-CB 3.09Å; K482-A532 PolarHBondContact O-N 2.92Å
483G90.1Very high81.3Confident31 Ų3159.2 Ų59.232%0.3233%0.33SS..EExtended strand (participates in β ladder)trans160.8-168.2-177.300000111.7A481 I530A481-G483 PolarHBondContact O-N 3.46Å; G483-I530 CarbonylContact C-O 3.54Å; G483-I530 WeakPolarHBondContact CA-O 3.45Å
484I92.8Very high80.8Confident13 Ų1357.8 Ų57.87%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-122.2139175.3-169.7166.2000110.4V486 I530 D535 V538 V588 P590I484-V486 HydrophobicContact CG1-CG2 4.32Å; I484-V486 HydrophobicContact CG2-CG2 4.29Å; I484-I530 HydrophobicContact CG2-CB 3.83Å; I484-I530 HydrophobicContact CG2-CG1 4.23Å; I484-I530 PolarHBondContact N-O 3.15Å; I484-I530 PolarHBondContact O-N 3.32Å; I484-D535 HydrophobicContact CB-CB 3.99Å; I484-D535 HydrophobicContact CG2-CB 3.73Å; I484-V538 HydrophobicContact CG2-CB 4.49Å; I484-V538 HydrophobicContact CG2-CG2 4.04Å; I484-V588 HydrophobicContact CD1-CG2 3.78Å; I484-V588 VanDerWaalsContact CD1-O 3.25Å; I484-V588 WeakPolarHBondContact CD1-O 3.31Å; I484-P590 HydrophobicContact CG1-CB 4.37Å; I484-P590 HydrophobicContact CG1-CG 4.39Å
485R93.3Very high80.4Confident56 Ų5659.7 Ų59.721%0.21133%0.326CS..EExtended strand (participates in β ladder)trans-97132.6170.5-70.1176.4171.197.40.1109.2E513 Q527 L528 F529 K591R485-E513 WeakPolarHBondContact CD-OE2 3.28Å; R485-E513 IonicContact CZ-OE1 3.11Å; R485-E513 IonicContact NE-OE1 2.66Å; R485-E513 PolarHBondContact NE-OE1 2.81Å; R485-E513 IonicContact NE-OE2 3.43Å; R485-E513 PolarHBondContact NE-OE2 3.49Å; R485-E513 IonicContact NH2-OE1 3.17Å; R485-E513 PolarHBondContact NH2-OE1 2.96Å; R485-Q527 HydrophobicContact CB-CG 4.48Å; R485-L528 CarbonylContact C-O 3.54Å; R485-L528 WeakPolarHBondContact CA-O 3.48Å; R485-F529 HydrophobicContact CG-CD2 3.8Å; R485-K591 PolarHBondContact O-N 3Å
486V94.2Very high80.7Confident0 Ų058.2 Ų58.20%032%0.317CS..EExtended strand (participates in β ladder)trans-128.5144-177-178.70000108.9I484 L488 Q527 L528 V538 F544 F594I484-V486 HydrophobicContact CG1-CG2 4.32Å; I484-V486 HydrophobicContact CG2-CG2 4.29Å; V486-L488 HydrophobicContact CG1-CD2 4.21Å; V486-Q527 CarbonylContact O-C 3.52Å; V486-Q527 WeakPolarHBondContact O-CA 3.27Å; V486-L528 PolarHBondContact N-O 2.84Å; V486-L528 PolarHBondContact O-N 2.64Å; V486-V538 HydrophobicContact CG2-CG1 4.06Å; V486-F544 HydrophobicContact CG1-CE2 4.3Å; V486-F544 HydrophobicContact CG1-CZ 4.24Å; V486-F594 HydrophobicContact CG1-CD2 3.29Å; V486-F594 HydrophobicContact CG1-CE2 3.51Å; V486-F594 HydrophobicContact CG1-CG 4.46Å
487I95.1Very high81.2Confident40 Ų4056.6 Ų56.621%0.20531%0.312CS..EExtended strand (participates in β ladder)trans-103.7132.2177.6-62.6174.4000108.7S525 Y526 K591 T592 A593 F594I487-S525 VanDerWaalsContact CG2-OG 3.31Å; I487-S525 WeakPolarHBondContact CG2-OG 3.36Å; I487-Y526 CarbonylContact C-O 3.5Å; I487-Y526 WeakPolarHBondContact CA-O 3.26Å; I487-K591 HydrophobicContact CD1-CB 4.14Å; I487-T592 PolarHBondContact N-O 3.02Å; I487-A593 HydrophobicContact CB-CB 4.44Å; I487-A593 CarbonylContact O-C 3.49Å; I487-A593 VanDerWaalsContact O-CA 3.3Å; I487-A593 WeakPolarHBondContact O-CA 3.33Å; I487-F594 PolarHBondContact O-N 3.04Å
488L93.7Very high81.9Confident0 Ų059.6 Ų59.60%033%0.33CS..EExtended strand (participates in β ladder)trans-117.3127.4173.9-55.7-172.1000111.1V486 S525 Y526 L528 F544 V574 F594 L596V486-L488 HydrophobicContact CG1-CD2 4.21Å; L488-S525 CarbonylContact O-C 3.51Å; L488-S525 WeakPolarHBondContact O-CA 3.39Å; L488-Y526 PolarHBondContact N-O 3.44Å; L488-Y526 PolarHBondContact O-N 2.69Å; L488-L528 HydrophobicContact CD1-CD1 3.35Å; L488-L528 HydrophobicContact CD1-CD2 4.34Å; L488-L528 HydrophobicContact CD1-CG 3.87Å; L488-L528 HydrophobicContact CD2-CD1 4.43Å; L488-L528 HydrophobicContact CG-CD1 3.84Å; L488-L528 HydrophobicContact CG-CG 4.01Å; L488-F544 HydrophobicContact CD1-CB 4.01Å; L488-F544 HydrophobicContact CD1-CD1 4.07Å; L488-F544 HydrophobicContact CD1-CG 4.07Å; L488-F544 HydrophobicContact CD2-CB 4.02Å; L488-F544 HydrophobicContact CD2-CD1 4.09Å; L488-F544 HydrophobicContact CD2-CD2 3.58Å; L488-F544 HydrophobicContact CD2-CE1 4.5Å; L488-F544 HydrophobicContact CD2-CE2 4.03Å; L488-F544 HydrophobicContact CD2-CG 3.63Å; L488-F544 HydrophobicContact CD2-CZ 4.47Å; L488-V574 HydrophobicContact CD1-CG1 3.91Å; L488-V574 HydrophobicContact CD1-CG2 4.37Å; L488-F594 CarbonylContact C-O 3.47Å; L488-F594 VanDerWaalsContact CA-O 3.32Å; L488-F594 WeakPolarHBondContact CA-O 3.26Å; L488-F594 HydrophobicContact CD2-CB 3.7Å; L488-L596 HydrophobicContact CB-CB 4.17Å; L488-L596 HydrophobicContact CD1-CB 4.36Å; L488-L596 HydrophobicContact CD1-CD1 4.09Å
489D92.1Very high82.6Confident50 Ų5057.9 Ų57.927%0.26732%0.319SS..EExtended strand (participates in β ladder)trans-99130.7174-73.6-35.1000111I524 F594 L596D489-I524 WeakPolarHBondContact CA-O 3.41Å; D489-F594 PolarHBondContact N-O 2.96Å; D489-L596 PolarHBondContact O-N 3.48Å
490S90.2Very high83.7Confident8 Ų854 Ų546%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-128.7144.8172.3-170.40000112.3K492 N523 I524S490-K492 PolarHBondContact OG-N 2.62Å; S490-K492 PolarHBondContact OG-O 3.21Å; S490-N523 WeakPolarHBondContact O-CA 3.39Å; S490-N523 WeakPolarHBondContact O-CB 3.42Å; S490-I524 PolarHBondContact N-O 3.34Å; S490-I524 PolarHBondContact O-N 3.42Å
491K83.1Confident84.8Confident182 Ų18250.3 Ų50.379%0.79128%0.275SS*.SBendtrans-81.1-16175.1-65.2-178.6-178.51750113.2
492K80.5Confident85.6Confident126 Ų12649.1 Ų49.155%0.54827%0.265SS..SBendtrans-124.3141.2-176-65.7175.3-172.5159.30109.6S490 G494 D598S490-K492 PolarHBondContact OG-N 2.62Å; S490-K492 PolarHBondContact OG-O 3.21Å; K492-G494 VanDerWaalsContact C-N 3.29Å; K492-G494 PolarHBondContact O-N 3.47Å; K492-D598 IonicContact NZ-OD2 3.01Å; K492-D598 PolarHBondContact NZ-OD2 3.18Å
493A69Low85.9Confident85 Ų8541.2 Ų41.270%0.70223%0.231SC*.  trans-67.692.2165.300000108.7I524A493-I524 HydrophobicContact CB-CD1 3.49Å; A493-I524 VanDerWaalsContact CB-CD1 3.49Å
494G67.3Low86Confident25 Ų2541.5 Ų41.526%0.25822%0.223SC..  trans-68166.7169.600000111K492 L496K492-G494 VanDerWaalsContact C-N 3.29Å; K492-G494 PolarHBondContact O-N 3.47Å; G494-L496 PolarHBondContact O-N 3.29Å
495Q70Confident85.7Confident109 Ų10949.6 Ų49.651%0.50925%0.253SS..SBendtrans-67.959.9158.9-65.2169.2-4.400109.3K546Q495-K546 VanDerWaalsContact N-CE 3.33Å
496L82.6Confident85.3Confident7 Ų749.7 Ų49.74%0.03727%0.271CS..  trans-124.8114.3175.5-145.296000107.8G494 D500 V512 Y526 G573 V574G494-L496 PolarHBondContact O-N 3.29Å; L496-D500 WeakPolarHBondContact CA-OD2 3.5Å; L496-V512 HydrophobicContact CD2-CG1 4.23Å; L496-V512 HydrophobicContact CD2-CG2 3.51Å; L496-V512 HydrophobicContact CG-CG2 3.96Å; L496-Y526 HydrophobicContact CB-CD1 4.43Å; L496-Y526 HydrophobicContact CB-CE1 3.77Å; L496-Y526 HydrophobicContact CD2-CD1 3.65Å; L496-Y526 HydrophobicContact CD2-CD2 4.32Å; L496-Y526 HydrophobicContact CD2-CE1 3.85Å; L496-Y526 HydrophobicContact CD2-CE2 4.48Å; L496-Y526 HydrophobicContact CD2-CG 3.89Å; L496-Y526 HydrophobicContact CG-CE1 4.41Å; L496-Y526 WeakPolarHBondContact O-CE1 3.08Å; L496-G573 WeakPolarHBondContact CD1-O 3.09Å; L496-V574 HydrophobicContact CD1-CG2 3.39Å; L496-V574 HydrophobicContact CD2-CG2 3.51Å; L496-V574 HydrophobicContact CG-CG2 4.02Å
497S81.7Confident85.1Confident42 Ų4256.3 Ų56.329%0.29430%0.298SS..  trans-117.8153.2-177.2-48.70000109.4G499 D500 V512S497-G499 PolarHBondContact O-N 2.98Å; S497-D500 PolarHBondContact N-OD2 3.03Å; S497-D500 WeakPolarHBondContact O-CB 3.49Å; S497-D500 PolarHBondContact O-N 3.49Å; S497-D500 VanDerWaalsContact O-N 3.13Å; S497-V512 WeakPolarHBondContact O-CB 3.37Å
498P85.1Confident84.9Confident69 Ų6961.2 Ų61.245%0.44831%0.313SS..THydrogen-bonded Turntrans-51.1131.5167.8-24.534.8000110.5L476 V512L476-P498 HydrophobicContact CD1-CB 3.92Å; P498-V512 CarbonylContact C-O 3.43Å; P498-V512 WeakPolarHBondContact CA-O 3.48Å
499G82.1Confident84.9Confident1 Ų161.3 Ų61.31%0.0131%0.314CS..THydrogen-bonded Turntrans106-31.2-175.100000114.5E440 S497 V512E440-G499 WeakPolarHBondContact OE1-CA 3.05Å; S497-G499 PolarHBondContact O-N 2.98Å; G499-V512 PolarHBondContact N-O 3.27Å
500D86.7Confident84.8Confident4 Ų459 Ų592%0.02130%0.302CS..PPolyproline II helixtrans-53.1141.1-175.3-80.2-30000111.8E440 L496 S497 S511 V512 S571E440-D500 PolarHBondContact OE1-N 3.46Å; L496-D500 WeakPolarHBondContact CA-OD2 3.5Å; S497-D500 PolarHBondContact N-OD2 3.03Å; S497-D500 WeakPolarHBondContact O-CB 3.49Å; S497-D500 PolarHBondContact O-N 3.49Å; S497-D500 VanDerWaalsContact O-N 3.13Å; D500-S511 CarbonylContact O-C 3.43Å; D500-S511 VanDerWaalsContact O-CA 3.29Å; D500-S511 WeakPolarHBondContact O-CA 3.45Å; D500-V512 HydrophobicContact CB-CG2 3.95Å; D500-V512 WeakPolarHBondContact O-CG2 3.48Å; D500-V512 PolarHBondContact O-N 3.08Å; D500-S571 WeakPolarHBondContact OD1-CB 3.07Å; D500-S571 PolarHBondContact OD1-OG 3.29Å
501P89.8Confident84.8Confident9 Ų959.1 Ų59.16%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-70.1140.1-172.229-35.8000111.7L503 R508 T568 G572 G573 V574P501-L503 HydrophobicContact CB-CD2 3.98Å; P501-R508 HydrophobicContact CB-CG 4.07Å; P501-T568 HydrophobicContact CG-CG2 4.16Å; P501-G572 WeakPolarHBondContact CD-O 3.33Å; P501-G573 WeakPolarHBondContact O-CA 3.44Å; P501-V574 PolarHBondContact O-N 2.92Å
502V92.4Very high85.2Confident0 Ų050.5 Ų50.50%027%0.265CS..EExtended strand (participates in β ladder)trans-99.3122.7164.6-171.70000108.7V509 G510 L528 I530 V574 F576V502-V509 HydrophobicContact CG1-CG2 4.46Å; V502-V509 WeakPolarHBondContact O-CG2 3.24Å; V502-V509 PolarHBondContact O-N 3.12Å; V502-G510 PolarHBondContact N-O 2.95Å; V502-G510 PolarHBondContact O-N 3.1Å; V502-L528 HydrophobicContact CG1-CD1 4.1Å; V502-L528 HydrophobicContact CG2-CB 4.25Å; V502-L528 HydrophobicContact CG2-CD1 3.74Å; V502-L528 HydrophobicContact CG2-CD2 3.85Å; V502-L528 HydrophobicContact CG2-CG 4.16Å; V502-I530 HydrophobicContact CB-CD1 3.89Å; V502-I530 HydrophobicContact CG1-CD1 3.54Å; V502-I530 HydrophobicContact CG2-CD1 4.26Å; V502-V574 CarbonylContact C-O 3.46Å; V502-V574 VanDerWaalsContact CA-O 3.3Å; V502-V574 WeakPolarHBondContact CA-O 3.49Å; V502-V574 HydrophobicContact CG1-CB 4.46Å; V502-F576 HydrophobicContact CG1-CD1 3.76Å; V502-F576 HydrophobicContact CG1-CE1 3.8Å
503L91.5Very high85.5Confident9 Ų946 Ų465%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-112140.2-172.6-52.4179.2000110.9P501 Y507 R508 T568 V574 S575 F576P501-L503 HydrophobicContact CB-CD2 3.98Å; L503-Y507 CarbonylContact C-O 3.49Å; L503-Y507 VanDerWaalsContact CA-O 3.26Å; L503-Y507 WeakPolarHBondContact CA-O 3.32Å; L503-R508 HydrophobicContact CD2-CB 3.9Å; L503-R508 HydrophobicContact CD2-CG 4.46Å; L503-T568 HydrophobicContact CD1-CG2 3.81Å; L503-V574 PolarHBondContact N-O 3.27Å; L503-S575 WeakPolarHBondContact CB-OG 3.39Å; L503-S575 WeakPolarHBondContact O-CA 3.28Å; L503-F576 WeakPolarHBondContact O-CD1 3.29Å; L503-F576 PolarHBondContact O-N 3.42Å
504F92.3Very high86.4Confident37 Ų3744.6 Ų44.616%0.16223%0.229CC..EExtended strand (participates in β ladder)trans-117.6115.4165.4178.4-101.4000107.4G506 Y507 V509 L537 F576F504-G506 PolarHBondContact O-N 3.2Å; F504-Y507 PolarHBondContact N-O 2.83Å; F504-Y507 WeakPolarHBondContact O-CB 3.29Å; F504-Y507 PolarHBondContact O-N 3.43Å; F504-V509 HydrophobicContact CB-CG1 3.81Å; F504-V509 HydrophobicContact CB-CG2 4.02Å; F504-L537 HydrophobicContact CB-CD1 4.38Å; F504-L537 HydrophobicContact CD1-CD1 3.71Å; F504-L537 HydrophobicContact CD2-CD1 4.39Å; F504-L537 HydrophobicContact CE1-CD1 4.01Å; F504-L537 HydrophobicContact CE1-CD2 4.39Å; F504-L537 HydrophobicContact CG-CD1 3.9Å; F504-L537 HydrophobicContact CZ-CD1 4.47Å; F504-L537 HydrophobicContact CZ-CD2 4.43Å; F504-F576 HydrophobicContact CB-CE1 4.12Å; F504-F576 HydrophobicContact CB-CE2 4.24Å; F504-F576 HydrophobicContact CB-CZ 3.88Å; F504-F576 AromaticContact CD2-CD2 3.7Å; F504-F576 HydrophobicContact CD2-CD2 3.7Å; F504-F576 AromaticContact CD2-CE2 3.38Å; F504-F576 HydrophobicContact CD2-CE2 3.38Å; F504-F576 HydrophobicContact CD2-CG 4.47Å; F504-F576 AromaticContact CD2-CZ 3.91Å; F504-F576 HydrophobicContact CD2-CZ 3.91Å; F504-F576 VanDerWaalsContact CD2-O 3.31Å; F504-F576 WeakPolarHBondContact CD2-O 3.49Å; F504-F576 HydrophobicContact CE2-CD2 4.35Å; F504-F576 HydrophobicContact CE2-CE2 4.1Å; F504-F576 HydrophobicContact CG-CE2 4.17Å; F504-F576 HydrophobicContact CG-CZ 4.26Å
505R88.2Confident87.4Confident182 Ų18245.9 Ų45.969%0.68723%0.234SC*.THydrogen-bonded Turntrans50.542.1-176.2-59.8-177.3175.5176.42.8113.5Y507 D577R505-Y507 VanDerWaalsContact C-N 3.26Å; R505-Y507 PolarHBondContact O-N 3.47Å; R505-D577 VanDerWaalsContact CG-OD2 3.3Å; R505-D577 WeakPolarHBondContact CG-OD2 3.47Å; R505-D577 IonicContact CZ-OD1 2.73Å; R505-D577 IonicContact CZ-OD2 2.75Å; R505-D577 IonicContact NE-OD1 3.55Å; R505-D577 IonicContact NE-OD2 2.82Å; R505-D577 PolarHBondContact NE-OD2 3.1Å; R505-D577 IonicContact NH2-OD1 3.76Å; R505-D577 PolarHBondContact NH2-OD1 3.12Å; R505-D577 IonicContact NH2-OD2 2.81Å
506G84.1Confident88.3Confident58 Ų5844.5 Ų44.560%0.59823%0.233SC*.THydrogen-bonded Turntrans79.6-3.9-178.600000115.5F504F504-G506 PolarHBondContact O-N 3.2Å
507Y89Confident88.7Confident140 Ų14049.9 Ų49.955%0.54926%0.257SS..EExtended strand (participates in β ladder)trans-97.5130178.7-171.9-94.8000111.5L503 F504 R505 V509 Y534L503-Y507 CarbonylContact C-O 3.49Å; L503-Y507 VanDerWaalsContact CA-O 3.26Å; L503-Y507 WeakPolarHBondContact CA-O 3.32Å; F504-Y507 PolarHBondContact N-O 2.83Å; F504-Y507 WeakPolarHBondContact O-CB 3.29Å; F504-Y507 PolarHBondContact O-N 3.43Å; R505-Y507 VanDerWaalsContact C-N 3.26Å; R505-Y507 PolarHBondContact O-N 3.47Å; Y507-V509 HydrophobicContact CD1-CG1 3.97Å; Y507-V509 PolarHBondContact O-N 2.89Å; Y507-Y534 HydrophobicContact CE1-CE1 4.32Å; Y507-Y534 HydrophobicContact CE1-CE2 4.21Å; Y507-Y534 AromaticContact CE1-CZ 3.74Å; Y507-Y534 WeakPolarHBondContact CE1-OH 3.03Å; Y507-Y534 PolarHBondContact OH-OH 2.99Å
508R91Very high88.9Confident143 Ų14350.1 Ų50.154%0.5426%0.255SS..EExtended strand (participates in β ladder)trans-69.6113.2179.9-173-178.2-175175.36.4111.1P501 L503 G510P501-R508 HydrophobicContact CB-CG 4.07Å; L503-R508 HydrophobicContact CD2-CB 3.9Å; L503-R508 HydrophobicContact CD2-CG 4.46Å; R508-G510 PolarHBondContact NE-O 3.49Å
509V93.5Very high89.1Confident2 Ų252 Ų521%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-109.3-14.4178.4-65.20000113V502 F504 Y507 I530 N531 Y534 L537 F576V502-V509 HydrophobicContact CG1-CG2 4.46Å; V502-V509 WeakPolarHBondContact O-CG2 3.24Å; V502-V509 PolarHBondContact O-N 3.12Å; F504-V509 HydrophobicContact CB-CG1 3.81Å; F504-V509 HydrophobicContact CB-CG2 4.02Å; Y507-V509 HydrophobicContact CD1-CG1 3.97Å; Y507-V509 PolarHBondContact O-N 2.89Å; V509-I530 HydrophobicContact CB-CG2 4.35Å; V509-I530 HydrophobicContact CG2-CD1 4.4Å; V509-I530 HydrophobicContact CG2-CG2 4.26Å; V509-N531 PolarHBondContact O-N 3.26Å; V509-N531 PolarHBondContact O-ND2 3.34Å; V509-Y534 HydrophobicContact CB-CD2 3.76Å; V509-Y534 HydrophobicContact CB-CG 3.83Å; V509-Y534 HydrophobicContact CG1-CD1 4Å; V509-Y534 HydrophobicContact CG1-CD2 3.83Å; V509-Y534 HydrophobicContact CG1-CE2 4.37Å; V509-Y534 HydrophobicContact CG1-CG 3.62Å; V509-L537 HydrophobicContact CG1-CD1 4.49Å; V509-F576 HydrophobicContact CG2-CE1 3.5Å; V509-F576 HydrophobicContact CG2-CZ 3.86Å
510G91.4Very high89.4Confident1 Ų160.4 Ų60.41%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-165.7-165.7-177.200000114.1V502 R508 F529V502-G510 PolarHBondContact N-O 2.95Å; V502-G510 PolarHBondContact O-N 3.1Å; R508-G510 PolarHBondContact NE-O 3.49Å; G510-F529 CarbonylContact C-O 3.55Å; G510-F529 WeakPolarHBondContact CA-O 3.42Å
511S90.5Very high89.5Confident11 Ų1166.8 Ų66.88%0.07733%0.331CS..EExtended strand (participates in β ladder)trans-146.7158.8175.350.50000111.4D500 E513 F529D500-S511 CarbonylContact O-C 3.43Å; D500-S511 VanDerWaalsContact O-CA 3.29Å; D500-S511 WeakPolarHBondContact O-CA 3.45Å; S511-E513 PolarHBondContact O-N 2.73Å; S511-F529 PolarHBondContact N-O 3.15Å; S511-F529 PolarHBondContact O-N 2.93Å
512V90.3Very high89.4Confident0 Ų075.8 Ų75.80%036%0.364CS..EExtended strand (participates in β ladder)trans-70.8115.2168.7-1770000108.4L476 L496 S497 P498 G499 D500 Y526 L528 V574L476-V512 VanDerWaalsContact CD1-O 3.32Å; L476-V512 WeakPolarHBondContact CD1-O 3.47Å; L496-V512 HydrophobicContact CD2-CG1 4.23Å; L496-V512 HydrophobicContact CD2-CG2 3.51Å; L496-V512 HydrophobicContact CG-CG2 3.96Å; S497-V512 WeakPolarHBondContact O-CB 3.37Å; P498-V512 CarbonylContact C-O 3.43Å; P498-V512 WeakPolarHBondContact CA-O 3.48Å; G499-V512 PolarHBondContact N-O 3.27Å; D500-V512 HydrophobicContact CB-CG2 3.95Å; D500-V512 WeakPolarHBondContact O-CG2 3.48Å; D500-V512 PolarHBondContact O-N 3.08Å; V512-Y526 HydrophobicContact CG1-CD1 4.23Å; V512-L528 HydrophobicContact CB-CD2 4Å; V512-L528 HydrophobicContact CG1-CD2 4.15Å; V512-L528 HydrophobicContact CG2-CD2 3.57Å; V512-V574 HydrophobicContact CG2-CG2 4.49Å
513E87.7Confident89.3Confident32 Ų3277.9 Ų77.915%0.1538%0.375CS..EExtended strand (participates in β ladder)trans-80.3-45.3-179.5-167.9177.1-165.200111.1R485 S511 Q527 F529R485-E513 WeakPolarHBondContact CD-OE2 3.28Å; R485-E513 IonicContact CZ-OE1 3.11Å; R485-E513 IonicContact NE-OE1 2.66Å; R485-E513 PolarHBondContact NE-OE1 2.81Å; R485-E513 IonicContact NE-OE2 3.43Å; R485-E513 PolarHBondContact NE-OE2 3.49Å; R485-E513 IonicContact NH2-OE1 3.17Å; R485-E513 PolarHBondContact NH2-OE1 2.96Å; S511-E513 PolarHBondContact O-N 2.73Å; E513-Q527 WeakPolarHBondContact CA-O 3.46Å; E513-Q527 WeakPolarHBondContact CB-O 3.4Å; E513-Q527 PolarHBondContact N-O 3.31Å; E513-Q527 PolarHBondContact OE2-NE2 2.67Å; E513-F529 HydrophobicContact CB-CB 4.39Å
514T87.3Confident89.2Confident56 Ų5678 Ų7834%0.34438%0.376SS..EExtended strand (participates in β ladder)trans-147.1160.5178.565.80000112.6Y526 Q527T514-Y526 CarbonylContact O-C 3.49Å; T514-Y526 WeakPolarHBondContact O-CA 3.17Å; T514-Q527 PolarHBondContact N-O 2.73Å; T514-Q527 PolarHBondContact O-N 2.88Å; T514-Q527 VanDerWaalsContact OG1-CB 3.23Å; T514-Q527 WeakPolarHBondContact OG1-CB 3.47Å
515S88.6Confident89.2Confident51 Ų5177.9 Ų77.936%0.35738%0.379SS..EExtended strand (participates in β ladder)trans-130.4121170.7175.20000108.2I524 Y526S515-I524 WeakPolarHBondContact OG-CG2 3.38Å; S515-Y526 VanDerWaalsContact OG-CE1 3.26Å; S515-Y526 WeakPolarHBondContact OG-CE1 3.27Å
516T88.8Confident89.4Confident81 Ų8169.3 Ų69.350%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-127.1123.5-178.2-570000109.8D518 S525T516-D518 PolarHBondContact O-N 2.85Å; T516-S525 PolarHBondContact N-O 2.74Å; T516-S525 PolarHBondContact O-N 3.49Å
517F89.8Confident89.8Confident120 Ų12068.5 Ų68.553%0.52633%0.328SS..EExtended strand (participates in β ladder)trans-83.5114.1174-176-99.2000109.8T519 I524F517-T519 HydrophobicContact CD1-CG2 3.75Å; F517-T519 HydrophobicContact CE1-CG2 3.95Å; F517-T519 PolarHBondContact O-N 2.89Å; F517-I524 HydrophobicContact CD2-CD1 4.35Å; F517-I524 HydrophobicContact CD2-CG1 3.61Å; F517-I524 HydrophobicContact CE2-CG1 4.37Å
518D87.5Confident90.1Very high47 Ų4761.9 Ų61.925%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-80.7103.7171.7-175.3-29.1000108.7T516 Q520 K521 R522 N523T516-D518 PolarHBondContact O-N 2.85Å; D518-Q520 PolarHBondContact O-N 2.87Å; D518-Q520 WeakPolarHBondContact OD1-CB 3.46Å; D518-Q520 PolarHBondContact OD1-N 3.5Å; D518-K521 HydrophobicContact CB-CB 4.16Å; D518-K521 PolarHBondContact O-N 2.77Å; D518-K521 PolarHBondContact OD1-N 2.77Å; D518-K521 WeakPolarHBondContact OD2-CD 3.04Å; D518-K521 WeakPolarHBondContact OD2-CE 3.22Å; D518-K521 VanDerWaalsContact OD2-CG 3.28Å; D518-K521 WeakPolarHBondContact OD2-CG 3.49Å; D518-K521 IonicContact OD2-NZ 3.57Å; D518-R522 WeakPolarHBondContact O-CA 3.39Å; D518-R522 PolarHBondContact O-N 3.04Å; D518-N523 PolarHBondContact N-O 2.97Å
519T88.2Confident90.2Very high108 Ų10855.2 Ų55.266%0.66328%0.277SS*.THydrogen-bonded Turntrans-64.4-27.2-177.855.10000113.2F517F517-T519 HydrophobicContact CD1-CG2 3.75Å; F517-T519 HydrophobicContact CE1-CG2 3.95Å; F517-T519 PolarHBondContact O-N 2.89Å
520Q89.4Confident90.2Very high178 Ų17855.1 Ų55.183%0.83228%0.276SS*.THydrogen-bonded Turntrans-80.2-46.2179.5-62.9-175-0.400110.9D518 R522D518-Q520 PolarHBondContact O-N 2.87Å; D518-Q520 WeakPolarHBondContact OD1-CB 3.46Å; D518-Q520 PolarHBondContact OD1-N 3.5Å; Q520-R522 VanDerWaalsContact C-N 3.35Å
521K87.9Confident90.2Very high137 Ų13758.4 Ų58.460%0.59629%0.293SS*.THydrogen-bonded Turntrans-80.1-15.4179.9-64.3-177.5-1671660113.8D518 N523D518-K521 HydrophobicContact CB-CB 4.16Å; D518-K521 PolarHBondContact O-N 2.77Å; D518-K521 PolarHBondContact OD1-N 2.77Å; D518-K521 WeakPolarHBondContact OD2-CD 3.04Å; D518-K521 WeakPolarHBondContact OD2-CE 3.22Å; D518-K521 VanDerWaalsContact OD2-CG 3.28Å; D518-K521 WeakPolarHBondContact OD2-CG 3.49Å; D518-K521 IonicContact OD2-NZ 3.57Å; K521-N523 HydrophobicContact CB-CB 4.38Å; K521-N523 PolarHBondContact O-N 3.19Å
522R88.9Confident90.2Very high199 Ų19959.8 Ų59.875%0.75131%0.306SS*.THydrogen-bonded Turntrans5631.9-172.4-54-179179.8-172.5-0.7112.9D518 Q520D518-R522 WeakPolarHBondContact O-CA 3.39Å; D518-R522 PolarHBondContact O-N 3.04Å; Q520-R522 VanDerWaalsContact C-N 3.35Å
523N89Confident90.4Very high43 Ų4363.8 Ų63.823%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-119.8157.4177.2-73.7-15000109.4S490 D518 K521S490-N523 WeakPolarHBondContact O-CA 3.39Å; S490-N523 WeakPolarHBondContact O-CB 3.42Å; D518-N523 PolarHBondContact N-O 2.97Å; K521-N523 HydrophobicContact CB-CB 4.38Å; K521-N523 PolarHBondContact O-N 3.19Å
524I89.7Confident90.7Very high13 Ų1365.5 Ų65.57%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-102124.5170.5-62.5159.4000107.8D489 S490 A493 S515 F517 Y526D489-I524 WeakPolarHBondContact CA-O 3.41Å; S490-I524 PolarHBondContact N-O 3.34Å; S490-I524 PolarHBondContact O-N 3.42Å; A493-I524 HydrophobicContact CB-CD1 3.49Å; A493-I524 VanDerWaalsContact CB-CD1 3.49Å; S515-I524 WeakPolarHBondContact OG-CG2 3.38Å; F517-I524 HydrophobicContact CD2-CD1 4.35Å; F517-I524 HydrophobicContact CD2-CG1 3.61Å; F517-I524 HydrophobicContact CE2-CG1 4.37Å; I524-Y526 HydrophobicContact CB-CE2 3.95Å; I524-Y526 HydrophobicContact CG2-CD1 4.2Å; I524-Y526 HydrophobicContact CG2-CD2 3.98Å; I524-Y526 HydrophobicContact CG2-CE1 3.73Å; I524-Y526 HydrophobicContact CG2-CE2 3.48Å; I524-Y526 VanDerWaalsContact CG2-CE2 3.48Å; I524-Y526 HydrophobicContact CG2-CG 4.32Å
525S92.1Very high90.9Very high33 Ų3365.1 Ų65.123%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-97.9115.2172.5167.30000108.3I487 L488 T516I487-S525 VanDerWaalsContact CG2-OG 3.31Å; I487-S525 WeakPolarHBondContact CG2-OG 3.36Å; L488-S525 CarbonylContact O-C 3.51Å; L488-S525 WeakPolarHBondContact O-CA 3.39Å; T516-S525 PolarHBondContact N-O 2.74Å; T516-S525 PolarHBondContact O-N 3.49Å
526Y92.5Very high91Very high2 Ų271.9 Ų71.91%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-96.8135172.5-59.1-84.6000109.6I487 L488 L496 V512 T514 S515 I524 L596I487-Y526 CarbonylContact C-O 3.5Å; I487-Y526 WeakPolarHBondContact CA-O 3.26Å; L488-Y526 PolarHBondContact N-O 3.44Å; L488-Y526 PolarHBondContact O-N 2.69Å; L496-Y526 HydrophobicContact CB-CD1 4.43Å; L496-Y526 HydrophobicContact CB-CE1 3.77Å; L496-Y526 HydrophobicContact CD2-CD1 3.65Å; L496-Y526 HydrophobicContact CD2-CD2 4.32Å; L496-Y526 HydrophobicContact CD2-CE1 3.85Å; L496-Y526 HydrophobicContact CD2-CE2 4.48Å; L496-Y526 HydrophobicContact CD2-CG 3.89Å; L496-Y526 HydrophobicContact CG-CE1 4.41Å; L496-Y526 WeakPolarHBondContact O-CE1 3.08Å; V512-Y526 HydrophobicContact CG1-CD1 4.23Å; T514-Y526 CarbonylContact O-C 3.49Å; T514-Y526 WeakPolarHBondContact O-CA 3.17Å; S515-Y526 VanDerWaalsContact OG-CE1 3.26Å; S515-Y526 WeakPolarHBondContact OG-CE1 3.27Å; I524-Y526 HydrophobicContact CB-CE2 3.95Å; I524-Y526 HydrophobicContact CG2-CD1 4.2Å; I524-Y526 HydrophobicContact CG2-CD2 3.98Å; I524-Y526 HydrophobicContact CG2-CE1 3.73Å; I524-Y526 HydrophobicContact CG2-CE2 3.48Å; I524-Y526 VanDerWaalsContact CG2-CE2 3.48Å; I524-Y526 HydrophobicContact CG2-CG 4.32Å; Y526-L596 HydrophobicContact CD2-CD2 4.19Å; Y526-L596 HydrophobicContact CE2-CD2 4.1Å
527Q93.4Very high91.2Very high42 Ų4270.8 Ų70.820%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-98.7122.4167.3-166.8170.3-73.500108.2R485 V486 E513 T514R485-Q527 HydrophobicContact CB-CG 4.48Å; V486-Q527 CarbonylContact O-C 3.52Å; V486-Q527 WeakPolarHBondContact O-CA 3.27Å; E513-Q527 WeakPolarHBondContact CA-O 3.46Å; E513-Q527 WeakPolarHBondContact CB-O 3.4Å; E513-Q527 PolarHBondContact N-O 3.31Å; E513-Q527 PolarHBondContact OE2-NE2 2.67Å; T514-Q527 PolarHBondContact N-O 2.73Å; T514-Q527 PolarHBondContact O-N 2.88Å; T514-Q527 VanDerWaalsContact OG1-CB 3.23Å; T514-Q527 WeakPolarHBondContact OG1-CB 3.47Å
528L93.4Very high91.5Very high0 Ų065.1 Ų65.10%032%0.317CS..EExtended strand (participates in β ladder)trans-100.2146.1173.3-57.2-169000110.2R485 V486 L488 V502 V512 F544 V574R485-L528 CarbonylContact C-O 3.54Å; R485-L528 WeakPolarHBondContact CA-O 3.48Å; V486-L528 PolarHBondContact N-O 2.84Å; V486-L528 PolarHBondContact O-N 2.64Å; L488-L528 HydrophobicContact CD1-CD1 3.35Å; L488-L528 HydrophobicContact CD1-CD2 4.34Å; L488-L528 HydrophobicContact CD1-CG 3.87Å; L488-L528 HydrophobicContact CD2-CD1 4.43Å; L488-L528 HydrophobicContact CG-CD1 3.84Å; L488-L528 HydrophobicContact CG-CG 4.01Å; V502-L528 HydrophobicContact CG1-CD1 4.1Å; V502-L528 HydrophobicContact CG2-CB 4.25Å; V502-L528 HydrophobicContact CG2-CD1 3.74Å; V502-L528 HydrophobicContact CG2-CD2 3.85Å; V502-L528 HydrophobicContact CG2-CG 4.16Å; V512-L528 HydrophobicContact CB-CD2 4Å; V512-L528 HydrophobicContact CG1-CD2 4.15Å; V512-L528 HydrophobicContact CG2-CD2 3.57Å; L528-F544 HydrophobicContact CD1-CD1 4.05Å; L528-F544 HydrophobicContact CD1-CE1 3.96Å; L528-V574 HydrophobicContact CD1-CG1 4.32Å
529F94.1Very high91.8Very high4 Ų463.4 Ų63.42%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-115119.6167.3-177.6-111.1000110.2A477 A481 R485 G510 S511 E513 N531A477-F529 HydrophobicContact CB-CB 4.31Å; A477-F529 HydrophobicContact CB-CD1 3.44Å; A477-F529 VanDerWaalsContact CB-CD1 3.44Å; A477-F529 HydrophobicContact CB-CD2 4.36Å; A477-F529 HydrophobicContact CB-CE1 3.75Å; A477-F529 HydrophobicContact CB-CG 3.77Å; A477-F529 HydrophobicContact CB-CZ 4.37Å; A481-F529 HydrophobicContact CB-CE1 3.65Å; A481-F529 HydrophobicContact CB-CE2 4.16Å; A481-F529 HydrophobicContact CB-CZ 3.3Å; R485-F529 HydrophobicContact CG-CD2 3.8Å; G510-F529 CarbonylContact C-O 3.55Å; G510-F529 WeakPolarHBondContact CA-O 3.42Å; S511-F529 PolarHBondContact N-O 3.15Å; S511-F529 PolarHBondContact O-N 2.93Å; E513-F529 HydrophobicContact CB-CB 4.39Å; F529-N531 WeakPolarHBondContact CE1-OD1 3.2Å
530I93.9Very high91.9Very high0 Ų062.1 Ų62.10%030%0.297CS..EExtended strand (participates in β ladder)trans-105.9119.9177.1-49.7-58.9000108.4G483 I484 V502 V509 V538 F576G483-I530 CarbonylContact C-O 3.54Å; G483-I530 WeakPolarHBondContact CA-O 3.45Å; I484-I530 HydrophobicContact CG2-CB 3.83Å; I484-I530 HydrophobicContact CG2-CG1 4.23Å; I484-I530 PolarHBondContact N-O 3.15Å; I484-I530 PolarHBondContact O-N 3.32Å; V502-I530 HydrophobicContact CB-CD1 3.89Å; V502-I530 HydrophobicContact CG1-CD1 3.54Å; V502-I530 HydrophobicContact CG2-CD1 4.26Å; V509-I530 HydrophobicContact CB-CG2 4.35Å; V509-I530 HydrophobicContact CG2-CD1 4.4Å; V509-I530 HydrophobicContact CG2-CG2 4.26Å; I530-V538 HydrophobicContact CB-CG2 4.47Å; I530-V538 HydrophobicContact CG1-CG2 4.05Å; I530-V538 HydrophobicContact CG2-CG2 4.34Å; I530-F576 HydrophobicContact CD1-CE1 4.18Å
531N91.9Very high92Very high69 Ų6955.6 Ų55.637%0.36927%0.268SS..EExtended strand (participates in β ladder)trans-69144.4-174.8-65.4-56000111.7V509 F529 Y534 D535V509-N531 PolarHBondContact O-N 3.26Å; V509-N531 PolarHBondContact O-ND2 3.34Å; F529-N531 WeakPolarHBondContact CE1-OD1 3.2Å; N531-Y534 HydrophobicContact CB-CD2 4.37Å; N531-Y534 WeakPolarHBondContact O-CA 3.34Å; N531-Y534 VanDerWaalsContact O-CB 3.27Å; N531-Y534 WeakPolarHBondContact O-CB 3.25Å; N531-Y534 PolarHBondContact O-N 3.16Å; N531-D535 PolarHBondContact O-N 3.43Å
532A90.4Very high92.3Very high41 Ų4149.1 Ų49.134%0.33924%0.24SC..THydrogen-bonded Turntrans-65137.2162.500000109.5K482K482-A532 HydrophobicContact CB-CB 3.76Å; K482-A532 WeakPolarHBondContact O-CB 3.09Å; K482-A532 PolarHBondContact O-N 2.92Å
533P92.8Very high92.5Very high84 Ų8442.7 Ų42.755%0.54522%0.216SC..THydrogen-bonded Turncis-93.710.513.837.9-37000115.3D535P533-D535 VanDerWaalsContact C-N 3.32Å
534Y94.2Very high92.7Very high68 Ų6840.6 Ų40.627%0.26721%0.205SC..G310 helixtrans-82.6-9.1-174.1-47.9-56.6000113.8Y507 V509 N531 R536 L537Y507-Y534 HydrophobicContact CE1-CE1 4.32Å; Y507-Y534 HydrophobicContact CE1-CE2 4.21Å; Y507-Y534 AromaticContact CE1-CZ 3.74Å; Y507-Y534 WeakPolarHBondContact CE1-OH 3.03Å; Y507-Y534 PolarHBondContact OH-OH 2.99Å; V509-Y534 HydrophobicContact CB-CD2 3.76Å; V509-Y534 HydrophobicContact CB-CG 3.83Å; V509-Y534 HydrophobicContact CG1-CD1 4Å; V509-Y534 HydrophobicContact CG1-CD2 3.83Å; V509-Y534 HydrophobicContact CG1-CE2 4.37Å; V509-Y534 HydrophobicContact CG1-CG 3.62Å; N531-Y534 HydrophobicContact CB-CD2 4.37Å; N531-Y534 WeakPolarHBondContact O-CA 3.34Å; N531-Y534 VanDerWaalsContact O-CB 3.27Å; N531-Y534 WeakPolarHBondContact O-CB 3.25Å; N531-Y534 PolarHBondContact O-N 3.16Å; Y534-R536 PolarHBondContact O-N 2.91Å; Y534-R536 VanDerWaalsContact O-N 3.15Å; Y534-L537 HydrophobicContact CD1-CD1 4.19Å; Y534-L537 VanDerWaalsContact O-CB 3.25Å; Y534-L537 WeakPolarHBondContact O-CB 3.37Å; Y534-L537 WeakPolarHBondContact O-CG 3.29Å; Y534-L537 PolarHBondContact O-N 2.87Å
535D91.4Very high92.7Very high48 Ų4841.7 Ų41.726%0.25721%0.208SC..G310 helixtrans-52.4-31.8171.659.2-41.3000112.7I484 N531 P533 L537 V538I484-D535 HydrophobicContact CB-CB 3.99Å; I484-D535 HydrophobicContact CG2-CB 3.73Å; N531-D535 PolarHBondContact O-N 3.43Å; P533-D535 VanDerWaalsContact C-N 3.32Å; D535-L537 PolarHBondContact O-N 2.9Å; D535-V538 PolarHBondContact O-N 3.05Å
536R91.6Very high92.5Very high192 Ų19241.9 Ų41.973%0.72521%0.205SC*.G310 helixtrans-67.9-16.9175.7-62.2-179.3178.6175-0.9114.6Y534 V538Y534-R536 PolarHBondContact O-N 2.91Å; Y534-R536 VanDerWaalsContact O-N 3.15Å; R536-V538 VanDerWaalsContact C-N 3.3Å
537L93.8Very high91.8Very high59 Ų5943.7 Ų43.731%0.30921%0.214SC..G310 helixtrans-78.8-16.8179.3-57.4176.5000112.1F504 V509 Y534 D535 T539 V542 F576F504-L537 HydrophobicContact CB-CD1 4.38Å; F504-L537 HydrophobicContact CD1-CD1 3.71Å; F504-L537 HydrophobicContact CD2-CD1 4.39Å; F504-L537 HydrophobicContact CE1-CD1 4.01Å; F504-L537 HydrophobicContact CE1-CD2 4.39Å; F504-L537 HydrophobicContact CG-CD1 3.9Å; F504-L537 HydrophobicContact CZ-CD1 4.47Å; F504-L537 HydrophobicContact CZ-CD2 4.43Å; V509-L537 HydrophobicContact CG1-CD1 4.49Å; Y534-L537 HydrophobicContact CD1-CD1 4.19Å; Y534-L537 VanDerWaalsContact O-CB 3.25Å; Y534-L537 WeakPolarHBondContact O-CB 3.37Å; Y534-L537 WeakPolarHBondContact O-CG 3.29Å; Y534-L537 PolarHBondContact O-N 2.87Å; D535-L537 PolarHBondContact O-N 2.9Å; L537-T539 PolarHBondContact O-N 3.22Å; L537-V542 WeakPolarHBondContact O-CG2 3.25Å; L537-F576 HydrophobicContact CB-CE2 4.07Å; L537-F576 HydrophobicContact CB-CZ 4.34Å
538V94.7Very high90.6Very high0 Ų043.6 Ų43.60%022%0.218CC..  trans-87.8107.1-179.5-167.40000109.6I484 V486 I530 D535 R536 F544 F576 P587 V588 F594I484-V538 HydrophobicContact CG2-CB 4.49Å; I484-V538 HydrophobicContact CG2-CG2 4.04Å; V486-V538 HydrophobicContact CG2-CG1 4.06Å; I530-V538 HydrophobicContact CB-CG2 4.47Å; I530-V538 HydrophobicContact CG1-CG2 4.05Å; I530-V538 HydrophobicContact CG2-CG2 4.34Å; D535-V538 PolarHBondContact O-N 3.05Å; R536-V538 VanDerWaalsContact C-N 3.3Å; V538-F544 HydrophobicContact CG1-CZ 4.17Å; V538-F576 HydrophobicContact CG2-CE2 4.41Å; V538-F576 HydrophobicContact CG2-CZ 4.3Å; V538-P587 WeakPolarHBondContact O-CA 3.31Å; V538-V588 HydrophobicContact CB-CG2 4.06Å; V538-V588 HydrophobicContact CG1-CG2 3.5Å; V538-V588 VanDerWaalsContact CG1-CG2 3.5Å; V538-V588 PolarHBondContact O-N 2.75Å; V538-V588 VanDerWaalsContact O-N 3.16Å; V538-F594 HydrophobicContact CG1-CE2 4.15Å; V538-F594 HydrophobicContact CG1-CZ 4.06Å
539T94.6Very high89.5Confident11 Ų1144.8 Ų44.87%0.06723%0.231CC..BIsolated β-bridgetrans-119.2170.2179.270.10000111.9L537 N541 V542 L584 Q586L537-T539 PolarHBondContact O-N 3.22Å; T539-N541 PolarHBondContact O-N 2.7Å; T539-N541 VanDerWaalsContact O-N 3.1Å; T539-V542 WeakPolarHBondContact O-CB 3.44Å; T539-V542 PolarHBondContact O-N 3.06Å; T539-V542 VanDerWaalsContact O-N 3.12Å; T539-L584 WeakPolarHBondContact CB-O 3.03Å; T539-L584 VanDerWaalsContact CG2-O 3.29Å; T539-L584 WeakPolarHBondContact CG2-O 3.07Å; T539-L584 PolarHBondContact OG1-O 3.4Å; T539-Q586 CarbonylContact C-O 3.45Å; T539-Q586 WeakPolarHBondContact CA-O 3.4Å; T539-Q586 VanDerWaalsContact CB-O 3.26Å; T539-Q586 WeakPolarHBondContact CB-O 3.46Å
540N91.1Very high88.6Confident82 Ų8249 Ų4944%0.43925%0.252SS..THydrogen-bonded Turntrans-56.4-27.4178.3-61.6-19.5000113.4R543 Q586 V588N540-R543 PolarHBondContact O-NH1 2.96Å; N540-Q586 PolarHBondContact N-O 3.05Å; N540-V588 WeakPolarHBondContact OD1-CG1 3.4Å
541N91.2Very high87.6Confident41 Ų4151.1 Ų51.122%0.21927%0.27CS..THydrogen-bonded Turntrans-95.4-5.9-176-68.6-10.4000113.4T539 V578 P579 D583T539-N541 PolarHBondContact O-N 2.7Å; T539-N541 VanDerWaalsContact O-N 3.1Å; N541-V578 HydrophobicContact CB-CG1 4.34Å; N541-P579 VanDerWaalsContact O-CD 3.31Å; N541-P579 WeakPolarHBondContact O-CD 3.42Å; N541-D583 PolarHBondContact ND2-O 3.29Å
542V93.4Very high86.8Confident0 Ų051.6 Ų51.60%028%0.275CS..  trans-62.4143.5172.6167.10000110.1L537 T539 F544 F576 V578L537-V542 WeakPolarHBondContact O-CG2 3.25Å; T539-V542 WeakPolarHBondContact O-CB 3.44Å; T539-V542 PolarHBondContact O-N 3.06Å; T539-V542 VanDerWaalsContact O-N 3.12Å; V542-F544 HydrophobicContact CG1-CD2 4.16Å; V542-F544 HydrophobicContact CG1-CE2 3.72Å; V542-F544 HydrophobicContact CG1-CZ 3.98Å; V542-F576 HydrophobicContact CG1-CB 3.7Å; V542-F576 HydrophobicContact CG1-CD2 3.43Å; V542-F576 VanDerWaalsContact CG1-CD2 3.43Å; V542-F576 HydrophobicContact CG1-CE2 4.37Å; V542-F576 HydrophobicContact CG1-CG 3.9Å; V542-F576 HydrophobicContact CG2-CD2 4.28Å; V542-V578 HydrophobicContact CG2-CG2 3.85Å
543R93.2Very high85.9Confident64 Ų6453 Ų5324%0.24228%0.277CS..EExtended strand (participates in β ladder)trans-127.2140.2172.9-62.1-67.3179.3-100.52.9109.1N540 F576 D577 P579 Y597 I603N540-R543 PolarHBondContact O-NH1 2.96Å; R543-F576 VanDerWaalsContact O-CA 3.29Å; R543-F576 WeakPolarHBondContact O-CA 3.45Å; R543-F576 WeakPolarHBondContact O-CB 3.45Å; R543-D577 PolarHBondContact N-O 3.34Å; R543-D577 PolarHBondContact O-N 3.48Å; R543-P579 HydrophobicContact CB-CG 4.12Å; R543-P579 HydrophobicContact CG-CG 3.69Å; R543-Y597 HydrophobicContact CB-CE2 4.45Å; R543-I603 HydrophobicContact CB-CD1 3.75Å; R543-I603 HydrophobicContact CB-CG1 4.18Å; R543-I603 HydrophobicContact CB-CG2 3.89Å; R543-I603 HydrophobicContact CG-CG2 3.88Å
544F93.7Very high84.7Confident0 Ų055 Ų550%028%0.283CS..EExtended strand (participates in β ladder)trans-107.6131.3-177.6-66.8-96.8000109.5V486 L488 L528 V538 V542 V574 S575 F576 F594 L596 Y597V486-F544 HydrophobicContact CG1-CE2 4.3Å; V486-F544 HydrophobicContact CG1-CZ 4.24Å; L488-F544 HydrophobicContact CD1-CB 4.01Å; L488-F544 HydrophobicContact CD1-CD1 4.07Å; L488-F544 HydrophobicContact CD1-CG 4.07Å; L488-F544 HydrophobicContact CD2-CB 4.02Å; L488-F544 HydrophobicContact CD2-CD1 4.09Å; L488-F544 HydrophobicContact CD2-CD2 3.58Å; L488-F544 HydrophobicContact CD2-CE1 4.5Å; L488-F544 HydrophobicContact CD2-CE2 4.03Å; L488-F544 HydrophobicContact CD2-CG 3.63Å; L488-F544 HydrophobicContact CD2-CZ 4.47Å; L528-F544 HydrophobicContact CD1-CD1 4.05Å; L528-F544 HydrophobicContact CD1-CE1 3.96Å; V538-F544 HydrophobicContact CG1-CZ 4.17Å; V542-F544 HydrophobicContact CG1-CD2 4.16Å; V542-F544 HydrophobicContact CG1-CE2 3.72Å; V542-F544 HydrophobicContact CG1-CZ 3.98Å; F544-V574 HydrophobicContact CB-CG1 3.99Å; F544-V574 HydrophobicContact CD1-CG1 3.78Å; F544-V574 HydrophobicContact CG-CG1 4.38Å; F544-S575 CarbonylContact C-O 3.6Å; F544-S575 WeakPolarHBondContact CA-O 3.46Å; F544-F576 HydrophobicContact CD1-CB 3.46Å; F544-F576 VanDerWaalsContact CD1-CB 3.46Å; F544-F576 HydrophobicContact CD1-CD1 4.06Å; F544-F576 HydrophobicContact CD1-CG 4.03Å; F544-F576 HydrophobicContact CD2-CB 4.49Å; F544-F576 HydrophobicContact CE1-CB 3.61Å; F544-F576 AromaticContact CE1-CD1 3.57Å; F544-F576 HydrophobicContact CE1-CD1 3.57Å; F544-F576 HydrophobicContact CE1-CE1 4.33Å; F544-F576 AromaticContact CE1-CG 3.66Å; F544-F576 HydrophobicContact CE1-CG 3.66Å; F544-F576 HydrophobicContact CG-CB 3.93Å; F544-F576 HydrophobicContact CZ-CB 4.21Å; F544-F576 HydrophobicContact CZ-CD1 4.39Å; F544-F576 HydrophobicContact CZ-CG 4.19Å; F544-F594 HydrophobicContact CD2-CB 3.83Å; F544-F594 HydrophobicContact CD2-CD1 4.21Å; F544-F594 HydrophobicContact CD2-CD2 4.38Å; F544-F594 AromaticContact CD2-CG 3.92Å; F544-F594 HydrophobicContact CD2-CG 3.92Å; F544-F594 HydrophobicContact CE2-CB 4.12Å; F544-F594 HydrophobicContact CE2-CD1 4.03Å; F544-F594 AromaticContact CE2-CD2 3.8Å; F544-F594 HydrophobicContact CE2-CD2 3.8Å; F544-F594 HydrophobicContact CE2-CE1 4.3Å; F544-F594 HydrophobicContact CE2-CE2 4.08Å; F544-F594 AromaticContact CE2-CG 3.74Å; F544-F594 HydrophobicContact CE2-CG 3.74Å; F544-F594 HydrophobicContact CE2-CZ 4.29Å; F544-L596 HydrophobicContact CB-CD1 4.27Å; F544-Y597 WeakPolarHBondContact O-CB 3.37Å; F544-Y597 WeakPolarHBondContact O-CD2 3.45Å; F544-Y597 PolarHBondContact O-N 3.38Å
545W90Very high83.5Confident35 Ų3555.1 Ų55.113%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-126.2159.6170.866.993.6000110.8D547 S575 D577 Y597 I603W545-D547 PolarHBondContact NE1-OD1 2.57Å; W545-D547 VanDerWaalsContact NE1-OD1 3.14Å; W545-S575 PolarHBondContact N-O 3.08Å; W545-S575 PolarHBondContact O-N 3.37Å; W545-D577 HydrophobicContact CH2-CB 3.93Å; W545-D577 HydrophobicContact CZ3-CB 4.07Å; W545-Y597 CarbonylContact C-O 3.6Å; W545-Y597 VanDerWaalsContact CA-O 3.27Å; W545-Y597 WeakPolarHBondContact CA-O 3.3Å; W545-I603 HydrophobicContact CB-CD1 3.99Å; W545-I603 HydrophobicContact CD2-CD1 4.21Å; W545-I603 HydrophobicContact CE3-CD1 3.54Å; W545-I603 HydrophobicContact CG-CD1 4.43Å; W545-I603 HydrophobicContact CZ3-CD1 4.36Å
546K87.7Confident82.1Confident38 Ų3858.8 Ų58.817%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-79.9125.8177.6-172.6176177.6-118.60110.5Q495 S548 L596 Y597Q495-K546 VanDerWaalsContact N-CE 3.33Å; K546-S548 VanDerWaalsContact CE-OG 3.28Å; K546-S548 WeakPolarHBondContact CE-OG 3.39Å; K546-S548 PolarHBondContact NZ-OG 3.31Å; K546-L596 HydrophobicContact CB-CD1 4.48Å; K546-Y597 PolarHBondContact N-O 2.77Å
547D78.3Confident81Confident39 Ų3954.4 Ų54.421%0.20933%0.325CS..  trans-101.6100.7168.3-95.7-6.5000108.1W545 T568 G572 G573 S575W545-D547 PolarHBondContact NE1-OD1 2.57Å; W545-D547 VanDerWaalsContact NE1-OD1 3.14Å; D547-T568 HydrophobicContact CB-CG2 4.4Å; D547-G572 CarbonylContact O-C 3.59Å; D547-G573 PolarHBondContact N-O 2.73Å; D547-G573 PolarHBondContact O-N 3.18Å; D547-S575 VanDerWaalsContact OD2-CB 3.31Å; D547-S575 WeakPolarHBondContact OD2-CB 3.32Å; D547-S575 PolarHBondContact OD2-OG 2.8Å
548S68Low79.6Confident41 Ų4153.3 Ų53.329%0.28733%0.327SS..  trans-149.4129.6175.863.90000111.4K546K546-S548 VanDerWaalsContact CE-OG 3.28Å; K546-S548 WeakPolarHBondContact CE-OG 3.39Å; K546-S548 PolarHBondContact NZ-OG 3.31Å
549G69.5Low78.8Confident25 Ų2559.6 Ų59.626%0.25836%0.359SS..SBendtrans79-166.1174.800000114.1
550I74.3Confident77.8Confident91 Ų9166.1 Ų66.147%0.46738%0.382SS..EExtended strand (participates in β ladder)trans-104.4113.9179.3-55.3165.4000106.4V552 V561 M563 L569I550-V552 HydrophobicContact CG2-CG2 3.92Å; I550-V561 HydrophobicContact CG2-CG1 3.76Å; I550-M563 HydrophobicContact CB-CE 4.5Å; I550-M563 HydrophobicContact CB-CG 4.45Å; I550-M563 HydrophobicContact CD1-CE 3.73Å; I550-M563 HydrophobicContact CG1-CE 3.9Å; I550-M563 HydrophobicContact CG1-CG 4.07Å; I550-M563 HydrophobicContact CG2-CE 3.78Å; I550-M563 HydrophobicContact CG2-CG 3.98Å; I550-L569 HydrophobicContact CD1-CD1 4.08Å; I550-L569 HydrophobicContact CG1-CD1 3.7Å
551A72.9Confident77Confident46 Ų4665.6 Ų65.638%0.3838%0.382SS..EExtended strand (participates in β ladder)trans-93.1119.4171.200000108.7V561 E562A551-V561 WeakPolarHBondContact O-CA 3.3Å; A551-E562 HydrophobicContact CB-CB 4.37Å; A551-E562 PolarHBondContact N-O 3.18Å; A551-E562 PolarHBondContact O-N 2.94Å
552V76.7Confident76Confident79 Ų7966.9 Ų66.948%0.47939%0.386SS..EExtended strand (participates in β ladder)trans-110.6105.4176178.20000107.8I550 M559 V561I550-V552 HydrophobicContact CG2-CG2 3.92Å; V552-M559 HydrophobicContact CG1-CG 4.11Å; V552-M559 HydrophobicContact CG1-SD 4.25Å; V552-V561 HydrophobicContact CG1-CG2 4.36Å; V552-V561 HydrophobicContact CG2-CG1 4.27Å; V552-V561 HydrophobicContact CG2-CG2 4.13Å
553D71.6Confident74.8Confident70 Ų7072.5 Ų72.537%0.37441%0.414SS..EExtended strand (participates in β ladder)trans-98.6123.9176.5-75.7-47.6000110.6T555 M559 R560D553-T555 HydrophobicContact CB-CG2 4.25Å; D553-M559 CarbonylContact O-C 3.51Å; D553-M559 WeakPolarHBondContact O-CA 3.47Å; D553-R560 HydrophobicContact CB-CB 4.5Å; D553-R560 PolarHBondContact N-O 3.07Å; D553-R560 PolarHBondContact O-N 2.87Å
554L67.7Low73.6Confident127 Ų12770.8 Ų70.867%0.66542%0.417SS*.EExtended strand (participates in β ladder)trans-98.298.4170.5-86146.4000108.7M559L554-M559 HydrophobicContact CD2-CB 4.24Å
555T68Low72.4Confident69 Ų6973.3 Ų73.342%0.42343%0.434SS..EExtended strand (participates in β ladder)trans-104167.1179720000111.2D553 A557 G558D553-T555 HydrophobicContact CB-CG2 4.25Å; T555-A557 PolarHBondContact O-N 3.37Å; T555-A557 PolarHBondContact OG1-N 3.4Å; T555-G558 PolarHBondContact N-O 3.19Å; T555-G558 PolarHBondContact O-N 3.12Å; T555-G558 VanDerWaalsContact O-N 3.1Å; T555-G558 PolarHBondContact OG1-N 2.84Å; T555-G558 PolarHBondContact OG1-O 3.04Å
556S61.5Low71.5Confident125 Ų12579 Ų7987%0.87447%0.466SS*.THydrogen-bonded Turntrans-62.7-20.5172.250.60000113.3
557A69.8Low70.5Confident100 Ų10081 Ų8183%0.82648%0.482SS*.THydrogen-bonded Turntrans-83.3-12.6175.400000113.5T555T555-A557 PolarHBondContact O-N 3.37Å; T555-A557 PolarHBondContact OG1-N 3.4Å
558G64.1Low70.1Confident36 Ų3679.2 Ų79.237%0.37147%0.472SS..EExtended strand (participates in β ladder)trans136.4179-176.700000113.1T555T555-G558 PolarHBondContact N-O 3.19Å; T555-G558 PolarHBondContact O-N 3.12Å; T555-G558 VanDerWaalsContact O-N 3.1Å; T555-G558 PolarHBondContact OG1-N 2.84Å; T555-G558 PolarHBondContact OG1-O 3.04Å
559M77.6Confident70.4Confident133 Ų13380.8 Ų80.866%0.65548%0.477SS*.EExtended strand (participates in β ladder)trans-79.8122.7171.3-178.8175.161.900109.2V552 D553 L554 V561V552-M559 HydrophobicContact CG1-CG 4.11Å; V552-M559 HydrophobicContact CG1-SD 4.25Å; D553-M559 CarbonylContact O-C 3.51Å; D553-M559 WeakPolarHBondContact O-CA 3.47Å; L554-M559 HydrophobicContact CD2-CB 4.24Å; M559-V561 HydrophobicContact CG-CG2 4.32Å
560R72.8Confident70.4Confident148 Ų14885.7 Ų85.756%0.55850%0.497SS*.EExtended strand (participates in β ladder)trans-113.1123.7175.3-175.4170.9170.2150.6-6.1107.8D553 E562D553-R560 HydrophobicContact CB-CB 4.5Å; D553-R560 PolarHBondContact N-O 3.07Å; D553-R560 PolarHBondContact O-N 2.87Å; R560-E562 HydrophobicContact CG-CG 4.17Å; R560-E562 IonicContact CZ-OE1 3.06Å; R560-E562 IonicContact NE-OE1 3.58Å; R560-E562 PolarHBondContact NE-OE1 3.41Å; R560-E562 IonicContact NH2-OE1 3.89Å; R560-E562 PolarHBondContact NH2-OE1 2.98Å
561V76Confident70.2Confident71 Ų7181.8 Ų81.843%0.4348%0.477SS..EExtended strand (participates in β ladder)trans-109.1112.5175.5-178.90000107I550 A551 V552 M559 M563I550-V561 HydrophobicContact CG2-CG1 3.76Å; A551-V561 WeakPolarHBondContact O-CA 3.3Å; V552-V561 HydrophobicContact CG1-CG2 4.36Å; V552-V561 HydrophobicContact CG2-CG1 4.27Å; V552-V561 HydrophobicContact CG2-CG2 4.13Å; M559-V561 HydrophobicContact CG-CG2 4.32Å; V561-M563 HydrophobicContact CG1-CE 4.1Å; V561-M563 HydrophobicContact CG1-CG 4.09Å
562E70.3Confident70.5Confident68 Ų6879.6 Ų79.632%0.31846%0.459SS..EExtended strand (participates in β ladder)trans-97.8111173-58.8-167.2158.100107.9A551 R560A551-E562 HydrophobicContact CB-CB 4.37Å; A551-E562 PolarHBondContact N-O 3.18Å; A551-E562 PolarHBondContact O-N 2.94Å; R560-E562 HydrophobicContact CG-CG 4.17Å; R560-E562 IonicContact CZ-OE1 3.06Å; R560-E562 IonicContact NE-OE1 3.58Å; R560-E562 PolarHBondContact NE-OE1 3.41Å; R560-E562 IonicContact NH2-OE1 3.89Å; R560-E562 PolarHBondContact NH2-OE1 2.98Å
563M68.3Low71Confident117 Ų11775.8 Ų75.858%0.57644%0.436SS*.EExtended strand (participates in β ladder)trans-110.5125172.4-79.4-177.4-178.700108.2I550 V561I550-M563 HydrophobicContact CB-CE 4.5Å; I550-M563 HydrophobicContact CB-CG 4.45Å; I550-M563 HydrophobicContact CD1-CE 3.73Å; I550-M563 HydrophobicContact CG1-CE 3.9Å; I550-M563 HydrophobicContact CG1-CG 4.07Å; I550-M563 HydrophobicContact CG2-CE 3.78Å; I550-M563 HydrophobicContact CG2-CG 3.98Å; V561-M563 HydrophobicContact CG1-CE 4.1Å; V561-M563 HydrophobicContact CG1-CG 4.09Å
564G67.1Low72Confident29 Ų2972.5 Ų72.530%0.29942%0.419SS..  trans-66-179.9164.700000111.7T568G564-T568 VanDerWaalsContact C-OG1 3.22Å; G564-T568 VanDerWaalsContact CA-OG1 3.24Å; G564-T568 WeakPolarHBondContact CA-OG1 3.31Å
565S69.2Low73.1Confident52 Ų5266.6 Ų66.636%0.36439%0.388SS..  trans-59.9158.2171.567.50000111.4T567 T568 L569S565-T567 PolarHBondContact O-N 2.88Å; S565-T567 PolarHBondContact OG-OG1 3.29Å; S565-T568 PolarHBondContact N-OG1 3.49Å; S565-T568 PolarHBondContact O-N 2.75Å; S565-T568 PolarHBondContact O-OG1 2.81Å; S565-T568 PolarHBondContact OG-N 3.4Å; S565-T568 PolarHBondContact OG-OG1 3.49Å; S565-L569 PolarHBondContact O-N 3.06Å
566L69.8Low74.3Confident154 Ų15463.3 Ų63.381%0.80637%0.368SS*.Hα-helixtrans-48.8-34.7175.3-85.1135000113.2
567T66.9Low75.8Confident82 Ų8259 Ų5950%0.50334%0.335SS..Hα-helixtrans-67.9-47.8175.853.30000111.8S565 L569 L570 S571S565-T567 PolarHBondContact O-N 2.88Å; S565-T567 PolarHBondContact OG-OG1 3.29Å; T567-L569 PolarHBondContact O-N 3.12Å; T567-L570 PolarHBondContact O-N 3.28Å; T567-L570 VanDerWaalsContact O-N 3.07Å; T567-S571 PolarHBondContact O-N 3.25Å; T567-S571 PolarHBondContact O-OG 2.77Å
568T70.5Confident76.9Confident1 Ų155.4 Ų55.41%0.00630%0.303CS..Hα-helixtrans-66.8-21.9178.757.50000114.1P501 L503 D547 G564 S565 L570 G572P501-T568 HydrophobicContact CG-CG2 4.16Å; L503-T568 HydrophobicContact CD1-CG2 3.81Å; D547-T568 HydrophobicContact CB-CG2 4.4Å; G564-T568 VanDerWaalsContact C-OG1 3.22Å; G564-T568 VanDerWaalsContact CA-OG1 3.24Å; G564-T568 WeakPolarHBondContact CA-OG1 3.31Å; S565-T568 PolarHBondContact N-OG1 3.49Å; S565-T568 PolarHBondContact O-N 2.75Å; S565-T568 PolarHBondContact O-OG1 2.81Å; S565-T568 PolarHBondContact OG-N 3.4Å; S565-T568 PolarHBondContact OG-OG1 3.49Å; T568-L570 VanDerWaalsContact C-N 3.34Å; T568-G572 WeakPolarHBondContact CA-O 3.42Å; T568-G572 WeakPolarHBondContact O-CA 3.23Å; T568-G572 PolarHBondContact O-N 2.8Å
569L73.8Confident77.9Confident73 Ų7354.8 Ų54.838%0.38229%0.292SS..Hα-helixtrans-72.1-30173.6-166.3143000112.1I550 S565 T567I550-L569 HydrophobicContact CD1-CD1 4.08Å; I550-L569 HydrophobicContact CG1-CD1 3.7Å; S565-L569 PolarHBondContact O-N 3.06Å; T567-L569 PolarHBondContact O-N 3.12Å
570L69.2Low77.9Confident129 Ų12957.4 Ų57.468%0.67530%0.303SS*.Hα-helixtrans-97.2-42.9-176.7-68.3173.7000113.9T567 T568T567-L570 PolarHBondContact O-N 3.28Å; T567-L570 VanDerWaalsContact O-N 3.07Å; T568-L570 VanDerWaalsContact C-N 3.34Å
571S70Confident77.9Confident8 Ų853.5 Ų53.56%0.05631%0.309CS..THydrogen-bonded Turntrans-107.8-30.1-174.277.60000113.5D500 T567D500-S571 WeakPolarHBondContact OD1-CB 3.07Å; D500-S571 PolarHBondContact OD1-OG 3.29Å; T567-S571 PolarHBondContact O-N 3.25Å; T567-S571 PolarHBondContact O-OG 2.77Å
572G79.6Confident78.1Confident0 Ų053 Ų530%030%0.304CS..  trans106.2-177-170.300000111.8P501 D547 T568P501-G572 WeakPolarHBondContact CD-O 3.33Å; D547-G572 CarbonylContact O-C 3.59Å; T568-G572 WeakPolarHBondContact CA-O 3.42Å; T568-G572 WeakPolarHBondContact O-CA 3.23Å; T568-G572 PolarHBondContact O-N 2.8Å
573G87.9Confident78.7Confident0 Ų056.3 Ų56.30%032%0.323CS..  trans179.1164-179.400000112.5L496 P501 D547L496-G573 WeakPolarHBondContact CD1-O 3.09Å; P501-G573 WeakPolarHBondContact O-CA 3.44Å; D547-G573 PolarHBondContact N-O 2.73Å; D547-G573 PolarHBondContact O-N 3.18Å
574V91.3Very high79.5Confident0 Ų057 Ų570%033%0.329CS..EExtended strand (participates in β ladder)trans-117.6131.2170.6-174.30000108.5L488 L496 P501 V502 L503 V512 L528 F544 L596L488-V574 HydrophobicContact CD1-CG1 3.91Å; L488-V574 HydrophobicContact CD1-CG2 4.37Å; L496-V574 HydrophobicContact CD1-CG2 3.39Å; L496-V574 HydrophobicContact CD2-CG2 3.51Å; L496-V574 HydrophobicContact CG-CG2 4.02Å; P501-V574 PolarHBondContact O-N 2.92Å; V502-V574 CarbonylContact C-O 3.46Å; V502-V574 VanDerWaalsContact CA-O 3.3Å; V502-V574 WeakPolarHBondContact CA-O 3.49Å; V502-V574 HydrophobicContact CG1-CB 4.46Å; L503-V574 PolarHBondContact N-O 3.27Å; V512-V574 HydrophobicContact CG2-CG2 4.49Å; L528-V574 HydrophobicContact CD1-CG1 4.32Å; F544-V574 HydrophobicContact CB-CG1 3.99Å; F544-V574 HydrophobicContact CD1-CG1 3.78Å; F544-V574 HydrophobicContact CG-CG1 4.38Å; V574-L596 HydrophobicContact CG1-CD1 3.89Å; V574-L596 HydrophobicContact CG2-CD1 4.39Å
575S91.8Very high80.5Confident4 Ų457.5 Ų57.53%0.02833%0.334CS..EExtended strand (participates in β ladder)trans-110.9151.1170.1-83.20000110.8L503 F544 W545 D547L503-S575 WeakPolarHBondContact CB-OG 3.39Å; L503-S575 WeakPolarHBondContact O-CA 3.28Å; F544-S575 CarbonylContact C-O 3.6Å; F544-S575 WeakPolarHBondContact CA-O 3.46Å; W545-S575 PolarHBondContact N-O 3.08Å; W545-S575 PolarHBondContact O-N 3.37Å; D547-S575 VanDerWaalsContact OD2-CB 3.31Å; D547-S575 WeakPolarHBondContact OD2-CB 3.32Å; D547-S575 PolarHBondContact OD2-OG 2.8Å
576F93.7Very high81.5Confident0 Ų061.9 Ų61.90%035%0.348CS..EExtended strand (participates in β ladder)trans-142.9151173.673.2-92.2000112.5V502 L503 F504 V509 I530 L537 V538 V542 R543 F544V502-F576 HydrophobicContact CG1-CD1 3.76Å; V502-F576 HydrophobicContact CG1-CE1 3.8Å; L503-F576 WeakPolarHBondContact O-CD1 3.29Å; L503-F576 PolarHBondContact O-N 3.42Å; F504-F576 HydrophobicContact CB-CE1 4.12Å; F504-F576 HydrophobicContact CB-CE2 4.24Å; F504-F576 HydrophobicContact CB-CZ 3.88Å; F504-F576 AromaticContact CD2-CD2 3.7Å; F504-F576 HydrophobicContact CD2-CD2 3.7Å; F504-F576 AromaticContact CD2-CE2 3.38Å; F504-F576 HydrophobicContact CD2-CE2 3.38Å; F504-F576 HydrophobicContact CD2-CG 4.47Å; F504-F576 AromaticContact CD2-CZ 3.91Å; F504-F576 HydrophobicContact CD2-CZ 3.91Å; F504-F576 VanDerWaalsContact CD2-O 3.31Å; F504-F576 WeakPolarHBondContact CD2-O 3.49Å; F504-F576 HydrophobicContact CE2-CD2 4.35Å; F504-F576 HydrophobicContact CE2-CE2 4.1Å; F504-F576 HydrophobicContact CG-CE2 4.17Å; F504-F576 HydrophobicContact CG-CZ 4.26Å; V509-F576 HydrophobicContact CG2-CE1 3.5Å; V509-F576 HydrophobicContact CG2-CZ 3.86Å; I530-F576 HydrophobicContact CD1-CE1 4.18Å; L537-F576 HydrophobicContact CB-CE2 4.07Å; L537-F576 HydrophobicContact CB-CZ 4.34Å; V538-F576 HydrophobicContact CG2-CE2 4.41Å; V538-F576 HydrophobicContact CG2-CZ 4.3Å; V542-F576 HydrophobicContact CG1-CB 3.7Å; V542-F576 HydrophobicContact CG1-CD2 3.43Å; V542-F576 VanDerWaalsContact CG1-CD2 3.43Å; V542-F576 HydrophobicContact CG1-CE2 4.37Å; V542-F576 HydrophobicContact CG1-CG 3.9Å; V542-F576 HydrophobicContact CG2-CD2 4.28Å; R543-F576 VanDerWaalsContact O-CA 3.29Å; R543-F576 WeakPolarHBondContact O-CA 3.45Å; R543-F576 WeakPolarHBondContact O-CB 3.45Å; F544-F576 HydrophobicContact CD1-CB 3.46Å; F544-F576 VanDerWaalsContact CD1-CB 3.46Å; F544-F576 HydrophobicContact CD1-CD1 4.06Å; F544-F576 HydrophobicContact CD1-CG 4.03Å; F544-F576 HydrophobicContact CD2-CB 4.49Å; F544-F576 HydrophobicContact CE1-CB 3.61Å; F544-F576 AromaticContact CE1-CD1 3.57Å; F544-F576 HydrophobicContact CE1-CD1 3.57Å; F544-F576 HydrophobicContact CE1-CE1 4.33Å; F544-F576 AromaticContact CE1-CG 3.66Å; F544-F576 HydrophobicContact CE1-CG 3.66Å; F544-F576 HydrophobicContact CG-CB 3.93Å; F544-F576 HydrophobicContact CZ-CB 4.21Å; F544-F576 HydrophobicContact CZ-CD1 4.39Å; F544-F576 HydrophobicContact CZ-CG 4.19Å
577D92.7Very high82.5Confident34 Ų3458.9 Ų58.918%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-158.4173.2171.9-148.3-27.8000109.2R505 R543 W545R505-D577 VanDerWaalsContact CG-OD2 3.3Å; R505-D577 WeakPolarHBondContact CG-OD2 3.47Å; R505-D577 IonicContact CZ-OD1 2.73Å; R505-D577 IonicContact CZ-OD2 2.75Å; R505-D577 IonicContact NE-OD1 3.55Å; R505-D577 IonicContact NE-OD2 2.82Å; R505-D577 PolarHBondContact NE-OD2 3.1Å; R505-D577 IonicContact NH2-OD1 3.76Å; R505-D577 PolarHBondContact NH2-OD1 3.12Å; R505-D577 IonicContact NH2-OD2 2.81Å; R543-D577 PolarHBondContact N-O 3.34Å; R543-D577 PolarHBondContact O-N 3.48Å; W545-D577 HydrophobicContact CH2-CB 3.93Å; W545-D577 HydrophobicContact CZ3-CB 4.07Å
578V91.3Very high83.7Confident25 Ų2555.6 Ų55.615%0.15232%0.318CS..PPolyproline II helixtrans-86.6120.1167-179.50000107.6N541 V542 L582 L584N541-V578 HydrophobicContact CB-CG1 4.34Å; V542-V578 HydrophobicContact CG2-CG2 3.85Å; V578-L582 HydrophobicContact CG1-CB 4.08Å; V578-L584 HydrophobicContact CG2-CD2 4.23Å
579P85.2Confident84.7Confident22 Ų2258.5 Ų58.514%0.14334%0.342CS..PPolyproline II helixtrans-58.7146.1179.9-21.932000112.2N541 R543 G581 L582 I603 L607N541-P579 VanDerWaalsContact O-CD 3.31Å; N541-P579 WeakPolarHBondContact O-CD 3.42Å; R543-P579 HydrophobicContact CB-CG 4.12Å; R543-P579 HydrophobicContact CG-CG 3.69Å; P579-G581 PolarHBondContact O-N 3.06Å; P579-L582 HydrophobicContact CB-CD1 4.05Å; P579-L582 HydrophobicContact CG-CD1 4.01Å; P579-L582 PolarHBondContact O-N 2.91Å; P579-I603 HydrophobicContact CB-CG2 4.44Å; P579-I603 HydrophobicContact CG-CG2 3.83Å; P579-L607 HydrophobicContact CB-CD1 3.89Å; P579-L607 HydrophobicContact CB-CD2 4.29Å; P579-L607 HydrophobicContact CG-CD2 4.17Å
580E79.2Confident85.5Confident188 Ų18859.5 Ų59.588%0.87935%0.353SS*.THydrogen-bonded Turntrans-57.3131.7-179-65.3-176.7177.200111.6
581G72.6Confident86.6Confident67 Ų6759.7 Ų59.769%0.69135%0.349SS*.THydrogen-bonded Turntrans94-7.1179.400000115.5P579P579-G581 PolarHBondContact O-N 3.06Å
582L79.2Confident87.7Confident61 Ų6161.6 Ų61.632%0.31936%0.36SS..SBendtrans-95145170.9-72.7164.7000111.2V578 P579 L607V578-L582 HydrophobicContact CG1-CB 4.08Å; P579-L582 HydrophobicContact CB-CD1 4.05Å; P579-L582 HydrophobicContact CG-CD1 4.01Å; P579-L582 PolarHBondContact O-N 2.91Å; L582-L607 HydrophobicContact CD1-CD2 3.71Å
583D83.7Confident88.4Confident137 Ų13764.4 Ų64.473%0.73338%0.383SS*.  trans-64156168-70.4-39.9000110.9N541 G585N541-D583 PolarHBondContact ND2-O 3.29Å; D583-G585 PolarHBondContact O-N 2.97Å; D583-G585 VanDerWaalsContact O-N 3.08Å
584L85Confident88.7Confident131 Ų13165.2 Ų65.269%0.68639%0.387SS*.  trans-56.7-28.9178.5-69.9172000112.7T539 V578T539-L584 WeakPolarHBondContact CB-O 3.03Å; T539-L584 VanDerWaalsContact CG2-O 3.29Å; T539-L584 WeakPolarHBondContact CG2-O 3.07Å; T539-L584 PolarHBondContact OG1-O 3.4Å; V578-L584 HydrophobicContact CG2-CD2 4.23Å
585G87.1Confident88.7Confident39 Ų3969.1 Ų69.140%0.40241%0.41SS..  trans71.2-169.3-176.200000113D583D583-G585 PolarHBondContact O-N 2.97Å; D583-G585 VanDerWaalsContact O-N 3.08Å
586Q90.6Very high88.7Confident144 Ų14469.5 Ų69.567%0.67341%0.412SS*.PPolyproline II helixtrans-102.8148.6179.5-65.1179.3-2.800110.8T539 N540T539-Q586 CarbonylContact C-O 3.45Å; T539-Q586 WeakPolarHBondContact CA-O 3.4Å; T539-Q586 VanDerWaalsContact CB-O 3.26Å; T539-Q586 WeakPolarHBondContact CB-O 3.46Å; N540-Q586 PolarHBondContact N-O 3.05Å
587P90.4Very high88.5Confident91 Ų9171.3 Ų71.359%0.59142%0.419SS*.BIsolated β-bridgetrans-56141.1172.9-24.434.1000112.1V538V538-P587 WeakPolarHBondContact O-CA 3.31Å
588V93.3Very high88Confident13 Ų1373.4 Ų73.48%0.07943%0.43CS..PPolyproline II helixtrans-83.3156.8-178.9-75.10000113.3I484 V538 N540 T592 F594I484-V588 HydrophobicContact CD1-CG2 3.78Å; I484-V588 VanDerWaalsContact CD1-O 3.25Å; I484-V588 WeakPolarHBondContact CD1-O 3.31Å; V538-V588 HydrophobicContact CB-CG2 4.06Å; V538-V588 HydrophobicContact CG1-CG2 3.5Å; V538-V588 VanDerWaalsContact CG1-CG2 3.5Å; V538-V588 PolarHBondContact O-N 2.75Å; V538-V588 VanDerWaalsContact O-N 3.16Å; N540-V588 WeakPolarHBondContact OD1-CG1 3.4Å; V588-T592 HydrophobicContact CB-CG2 4.36Å; V588-T592 HydrophobicContact CG1-CG2 4.05Å; V588-F594 HydrophobicContact CG1-CE2 4.35Å; V588-F594 HydrophobicContact CG1-CZ 3.75Å; V588-F594 HydrophobicContact CG2-CE2 4.25Å; V588-F594 HydrophobicContact CG2-CZ 4.18Å
589A91.9Very high87.5Confident63 Ų6375.8 Ų75.852%0.52144%0.442SS..PPolyproline II helixtrans-70.5151.6165.800000111.1T592A589-T592 WeakPolarHBondContact O-CB 3.38Å; A589-T592 PolarHBondContact O-N 3.21Å; A589-T592 PolarHBondContact O-OG1 3.35Å
590P90Very high87.3Confident93 Ų9378.8 Ų78.860%0.60445%0.454SS*.THydrogen-bonded Turntrans-55.5144.2172.6-23.933.3000112.3I484 T592I484-P590 HydrophobicContact CG1-CB 4.37Å; I484-P590 HydrophobicContact CG1-CG 4.39Å; P590-T592 VanDerWaalsContact C-N 3.26Å; P590-T592 PolarHBondContact O-N 2.78Å
591K91.1Very high87.2Confident134 Ų13475.8 Ų75.858%0.58344%0.438SS*.THydrogen-bonded Turntrans65.619.2-178-53.5-176.7177.9-174.70115.1R485 I487 A593R485-K591 PolarHBondContact O-N 3Å; I487-K591 HydrophobicContact CD1-CB 4.14Å; K591-A593 PolarHBondContact O-N 3.44Å
592T94.3Very high87.5Confident47 Ų4774.2 Ų74.229%0.28842%0.417SS..  trans-61.6135.7167-58.50000109.5I487 V588 A589 P590 F594I487-T592 PolarHBondContact N-O 3.02Å; V588-T592 HydrophobicContact CB-CG2 4.36Å; V588-T592 HydrophobicContact CG1-CG2 4.05Å; A589-T592 WeakPolarHBondContact O-CB 3.38Å; A589-T592 PolarHBondContact O-N 3.21Å; A589-T592 PolarHBondContact O-OG1 3.35Å; P590-T592 VanDerWaalsContact C-N 3.26Å; P590-T592 PolarHBondContact O-N 2.78Å; T592-F594 HydrophobicContact CG2-CE2 4.04Å; T592-F594 HydrophobicContact CG2-CZ 4.4Å
593A93.3Very high87.6Confident60 Ų6071.6 Ų71.650%0.49640%0.403SS..EExtended strand (participates in β ladder)trans-90.1134.318000000111.1I487 K591I487-A593 HydrophobicContact CB-CB 4.44Å; I487-A593 CarbonylContact O-C 3.49Å; I487-A593 VanDerWaalsContact O-CA 3.3Å; I487-A593 WeakPolarHBondContact O-CA 3.33Å; K591-A593 PolarHBondContact O-N 3.44Å
594F94Very high87Confident17 Ų1769.8 Ų69.88%0.07539%0.39CS..EExtended strand (participates in β ladder)trans-124.9161172.3-64.1-98.9000110.4V486 I487 L488 D489 V538 F544 V588 T592V486-F594 HydrophobicContact CG1-CD2 3.29Å; V486-F594 HydrophobicContact CG1-CE2 3.51Å; V486-F594 HydrophobicContact CG1-CG 4.46Å; I487-F594 PolarHBondContact O-N 3.04Å; L488-F594 CarbonylContact C-O 3.47Å; L488-F594 VanDerWaalsContact CA-O 3.32Å; L488-F594 WeakPolarHBondContact CA-O 3.26Å; L488-F594 HydrophobicContact CD2-CB 3.7Å; D489-F594 PolarHBondContact N-O 2.96Å; V538-F594 HydrophobicContact CG1-CE2 4.15Å; V538-F594 HydrophobicContact CG1-CZ 4.06Å; F544-F594 HydrophobicContact CD2-CB 3.83Å; F544-F594 HydrophobicContact CD2-CD1 4.21Å; F544-F594 HydrophobicContact CD2-CD2 4.38Å; F544-F594 AromaticContact CD2-CG 3.92Å; F544-F594 HydrophobicContact CD2-CG 3.92Å; F544-F594 HydrophobicContact CE2-CB 4.12Å; F544-F594 HydrophobicContact CE2-CD1 4.03Å; F544-F594 AromaticContact CE2-CD2 3.8Å; F544-F594 HydrophobicContact CE2-CD2 3.8Å; F544-F594 HydrophobicContact CE2-CE1 4.3Å; F544-F594 HydrophobicContact CE2-CE2 4.08Å; F544-F594 AromaticContact CE2-CG 3.74Å; F544-F594 HydrophobicContact CE2-CG 3.74Å; F544-F594 HydrophobicContact CE2-CZ 4.29Å; V588-F594 HydrophobicContact CG1-CE2 4.35Å; V588-F594 HydrophobicContact CG1-CZ 3.75Å; V588-F594 HydrophobicContact CG2-CE2 4.25Å; V588-F594 HydrophobicContact CG2-CZ 4.18Å; T592-F594 HydrophobicContact CG2-CE2 4.04Å; T592-F594 HydrophobicContact CG2-CZ 4.4Å
595V91.6Very high86.3Confident81 Ų8166.4 Ų66.449%0.49137%0.373SS..EExtended strand (participates in β ladder)trans-85.9132.2172.1179.70000108.9Y597V595-Y597 HydrophobicContact CB-CD2 4.43Å; V595-Y597 HydrophobicContact CB-CE2 3.89Å; V595-Y597 HydrophobicContact CG1-CD2 4.33Å; V595-Y597 HydrophobicContact CG1-CE1 4.38Å; V595-Y597 HydrophobicContact CG1-CE2 4.09Å; V595-Y597 WeakPolarHBondContact O-CD2 3.3Å
596L92.1Very high85.7Confident12 Ų1266.2 Ų66.26%0.06337%0.365CS..EExtended strand (participates in β ladder)trans-87.8111.3168.2179.161.7000109.3L488 D489 Y526 F544 K546 V574L488-L596 HydrophobicContact CB-CB 4.17Å; L488-L596 HydrophobicContact CD1-CB 4.36Å; L488-L596 HydrophobicContact CD1-CD1 4.09Å; D489-L596 PolarHBondContact O-N 3.48Å; Y526-L596 HydrophobicContact CD2-CD2 4.19Å; Y526-L596 HydrophobicContact CE2-CD2 4.1Å; F544-L596 HydrophobicContact CB-CD1 4.27Å; K546-L596 HydrophobicContact CB-CD1 4.48Å; V574-L596 HydrophobicContact CG1-CD1 3.89Å; V574-L596 HydrophobicContact CG2-CD1 4.39Å
597Y89.3Confident84.7Confident38 Ų3861.2 Ų61.215%0.14934%0.343CS..EExtended strand (participates in β ladder)trans-81150.3178.1-68.6-88.7000111.5R543 F544 W545 K546 V595 D599 S602 I603 S606R543-Y597 HydrophobicContact CB-CE2 4.45Å; F544-Y597 WeakPolarHBondContact O-CB 3.37Å; F544-Y597 WeakPolarHBondContact O-CD2 3.45Å; F544-Y597 PolarHBondContact O-N 3.38Å; W545-Y597 CarbonylContact C-O 3.6Å; W545-Y597 VanDerWaalsContact CA-O 3.27Å; W545-Y597 WeakPolarHBondContact CA-O 3.3Å; K546-Y597 PolarHBondContact N-O 2.77Å; V595-Y597 HydrophobicContact CB-CD2 4.43Å; V595-Y597 HydrophobicContact CB-CE2 3.89Å; V595-Y597 HydrophobicContact CG1-CD2 4.33Å; V595-Y597 HydrophobicContact CG1-CE1 4.38Å; V595-Y597 HydrophobicContact CG1-CE2 4.09Å; V595-Y597 WeakPolarHBondContact O-CD2 3.3Å; Y597-D599 VanDerWaalsContact C-N 3.33Å; Y597-S602 WeakPolarHBondContact CB-OG 3.46Å; Y597-I603 HydrophobicContact CD1-CG1 3.93Å; Y597-I603 HydrophobicContact CD2-CD1 4.27Å; Y597-I603 HydrophobicContact CD2-CG1 3.6Å; Y597-I603 HydrophobicContact CE1-CG1 4.48Å; Y597-I603 HydrophobicContact CE2-CG1 4.2Å; Y597-I603 HydrophobicContact CG-CD1 4.36Å; Y597-I603 HydrophobicContact CG-CG1 3.43Å; Y597-I603 VanDerWaalsContact CG-CG1 3.43Å; Y597-S606 WeakPolarHBondContact CE1-OG 3.41Å; Y597-S606 VanDerWaalsContact CZ-OG 3.23Å; Y597-S606 PolarHBondContact OH-OG 2.92Å
598D83.8Confident83.6Confident78 Ų7859.1 Ų59.142%0.41732%0.324SS..SBendtrans-70.3-33.5-177.9-79-16.5000111.2K492 S602K492-D598 IonicContact NZ-OD2 3.01Å; K492-D598 PolarHBondContact NZ-OD2 3.18Å; D598-S602 PolarHBondContact N-OG 2.85Å
599D80.7Confident82.4Confident75 Ų7563.6 Ų63.640%0.40135%0.351SS..SBendtrans-157.9173.2179.659.138000111Y597 K601 S602Y597-D599 VanDerWaalsContact C-N 3.33Å; D599-K601 PolarHBondContact O-N 2.9Å; D599-K601 WeakPolarHBondContact OD1-CA 3.41Å; D599-K601 WeakPolarHBondContact OD1-CB 3.46Å; D599-K601 PolarHBondContact OD1-N 3.22Å; D599-S602 PolarHBondContact N-OG 3.36Å; D599-S602 PolarHBondContact O-N 3.33Å; D599-S602 PolarHBondContact O-OG 3.28Å; D599-S602 WeakPolarHBondContact OD1-CB 3.25Å; D599-S602 PolarHBondContact OD1-N 2.95Å; D599-S602 PolarHBondContact OD1-OG 2.71Å
600Q79.8Confident81.5Confident85 Ų8565.3 Ų65.340%0.39735%0.351SS..Hα-helixtrans-64.1-28.2178-169178.1-1.300113.1I603 Q604Q600-I603 WeakPolarHBondContact O-CB 3.46Å; Q600-I603 PolarHBondContact O-N 2.91Å; Q600-Q604 PolarHBondContact O-N 2.84Å
601K76.5Confident81.2Confident126 Ų12664.4 Ų64.455%0.54834%0.339SS..Hα-helixtrans-69.3-40-179.2-176-179177.9-178.10111.8D599 I603 Q604 D605D599-K601 PolarHBondContact O-N 2.9Å; D599-K601 WeakPolarHBondContact OD1-CA 3.41Å; D599-K601 WeakPolarHBondContact OD1-CB 3.46Å; D599-K601 PolarHBondContact OD1-N 3.22Å; K601-I603 PolarHBondContact O-N 3.33Å; K601-Q604 WeakPolarHBondContact O-CB 3.07Å; K601-Q604 PolarHBondContact O-N 3.49Å; K601-D605 PolarHBondContact O-N 3.15Å; K601-D605 VanDerWaalsContact O-N 3.15Å
602S79.6Confident80.9Confident34 Ų3460.3 Ų60.324%0.23832%0.323CS..Hα-helixtrans-66.2-24.2177.266.60000112.6Y597 D598 D599 S606Y597-S602 WeakPolarHBondContact CB-OG 3.46Å; D598-S602 PolarHBondContact N-OG 2.85Å; D599-S602 PolarHBondContact N-OG 3.36Å; D599-S602 PolarHBondContact O-N 3.33Å; D599-S602 PolarHBondContact O-OG 3.28Å; D599-S602 WeakPolarHBondContact OD1-CB 3.25Å; D599-S602 PolarHBondContact OD1-N 2.95Å; D599-S602 PolarHBondContact OD1-OG 2.71Å; S602-S606 WeakPolarHBondContact O-CB 3.29Å; S602-S606 PolarHBondContact O-N 2.69Å; S602-S606 PolarHBondContact O-OG 3.21Å
603I80.6Confident80.7Confident5 Ų559.8 Ų59.83%0.02632%0.318CS..Hα-helixtrans-65.2-51.7168.3-63.9170.3000109.6R543 W545 P579 Y597 Q600 K601 D605 S606 L607R543-I603 HydrophobicContact CB-CD1 3.75Å; R543-I603 HydrophobicContact CB-CG1 4.18Å; R543-I603 HydrophobicContact CB-CG2 3.89Å; R543-I603 HydrophobicContact CG-CG2 3.88Å; W545-I603 HydrophobicContact CB-CD1 3.99Å; W545-I603 HydrophobicContact CD2-CD1 4.21Å; W545-I603 HydrophobicContact CE3-CD1 3.54Å; W545-I603 HydrophobicContact CG-CD1 4.43Å; W545-I603 HydrophobicContact CZ3-CD1 4.36Å; P579-I603 HydrophobicContact CB-CG2 4.44Å; P579-I603 HydrophobicContact CG-CG2 3.83Å; Y597-I603 HydrophobicContact CD1-CG1 3.93Å; Y597-I603 HydrophobicContact CD2-CD1 4.27Å; Y597-I603 HydrophobicContact CD2-CG1 3.6Å; Y597-I603 HydrophobicContact CE1-CG1 4.48Å; Y597-I603 HydrophobicContact CE2-CG1 4.2Å; Y597-I603 HydrophobicContact CG-CD1 4.36Å; Y597-I603 HydrophobicContact CG-CG1 3.43Å; Y597-I603 VanDerWaalsContact CG-CG1 3.43Å; Q600-I603 WeakPolarHBondContact O-CB 3.46Å; Q600-I603 PolarHBondContact O-N 2.91Å; K601-I603 PolarHBondContact O-N 3.33Å; I603-D605 VanDerWaalsContact C-N 3.27Å; I603-D605 PolarHBondContact O-N 2.74Å; I603-S606 CarbonylContact O-C 3.56Å; I603-S606 WeakPolarHBondContact O-CA 3.3Å; I603-S606 PolarHBondContact O-N 3.01Å; I603-S606 PolarHBondContact O-OG 3.38Å; I603-L607 HydrophobicContact CG2-CD2 4.44Å; I603-L607 HydrophobicContact CG2-CG 4.36Å; I603-L607 WeakPolarHBondContact O-CG 3.09Å; I603-L607 PolarHBondContact O-N 2.97Å
604Q72.4Confident80.5Confident100 Ų10057 Ų5747%0.46730%0.295SS..Hα-helixtrans-59.1-38.1-177.7-65.2-179.3-900112.7Q600 K601 S606 Y608Q600-Q604 PolarHBondContact O-N 2.84Å; K601-Q604 WeakPolarHBondContact O-CB 3.07Å; K601-Q604 PolarHBondContact O-N 3.49Å; Q604-S606 VanDerWaalsContact C-N 3.26Å; Q604-S606 PolarHBondContact O-N 2.94Å; Q604-Y608 WeakPolarHBondContact O-CD2 3.21Å
605D71Confident80.4Confident59 Ų5956.2 Ų56.232%0.31629%0.292SS..Hα-helixtrans-71.7-20.8176-69-25.4000112.6K601 I603 R637K601-D605 PolarHBondContact O-N 3.15Å; K601-D605 VanDerWaalsContact O-N 3.15Å; I603-D605 VanDerWaalsContact C-N 3.27Å; I603-D605 PolarHBondContact O-N 2.74Å; D605-R637 IonicContact OD1-CZ 2.66Å; D605-R637 IonicContact OD1-NH1 2.75Å; D605-R637 IonicContact OD1-NH2 3.23Å; D605-R637 PolarHBondContact OD1-NH2 2.82Å
606S73.2Confident80.3Confident35 Ų3552.4 Ų52.425%0.24527%0.268CS..Hα-helixtrans-93.7-16.417878.50000114.9Y597 S602 I603 Q604 Y608Y597-S606 WeakPolarHBondContact CE1-OG 3.41Å; Y597-S606 VanDerWaalsContact CZ-OG 3.23Å; Y597-S606 PolarHBondContact OH-OG 2.92Å; S602-S606 WeakPolarHBondContact O-CB 3.29Å; S602-S606 PolarHBondContact O-N 2.69Å; S602-S606 PolarHBondContact O-OG 3.21Å; I603-S606 CarbonylContact O-C 3.56Å; I603-S606 WeakPolarHBondContact O-CA 3.3Å; I603-S606 PolarHBondContact O-N 3.01Å; I603-S606 PolarHBondContact O-OG 3.38Å; Q604-S606 VanDerWaalsContact C-N 3.26Å; Q604-S606 PolarHBondContact O-N 2.94Å; S606-Y608 PolarHBondContact O-N 3.43Å
607L69.1Low80.2Confident40 Ų4053.2 Ų53.221%0.20927%0.272CS..Hα-helixtrans-59.2-33.3178.6-74.9177.8000111.3P579 L582 I603 T609P579-L607 HydrophobicContact CB-CD1 3.89Å; P579-L607 HydrophobicContact CB-CD2 4.29Å; P579-L607 HydrophobicContact CG-CD2 4.17Å; L582-L607 HydrophobicContact CD1-CD2 3.71Å; I603-L607 HydrophobicContact CG2-CD2 4.44Å; I603-L607 HydrophobicContact CG2-CG 4.36Å; I603-L607 WeakPolarHBondContact O-CG 3.09Å; I603-L607 PolarHBondContact O-N 2.97Å; L607-T609 PolarHBondContact O-N 3.43Å
608Y69.3Low80.1Confident47 Ų4751.5 Ų51.518%0.18427%0.265CS..  trans-9886.8-176.4-50.7-65.9000110.5Q604 S606 E670 R671Q604-Y608 WeakPolarHBondContact O-CD2 3.21Å; S606-Y608 PolarHBondContact O-N 3.43Å; Y608-E670 WeakPolarHBondContact CA-OE2 3.44Å; Y608-E670 HydrophobicContact CD1-CB 3.52Å; Y608-E670 HydrophobicContact CE1-CB 4.07Å; Y608-R671 HydrophobicContact CD1-CG 4.23Å; Y608-R671 HydrophobicContact CD2-CG 4.1Å; Y608-R671 HydrophobicContact CE1-CG 4.03Å; Y608-R671 HydrophobicContact CE2-CG 3.94Å; Y608-R671 HydrophobicContact CG-CG 4.22Å
609T66.9Low80.3Confident106 Ų10654.5 Ų54.565%0.6527%0.274SS*.  trans-81.3-34.1-178.9-45.90000111L607 H611L607-T609 PolarHBondContact O-N 3.43Å; T609-H611 PolarHBondContact O-N 2.69Å; T609-H611 PolarHBondContact O-ND1 3.28Å
610D74.1Confident80.5Confident100 Ų10052.6 Ų52.654%0.53526%0.264SS..  trans-73.3110175.4-86.6-0.9000110.2P669 E670D610-P669 WeakPolarHBondContact O-CD 3.4Å; D610-E670 HydrophobicContact CB-CG 4.37Å
611H81.7Confident80.8Confident74 Ų7452.4 Ų52.434%0.34327%0.272SS..  trans-133148.5177.359.5-79.9000111.2T609 D613 R666 I667 E668T609-H611 PolarHBondContact O-N 2.69Å; T609-H611 PolarHBondContact O-ND1 3.28Å; H611-D613 IonicContact CD2-OD1 3.83Å; H611-D613 PolarHBondContact CD2-OD1 3.47Å; H611-D613 IonicContact NE2-OD1 3.32Å; H611-R666 HydrophobicContact CB-CB 4.06Å; H611-R666 HydrophobicContact CB-CG 4.05Å; H611-R666 PolarHBondContact CD2-NE 3.48Å; H611-I667 CarbonylContact C-O 3.55Å; H611-I667 VanDerWaalsContact CA-O 3.26Å; H611-I667 WeakPolarHBondContact CA-O 3.36Å; H611-E668 HydrophobicContact CB-CG 4.47Å
612I86.2Confident81.4Confident48 Ų4847.4 Ų47.425%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-113.3116.4171.9-56.9155.5000106.9Y614 I667 P669 V683I612-Y614 HydrophobicContact CB-CE2 4.14Å; I612-Y614 HydrophobicContact CG2-CD2 4.1Å; I612-Y614 HydrophobicContact CG2-CE2 3.47Å; I612-Y614 VanDerWaalsContact CG2-CE2 3.47Å; I612-I667 PolarHBondContact N-O 3.08Å; I612-I667 PolarHBondContact O-N 3.15Å; I612-P669 HydrophobicContact CD1-CG 3.65Å; I612-P669 HydrophobicContact CG1-CG 4.31Å; I612-V683 HydrophobicContact CD1-CG2 3.45Å; I612-V683 VanDerWaalsContact CD1-CG2 3.45Å; I612-V683 HydrophobicContact CG1-CG2 4.33Å
613D89.3Confident81.7Confident36 Ų3656.2 Ų56.219%0.19328%0.28CS..EExtended strand (participates in β ladder)trans-79.6129.1-179.7-77.5-23.7000111.1H611 L664 I665 R666 Y730H611-D613 IonicContact CD2-OD1 3.83Å; H611-D613 PolarHBondContact CD2-OD1 3.47Å; H611-D613 IonicContact NE2-OD1 3.32Å; D613-L664 HydrophobicContact CB-CD1 4.4Å; D613-I665 CarbonylContact C-O 3.56Å; D613-I665 VanDerWaalsContact CA-O 3.32Å; D613-I665 WeakPolarHBondContact CA-O 3.31Å; D613-R666 WeakPolarHBondContact OD1-CG 3.43Å; D613-R666 IonicContact OD1-NE 3Å; D613-R666 PolarHBondContact OD1-NE 2.88Å; D613-Y730 HydrophobicContact CB-CD1 3.56Å; D613-Y730 HydrophobicContact CB-CE1 3.48Å; D613-Y730 VanDerWaalsContact CB-CE1 3.48Å
614Y90.4Very high82Confident2 Ų257.2 Ų57.21%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-122.7156170.8-73.5-93.1000110.7I612 I665 I667 L686 Q731 I733I612-Y614 HydrophobicContact CB-CE2 4.14Å; I612-Y614 HydrophobicContact CG2-CD2 4.1Å; I612-Y614 HydrophobicContact CG2-CE2 3.47Å; I612-Y614 VanDerWaalsContact CG2-CE2 3.47Å; Y614-I665 PolarHBondContact N-O 3.13Å; Y614-I665 PolarHBondContact O-N 2.82Å; Y614-I667 HydrophobicContact CD2-CB 4.46Å; Y614-I667 HydrophobicContact CD2-CG1 3.77Å; Y614-I667 HydrophobicContact CE2-CB 4.46Å; Y614-I667 HydrophobicContact CE2-CG1 4.04Å; Y614-L686 HydrophobicContact CE2-CD1 4.43Å; Y614-Q731 WeakPolarHBondContact CA-O 3.42Å; Y614-Q731 HydrophobicContact CD1-CB 3.59Å; Y614-Q731 WeakPolarHBondContact CD1-O 3.36Å; Y614-Q731 HydrophobicContact CE1-CB 3.59Å; Y614-Q731 HydrophobicContact CE1-CG 4.43Å; Y614-I733 HydrophobicContact CD1-CD1 4.01Å; Y614-I733 HydrophobicContact CD1-CG1 3.77Å; Y614-I733 HydrophobicContact CG-CD1 3.93Å; Y614-I733 HydrophobicContact CG-CG1 4.11Å
615L90.3Very high82.8Confident0 Ų053 Ų530%027%0.272CS..EExtended strand (participates in β ladder)trans-113.2139.8178.6-16967000111.3F617 F646 P662 L664 F727 Q731 I732 I733L615-F617 HydrophobicContact CD2-CE1 4.47Å; L615-F617 HydrophobicContact CD2-CE2 3.72Å; L615-F617 HydrophobicContact CD2-CZ 3.59Å; L615-F617 HydrophobicContact CG-CE2 4.18Å; L615-F617 HydrophobicContact CG-CZ 4.29Å; L615-F646 HydrophobicContact CD1-CB 4.3Å; L615-F646 HydrophobicContact CD1-CD1 3.62Å; L615-F646 HydrophobicContact CD1-CE1 4.41Å; L615-F646 HydrophobicContact CD1-CG 4.3Å; L615-P662 HydrophobicContact CD1-CB 4.23Å; L615-L664 HydrophobicContact CD1-CD1 4.26Å; L615-F727 HydrophobicContact CD2-CB 4.1Å; L615-F727 HydrophobicContact CD2-CD1 3.75Å; L615-F727 HydrophobicContact CD2-CG 4.31Å; L615-Q731 PolarHBondContact N-O 2.94Å; L615-I732 HydrophobicContact CB-CG1 4.4Å; L615-I732 CarbonylContact O-C 3.59Å; L615-I732 VanDerWaalsContact O-CA 3.24Å; L615-I732 WeakPolarHBondContact O-CA 3.23Å; L615-I733 PolarHBondContact O-N 2.78Å
616M90.3Very high83.7Confident0 Ų056.6 Ų56.60%029%0.287CS..EExtended strand (participates in β ladder)trans-129.4142.4177.8-60.6179.9109.800110.5F618 P662 V663 I665 V710 L712 I733 T735M616-F618 HydrophobicContact CB-CD2 4.28Å; M616-F618 HydrophobicContact CB-CE2 3.67Å; M616-F618 HydrophobicContact CB-CZ 4.18Å; M616-F618 HydrophobicContact CE-CZ 4.24Å; M616-F618 HydrophobicContact SD-CE2 4.03Å; M616-F618 HydrophobicContact SD-CZ 3.88Å; M616-P662 CarbonylContact O-C 3.43Å; M616-P662 VanDerWaalsContact O-CA 3.32Å; M616-P662 WeakPolarHBondContact O-CA 3.29Å; M616-V663 PolarHBondContact N-O 2.88Å; M616-V663 PolarHBondContact O-N 3.35Å; M616-I665 HydrophobicContact CG-CD1 4.28Å; M616-I665 HydrophobicContact CG-CG2 4.49Å; M616-I665 HydrophobicContact SD-CD1 3.8Å; M616-I665 HydrophobicContact SD-CG1 4.47Å; M616-I665 HydrophobicContact SD-CG2 3.83Å; M616-V710 HydrophobicContact CE-CG1 3.78Å; M616-V710 HydrophobicContact SD-CG1 3.62Å; M616-L712 HydrophobicContact CE-CD2 3.82Å; M616-I733 HydrophobicContact CE-CB 3.97Å; M616-I733 HydrophobicContact CE-CG2 3.63Å; M616-I733 HydrophobicContact CG-CB 4.08Å; M616-T735 HydrophobicContact CB-CG2 3.88Å; M616-T735 HydrophobicContact CE-CG2 4.33Å
617F89.2Confident84.4Confident30 Ų3059.1 Ų59.113%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-118.597.7-179.5-73.5-76.6000111.3L615 R660 P662 F727 I732 T735L615-F617 HydrophobicContact CD2-CE1 4.47Å; L615-F617 HydrophobicContact CD2-CE2 3.72Å; L615-F617 HydrophobicContact CD2-CZ 3.59Å; L615-F617 HydrophobicContact CG-CE2 4.18Å; L615-F617 HydrophobicContact CG-CZ 4.29Å; F617-R660 HydrophobicContact CB-CB 4.04Å; F617-R660 HydrophobicContact CD1-CB 4.42Å; F617-P662 HydrophobicContact CD1-CB 4.02Å; F617-P662 HydrophobicContact CE1-CB 3.74Å; F617-F727 HydrophobicContact CZ-CD1 4.31Å; F617-F727 HydrophobicContact CZ-CG 4.4Å; F617-I732 HydrophobicContact CD2-CD1 4.38Å; F617-I732 HydrophobicContact CD2-CG2 4.15Å; F617-I732 HydrophobicContact CE2-CD1 3.78Å; F617-I732 HydrophobicContact CE2-CG1 4.08Å; F617-T735 PolarHBondContact O-OG1 3.15Å
618F89Confident85.2Confident1 Ų159 Ų590%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-86.9133.5-178.6-67.1-81.3000112M616 V622 R660 I661 V663 L698 V710 T735M616-F618 HydrophobicContact CB-CD2 4.28Å; M616-F618 HydrophobicContact CB-CE2 3.67Å; M616-F618 HydrophobicContact CB-CZ 4.18Å; M616-F618 HydrophobicContact CE-CZ 4.24Å; M616-F618 HydrophobicContact SD-CE2 4.03Å; M616-F618 HydrophobicContact SD-CZ 3.88Å; F618-V622 HydrophobicContact CB-CG1 4.1Å; F618-V622 HydrophobicContact CD2-CG1 4.45Å; F618-R660 CarbonylContact O-C 3.58Å; F618-R660 WeakPolarHBondContact O-CA 3.36Å; F618-I661 PolarHBondContact N-O 2.85Å; F618-I661 PolarHBondContact O-N 3.37Å; F618-V663 HydrophobicContact CD2-CB 4.14Å; F618-V663 HydrophobicContact CD2-CG2 3.68Å; F618-V663 HydrophobicContact CE2-CB 4.02Å; F618-V663 HydrophobicContact CE2-CG2 3.98Å; F618-L698 HydrophobicContact CB-CD1 4.38Å; F618-L698 HydrophobicContact CD1-CD1 3.89Å; F618-L698 HydrophobicContact CD1-CD2 4.25Å; F618-L698 HydrophobicContact CD1-CG 3.66Å; F618-L698 HydrophobicContact CD2-CD1 4.48Å; F618-L698 HydrophobicContact CD2-CD2 4.45Å; F618-L698 HydrophobicContact CE1-CD1 4.3Å; F618-L698 HydrophobicContact CE1-CD2 3.83Å; F618-L698 HydrophobicContact CE1-CG 3.57Å; F618-L698 HydrophobicContact CE2-CD2 4.03Å; F618-L698 HydrophobicContact CE2-CG 4.47Å; F618-L698 HydrophobicContact CG-CD1 3.99Å; F618-L698 HydrophobicContact CG-CG 4.17Å; F618-L698 HydrophobicContact CZ-CD2 3.7Å; F618-L698 HydrophobicContact CZ-CG 4Å; F618-V710 HydrophobicContact CZ-CG1 4.42Å; F618-V710 HydrophobicContact CZ-CG2 4.45Å; F618-T735 HydrophobicContact CD1-CG2 3.7Å; F618-T735 HydrophobicContact CD2-CG2 4.3Å; F618-T735 HydrophobicContact CE1-CG2 3.48Å; F618-T735 VanDerWaalsContact CE1-CG2 3.48Å; F618-T735 HydrophobicContact CE2-CG2 4.13Å; F618-T735 HydrophobicContact CG-CG2 4.11Å; F618-T735 HydrophobicContact CZ-CG2 3.72Å
619K86.5Confident86.1Confident142 Ų14257.3 Ų57.362%0.61731%0.307SS*.SBendtrans-87-19.1166.953.3169.8166.4142.80113.1R660 S737K619-R660 HydrophobicContact CB-CG 4.32Å; K619-S737 WeakPolarHBondContact CE-OG 3.32Å; K619-S737 PolarHBondContact NZ-OG 2.93Å
620D85Confident87.3Confident34 Ų3454 Ų5418%0.18229%0.288CS..SBendtrans-79.9163.9177.7-63.7-1.8000110.2V622 S737 G738D620-V622 PolarHBondContact O-N 2.91Å; D620-S737 VanDerWaalsContact OD1-CB 3.3Å; D620-S737 WeakPolarHBondContact OD1-CB 3.48Å; D620-S737 PolarHBondContact OD1-OG 3.32Å; D620-S737 WeakPolarHBondContact OD2-CA 3.19Å; D620-S737 WeakPolarHBondContact OD2-CB 3.22Å; D620-G738 PolarHBondContact OD2-N 2.89Å
621S86.1Confident88.1Confident82 Ų8249.3 Ų49.357%0.57326%0.262SS*.  trans-62.8122.6173.5-177.40000110.8R623S621-R623 PolarHBondContact O-N 2.76Å; S621-R623 VanDerWaalsContact OG-CB 3.27Å; S621-R623 WeakPolarHBondContact OG-CB 3.37Å; S621-R623 PolarHBondContact OG-N 3.13Å
622V89.4Confident88.6Confident21 Ų2147.8 Ų47.813%0.12726%0.255CS..  trans-82.78.2171.2-580000112.5F618 D620 G624 L625 V644 I661 V663 L698F618-V622 HydrophobicContact CB-CG1 4.1Å; F618-V622 HydrophobicContact CD2-CG1 4.45Å; D620-V622 PolarHBondContact O-N 2.91Å; V622-G624 PolarHBondContact O-N 2.72Å; V622-G624 VanDerWaalsContact O-N 3.16Å; V622-L625 HydrophobicContact CB-CB 4.41Å; V622-L625 VanDerWaalsContact O-CB 3.26Å; V622-L625 WeakPolarHBondContact O-CB 3.28Å; V622-L625 PolarHBondContact O-N 2.99Å; V622-V644 HydrophobicContact CB-CG2 4.17Å; V622-V644 HydrophobicContact CG2-CG2 3.98Å; V622-I661 HydrophobicContact CG1-CB 3.98Å; V622-I661 HydrophobicContact CG1-CD1 4.18Å; V622-I661 HydrophobicContact CG1-CG2 3.9Å; V622-I661 HydrophobicContact CG2-CD1 3.8Å; V622-I661 HydrophobicContact CG2-CG2 3.86Å; V622-V663 HydrophobicContact CG1-CG2 4.15Å; V622-L698 HydrophobicContact CG1-CD1 4.12Å
623R86.7Confident88.7Confident218 Ų21848 Ų4882%0.82325%0.254SS*.THydrogen-bonded Turntrans-64.2118.2-178.2-172.1-178.975.9163.53.6109.9S621 L708S621-R623 PolarHBondContact O-N 2.76Å; S621-R623 VanDerWaalsContact OG-CB 3.27Å; S621-R623 WeakPolarHBondContact OG-CB 3.37Å; S621-R623 PolarHBondContact OG-N 3.13Å; R623-L708 VanDerWaalsContact O-CD1 3.27Å; R623-L708 WeakPolarHBondContact O-CD1 3.03Å
624G85.9Confident88.5Confident26 Ų2654 Ų5427%0.26827%0.274SS..THydrogen-bonded Turntrans105.3-11.1-174.300000113.4V622 A707 L708V622-G624 PolarHBondContact O-N 2.72Å; V622-G624 VanDerWaalsContact O-N 3.16Å; G624-A707 WeakPolarHBondContact O-CA 3.17Å; G624-L708 PolarHBondContact O-N 3.04Å
625L90.2Very high88.3Confident12 Ų1256.3 Ų56.36%0.06330%0.299CS..  trans-83.1122.5169.7-163.568.9000109.5V622 A629 V641 V644 V663 L698 L708 V710V622-L625 HydrophobicContact CB-CB 4.41Å; V622-L625 VanDerWaalsContact O-CB 3.26Å; V622-L625 WeakPolarHBondContact O-CB 3.28Å; V622-L625 PolarHBondContact O-N 2.99Å; L625-A629 HydrophobicContact CD1-CB 3.86Å; L625-V641 HydrophobicContact CD1-CG2 4.15Å; L625-V641 HydrophobicContact CD2-CG1 4.49Å; L625-V641 HydrophobicContact CD2-CG2 4.45Å; L625-V641 HydrophobicContact CG-CG2 4.41Å; L625-V644 HydrophobicContact CD2-CG2 4.29Å; L625-V644 WeakPolarHBondContact O-CG1 3.35Å; L625-V663 HydrophobicContact CD2-CG1 3.84Å; L625-V663 HydrophobicContact CD2-CG2 4.02Å; L625-L698 HydrophobicContact CD1-CD2 4.14Å; L625-L698 HydrophobicContact CD2-CD2 3.88Å; L625-L708 HydrophobicContact CB-CB 4.23Å; L625-L708 HydrophobicContact CD1-CB 4.07Å; L625-L708 WeakPolarHBondContact CD1-O 3.36Å; L625-V710 HydrophobicContact CD1-CG2 4.18Å; L625-V710 HydrophobicContact CD2-CG2 4.39Å
626Q88.6Confident88Confident135 Ų13560.6 Ų60.663%0.63132%0.321SS*.  trans-118.6152.2-179.9-62.9-177.45.500110.5G628 A629Q626-G628 PolarHBondContact O-N 3.31Å; Q626-A629 WeakPolarHBondContact O-CB 3.34Å; Q626-A629 PolarHBondContact O-N 3.05Å
627P88.1Confident87.9Confident87 Ų8763.7 Ų63.757%0.56533%0.333SS*.THydrogen-bonded Turntrans-52.6132.1165.4-23.735000110.4V641 V644P627-V641 CarbonylContact C-O 3.48Å; P627-V641 WeakPolarHBondContact CA-O 3.48Å; P627-V644 HydrophobicContact CG-CG1 4.2Å
628G85.7Confident87.8Confident37 Ų3763.3 Ų63.338%0.38133%0.332SS..THydrogen-bonded Turntrans93.4-9.4-172.200000114.8Q626 V641Q626-G628 PolarHBondContact O-N 3.31Å; G628-V641 PolarHBondContact N-O 2.85Å
629A89.2Confident87.7Confident13 Ų1363.3 Ų63.311%0.10733%0.332CS..  trans-57.4139174.300000110.7L625 Q626 T640 V641L625-A629 HydrophobicContact CD1-CB 3.86Å; Q626-A629 WeakPolarHBondContact O-CB 3.34Å; Q626-A629 PolarHBondContact O-N 3.05Å; A629-T640 CarbonylContact O-C 3.52Å; A629-T640 WeakPolarHBondContact O-CA 3.33Å; A629-V641 HydrophobicContact CB-CB 4.28Å; A629-V641 HydrophobicContact CB-CG2 4.04Å; A629-V641 PolarHBondContact O-N 3.05Å
630P90.5Very high87.9Confident37 Ų3757.2 Ų57.224%0.2431%0.307CS..EExtended strand (participates in β ladder)trans-69.6146.4-175.228.2-32.7000111.1E632 R637 Y709 V710P630-E632 HydrophobicContact CB-CG 4.05Å; P630-R637 HydrophobicContact CB-CG 4Å; P630-Y709 WeakPolarHBondContact O-CB 3.47Å; P630-V710 PolarHBondContact O-N 2.87Å; P630-V710 VanDerWaalsContact O-N 3.12Å
631V92Very high88.3Confident0 Ų055.7 Ų55.70%030%0.299CS..EExtended strand (participates in β ladder)trans-106.1114.5166.8-178.40000106.5R637 L638 G639 V641 I665 I667 V710 L712V631-R637 CarbonylContact O-C 3.55Å; V631-R637 WeakPolarHBondContact O-CA 3.34Å; V631-L638 PolarHBondContact O-N 3.19Å; V631-G639 PolarHBondContact N-O 3.22Å; V631-G639 PolarHBondContact O-N 3.41Å; V631-V641 HydrophobicContact CG2-CG2 4.23Å; V631-I665 HydrophobicContact CG1-CD1 4.3Å; V631-I665 HydrophobicContact CG2-CB 3.99Å; V631-I665 HydrophobicContact CG2-CG2 3.99Å; V631-I667 HydrophobicContact CG1-CD1 4.13Å; V631-V710 CarbonylContact C-O 3.54Å; V631-V710 WeakPolarHBondContact CA-O 3.45Å; V631-V710 HydrophobicContact CB-CB 4.47Å; V631-V710 HydrophobicContact CG1-CB 4.3Å; V631-V710 HydrophobicContact CG1-CG1 4.15Å; V631-V710 HydrophobicContact CG2-CB 4.12Å; V631-L712 HydrophobicContact CG1-CD1 3.55Å; V631-L712 HydrophobicContact CG1-CG 4Å
632E91.3Very high88.5Confident43 Ų4352.9 Ų52.920%0.20128%0.279CS..EExtended strand (participates in β ladder)trans-118.2141.4-171-60.3-174.2175.400111.2P630 I636 R637 Y709 V710 D711 L712P630-E632 HydrophobicContact CB-CG 4.05Å; E632-I636 CarbonylContact C-O 3.49Å; E632-I636 VanDerWaalsContact CA-O 3.24Å; E632-I636 WeakPolarHBondContact CA-O 3.44Å; E632-R637 HydrophobicContact CG-CB 4.37Å; E632-Y709 HydrophobicContact CB-CD2 4.22Å; E632-Y709 HydrophobicContact CB-CE2 4.16Å; E632-Y709 HydrophobicContact CG-CD2 4.16Å; E632-Y709 HydrophobicContact CG-CE2 4.43Å; E632-V710 PolarHBondContact N-O 2.75Å; E632-D711 CarbonylContact O-C 3.44Å; E632-L712 PolarHBondContact O-N 2.78Å
633F88.9Confident88.5Confident51 Ų5157 Ų5722%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-110.9110.8165.8175.3-96.1000108.4G635 I636 L638 L694 L712 F714F633-G635 PolarHBondContact O-N 2.91Å; F633-I636 PolarHBondContact N-O 3.41Å; F633-I636 WeakPolarHBondContact O-CB 3.32Å; F633-I636 PolarHBondContact O-N 3.36Å; F633-L638 HydrophobicContact CB-CD1 3.35Å; F633-L638 HydrophobicContact CB-CD2 4.25Å; F633-L638 HydrophobicContact CB-CG 3.76Å; F633-L638 HydrophobicContact CG-CD1 4.27Å; F633-L694 HydrophobicContact CD2-CD1 3.87Å; F633-L694 HydrophobicContact CE2-CD1 3.76Å; F633-L712 WeakPolarHBondContact CA-O 2.94Å; F633-L712 HydrophobicContact CB-CB 4.43Å; F633-L712 HydrophobicContact CD2-CB 4.32Å; F633-L712 WeakPolarHBondContact CD2-O 3.26Å; F633-F714 AromaticContact CE2-CD2 3.97Å; F633-F714 HydrophobicContact CE2-CD2 3.97Å; F633-F714 AromaticContact CE2-CE2 3.64Å; F633-F714 HydrophobicContact CE2-CE2 3.64Å; F633-F714 HydrophobicContact CZ-CD2 4.17Å; F633-F714 AromaticContact CZ-CE2 3.76Å; F633-F714 HydrophobicContact CZ-CE2 3.76Å
634R85.7Confident88.7Confident162 Ų16248.1 Ų48.161%0.61127%0.265SS*.THydrogen-bonded Turntrans51.841.1-178.4-60.2-176.6169.4-171.4-4.2113.5I636 D713R634-I636 VanDerWaalsContact C-N 3.35Å; R634-D713 IonicContact CZ-OD1 3.49Å; R634-D713 IonicContact NE-OD1 3.58Å; R634-D713 PolarHBondContact NE-OD1 3.05Å; R634-D713 IonicContact NH2-OD1 3.9Å
635G85.2Confident88.7Confident52 Ų5249.3 Ų49.354%0.53627%0.268SS..THydrogen-bonded Turntrans83.21.3-179.200000115.4F633F633-G635 PolarHBondContact O-N 2.91Å
636I85.6Confident88.6Confident90 Ų9049.4 Ų49.446%0.46227%0.268SS..EExtended strand (participates in β ladder)trans-99.5119.2174.8-56.7175.8000108.8E632 F633 R634 L638E632-I636 CarbonylContact C-O 3.49Å; E632-I636 VanDerWaalsContact CA-O 3.24Å; E632-I636 WeakPolarHBondContact CA-O 3.44Å; F633-I636 PolarHBondContact N-O 3.41Å; F633-I636 WeakPolarHBondContact O-CB 3.32Å; F633-I636 PolarHBondContact O-N 3.36Å; R634-I636 VanDerWaalsContact C-N 3.35Å; I636-L638 HydrophobicContact CG2-CD2 4.44Å; I636-L638 PolarHBondContact O-N 3.32Å; I636-L638 VanDerWaalsContact O-N 3.15Å
637R86.7Confident88.2Confident65 Ų6550.3 Ų50.325%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-68.3110.7179-173.6171.1174.2-167-9.4111D605 P630 V631 E632 G639 R671D605-R637 IonicContact OD1-CZ 2.66Å; D605-R637 IonicContact OD1-NH1 2.75Å; D605-R637 IonicContact OD1-NH2 3.23Å; D605-R637 PolarHBondContact OD1-NH2 2.82Å; P630-R637 HydrophobicContact CB-CG 4Å; V631-R637 CarbonylContact O-C 3.55Å; V631-R637 WeakPolarHBondContact O-CA 3.34Å; E632-R637 HydrophobicContact CG-CB 4.37Å; R637-G639 WeakPolarHBondContact CG-O 3.35Å; R637-G639 PolarHBondContact NE-O 3.07Å; R637-R671 VanDerWaalsContact O-CD 3.27Å; R637-R671 WeakPolarHBondContact O-CD 3.06Å
638L87Confident87.5Confident22 Ų2246.8 Ų46.812%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-91.4-16.9174.9-56.3-173.4000112.7V631 F633 I636 I667 E668 L672 L712V631-L638 PolarHBondContact O-N 3.19Å; F633-L638 HydrophobicContact CB-CD1 3.35Å; F633-L638 HydrophobicContact CB-CD2 4.25Å; F633-L638 HydrophobicContact CB-CG 3.76Å; F633-L638 HydrophobicContact CG-CD1 4.27Å; I636-L638 HydrophobicContact CG2-CD2 4.44Å; I636-L638 PolarHBondContact O-N 3.32Å; I636-L638 VanDerWaalsContact O-N 3.15Å; L638-I667 HydrophobicContact CB-CD1 4.34Å; L638-E668 PolarHBondContact O-N 3.09Å; L638-L672 HydrophobicContact CD2-CD1 4.03Å; L638-L672 HydrophobicContact CD2-CD2 3.93Å; L638-L672 HydrophobicContact CD2-CG 4.18Å; L638-L712 HydrophobicContact CD1-CD1 4.28Å
639G88.4Confident86.7Confident0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans180-163.3-170.100000115.1V631 R637 R666V631-G639 PolarHBondContact N-O 3.22Å; V631-G639 PolarHBondContact O-N 3.41Å; R637-G639 WeakPolarHBondContact CG-O 3.35Å; R637-G639 PolarHBondContact NE-O 3.07Å; G639-R666 CarbonylContact C-O 3.53Å; G639-R666 WeakPolarHBondContact CA-O 3.44Å
640T90.3Very high85.6Confident14 Ų1455.4 Ų55.49%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-139.5150-176.250.70000112.9A629 S642 I665 R666 E668A629-T640 CarbonylContact O-C 3.52Å; A629-T640 WeakPolarHBondContact O-CA 3.33Å; T640-S642 PolarHBondContact O-N 3.38Å; T640-I665 CarbonylContact O-C 3.53Å; T640-I665 WeakPolarHBondContact O-CA 3.41Å; T640-R666 PolarHBondContact N-O 3.14Å; T640-R666 PolarHBondContact O-N 3.45Å; T640-E668 WeakPolarHBondContact CG2-OE1 3.49Å; T640-E668 PolarHBondContact OG1-OE1 3.32Å
641V92.3Very high84.3Confident2 Ų253.9 Ų53.91%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-74.8120.1168.7177.20000108.8L625 P627 G628 A629 V631 V644 V663 I665 V710L625-V641 HydrophobicContact CD1-CG2 4.15Å; L625-V641 HydrophobicContact CD2-CG1 4.49Å; L625-V641 HydrophobicContact CD2-CG2 4.45Å; L625-V641 HydrophobicContact CG-CG2 4.41Å; P627-V641 CarbonylContact C-O 3.48Å; P627-V641 WeakPolarHBondContact CA-O 3.48Å; G628-V641 PolarHBondContact N-O 2.85Å; A629-V641 HydrophobicContact CB-CB 4.28Å; A629-V641 HydrophobicContact CB-CG2 4.04Å; A629-V641 PolarHBondContact O-N 3.05Å; V631-V641 HydrophobicContact CG2-CG2 4.23Å; V641-V644 HydrophobicContact CG1-CB 4.44Å; V641-V644 HydrophobicContact CG1-CG1 4.36Å; V641-V663 HydrophobicContact CG1-CG1 3.68Å; V641-V663 HydrophobicContact CG2-CG1 4.48Å; V641-I665 HydrophobicContact CG2-CG2 4.28Å; V641-V710 HydrophobicContact CG2-CG2 3.7Å
642S90.2Very high82.7Confident23 Ų2364.3 Ų64.316%0.16132%0.32CS..EExtended strand (participates in β ladder)trans-85.4-47.7-179.91790000112.4T640 L664 R666T640-S642 PolarHBondContact O-N 3.38Å; S642-L664 PolarHBondContact N-O 3.48Å; S642-R666 PolarHBondContact OG-NE 3.28Å
643K90.5Very high80.8Confident108 Ų10870.2 Ų70.247%0.4735%0.348SS..EExtended strand (participates in β ladder)trans-143135.9-176.4-66.4179.4180173.60111.6F646 L664K643-F646 HydrophobicContact CB-CB 4.39Å; K643-F646 HydrophobicContact CB-CD2 4.42Å; K643-F646 HydrophobicContact CD-CD2 3.88Å; K643-F646 HydrophobicContact CD-CE2 4.38Å; K643-L664 HydrophobicContact CB-CB 4.08Å; K643-L664 HydrophobicContact CD-CD2 4.39Å; K643-L664 PolarHBondContact N-O 2.76Å; K643-L664 PolarHBondContact O-N 3.31Å
644V89.8Confident79.2Confident31 Ų3170.7 Ų70.719%0.18836%0.355CS..SBendtrans-146.8123.7174.854.20000110.6V622 L625 P627 V641 V663V622-V644 HydrophobicContact CB-CG2 4.17Å; V622-V644 HydrophobicContact CG2-CG2 3.98Å; L625-V644 HydrophobicContact CD2-CG2 4.29Å; L625-V644 WeakPolarHBondContact O-CG1 3.35Å; P627-V644 HydrophobicContact CG-CG1 4.2Å; V641-V644 HydrophobicContact CG1-CB 4.44Å; V641-V644 HydrophobicContact CG1-CG1 4.36Å; V644-V663 HydrophobicContact CB-CG1 4.48Å; V644-V663 HydrophobicContact CB-CG2 4.38Å; V644-V663 HydrophobicContact CG2-CG2 3.98Å
645P87.6Confident77.8Confident52 Ų5265.7 Ų65.734%0.33834%0.338SS..SBendcis-66.2152.6-21.832.6-35.7000111.1F647 I661 P662P645-F647 HydrophobicContact CB-CZ 4.31Å; P645-F647 HydrophobicContact CG-CD2 4.38Å; P645-F647 HydrophobicContact CG-CE1 4.03Å; P645-F647 HydrophobicContact CG-CE2 3.58Å; P645-F647 HydrophobicContact CG-CZ 3.37Å; P645-I661 HydrophobicContact CB-CG2 3.91Å; P645-P662 CarbonylContact C-O 3.48Å; P645-P662 VanDerWaalsContact CA-O 3.26Å; P645-P662 WeakPolarHBondContact CA-O 3.31Å; P645-P662 HydrophobicContact CB-CG 4.39Å
646F86.3Confident76.3Confident14 Ų1469 Ų696%0.06134%0.343CS..PPolyproline II helixtrans-82.7118.2171.3174.7-120000110.3L615 K643 A648 M651 P662 L664 Y730L615-F646 HydrophobicContact CD1-CB 4.3Å; L615-F646 HydrophobicContact CD1-CD1 3.62Å; L615-F646 HydrophobicContact CD1-CE1 4.41Å; L615-F646 HydrophobicContact CD1-CG 4.3Å; K643-F646 HydrophobicContact CB-CB 4.39Å; K643-F646 HydrophobicContact CB-CD2 4.42Å; K643-F646 HydrophobicContact CD-CD2 3.88Å; K643-F646 HydrophobicContact CD-CE2 4.38Å; F646-A648 HydrophobicContact CE1-CB 3.99Å; F646-A648 HydrophobicContact CZ-CB 4.06Å; F646-M651 HydrophobicContact CD1-CE 3.45Å; F646-M651 VanDerWaalsContact CD1-CE 3.45Å; F646-M651 HydrophobicContact CE1-CE 3.79Å; F646-M651 HydrophobicContact CG-CE 4.39Å; F646-M651 WeakPolarHBondContact O-CE 3.47Å; F646-P662 HydrophobicContact CB-CB 4.32Å; F646-P662 PolarHBondContact N-O 3.1Å; F646-P662 WeakPolarHBondContact O-CG 3.33Å; F646-L664 HydrophobicContact CB-CB 4.16Å; F646-L664 HydrophobicContact CD2-CB 4.44Å; F646-L664 HydrophobicContact CG-CB 4.28Å; F646-Y730 HydrophobicContact CE1-CD2 4.15Å; F646-Y730 AromaticContact CE1-CE2 3.97Å; F646-Y730 HydrophobicContact CE1-CE2 3.97Å; F646-Y730 HydrophobicContact CZ-CD2 4.32Å; F646-Y730 AromaticContact CZ-CE2 3.67Å; F646-Y730 HydrophobicContact CZ-CE2 3.67Å
647F80.3Confident75Confident153 Ų15371.9 Ų71.967%0.67136%0.359SS*.PPolyproline II helixtrans-102.6123.1174.6-63-65.3000110.6P645P645-F647 HydrophobicContact CB-CZ 4.31Å; P645-F647 HydrophobicContact CG-CD2 4.38Å; P645-F647 HydrophobicContact CG-CE1 4.03Å; P645-F647 HydrophobicContact CG-CE2 3.58Å; P645-F647 HydrophobicContact CG-CZ 3.37Å
648A74.4Confident73.9Confident14 Ų1472 Ų7212%0.11637%0.365CS..  trans-118149.6168.900000110.2F646 N650 M651 N728F646-A648 HydrophobicContact CE1-CB 3.99Å; F646-A648 HydrophobicContact CZ-CB 4.06Å; A648-N650 PolarHBondContact O-N 3.2Å; A648-N650 VanDerWaalsContact O-N 3.11Å; A648-M651 HydrophobicContact CB-CB 4.33Å; A648-M651 HydrophobicContact CB-CE 4Å; A648-M651 VanDerWaalsContact O-CB 3.22Å; A648-M651 WeakPolarHBondContact O-CB 3.13Å; A648-M651 PolarHBondContact O-N 3.27Å; A648-N728 VanDerWaalsContact CB-ND2 3.27Å; A648-N728 WeakPolarHBondContact CB-ND2 3.44Å
649P68.8Low73.2Confident124 Ų12480.6 Ų80.681%0.80540%0.397SS*.THydrogen-bonded Turntrans-51.5-39.1-176.5-27.233.8000113.8M651P649-M651 VanDerWaalsContact C-N 3.29Å; P649-M651 PolarHBondContact O-N 2.98Å
650N65.5Low72.9Confident107 Ų10785.3 Ų85.357%0.57242%0.415SS*.THydrogen-bonded Turntrans-79.7-7-178.1-60.4-17.5000114A648 N728A648-N650 PolarHBondContact O-N 3.2Å; A648-N650 VanDerWaalsContact O-N 3.11Å; N650-N728 PolarHBondContact ND2-OD1 3.48Å
651M63.6Low72.8Confident4 Ų487 Ų872%0.0242%0.423CS..Hα-helixtrans-85-19.3-170.3-152.5-174.6-79.400113.2F646 A648 P649 Q653 T654 F655 P662 F727F646-M651 HydrophobicContact CD1-CE 3.45Å; F646-M651 VanDerWaalsContact CD1-CE 3.45Å; F646-M651 HydrophobicContact CE1-CE 3.79Å; F646-M651 HydrophobicContact CG-CE 4.39Å; F646-M651 WeakPolarHBondContact O-CE 3.47Å; A648-M651 HydrophobicContact CB-CB 4.33Å; A648-M651 HydrophobicContact CB-CE 4Å; A648-M651 VanDerWaalsContact O-CB 3.22Å; A648-M651 WeakPolarHBondContact O-CB 3.13Å; A648-M651 PolarHBondContact O-N 3.27Å; P649-M651 VanDerWaalsContact C-N 3.29Å; P649-M651 PolarHBondContact O-N 2.98Å; M651-Q653 PolarHBondContact O-N 2.52Å; M651-Q653 VanDerWaalsContact O-N 3.15Å; M651-T654 PolarHBondContact O-N 3.03Å; M651-F655 HydrophobicContact CB-CD2 4.43Å; M651-F655 HydrophobicContact CG-CD2 3.88Å; M651-F655 HydrophobicContact CG-CE2 3.84Å; M651-F655 WeakPolarHBondContact O-CD2 3.4Å; M651-F655 PolarHBondContact O-N 3.38Å; M651-F655 VanDerWaalsContact O-N 3.13Å; M651-F655 HydrophobicContact SD-CD2 4.17Å; M651-F655 HydrophobicContact SD-CE2 3.5Å; M651-F655 VanDerWaalsContact SD-CE2 3.5Å; M651-F655 HydrophobicContact SD-CZ 4.31Å; M651-P662 HydrophobicContact CE-CB 4.08Å; M651-P662 HydrophobicContact CE-CG 4.27Å; M651-P662 HydrophobicContact SD-CB 3.9Å; M651-P662 HydrophobicContact SD-CG 3.52Å; M651-P662 VanDerWaalsContact SD-CG 3.52Å; M651-F727 HydrophobicContact CB-CE1 4.33Å; M651-F727 HydrophobicContact CB-CZ 4.25Å; M651-F727 HydrophobicContact CE-CD1 4.17Å; M651-F727 HydrophobicContact CE-CE1 3.5Å; M651-F727 HydrophobicContact CE-CZ 4.45Å; M651-F727 HydrophobicContact CG-CE1 3.87Å; M651-F727 HydrophobicContact CG-CZ 3.86Å; M651-F727 HydrophobicContact SD-CE1 4.43Å
652R57.4Low72.7Confident220 Ų22087 Ų8783%0.8342%0.423SS*.Hα-helixtrans-56.9-29.7177.9-84.1-177.4173.3161.5-1.8113.1
653Q51.9Low72.8Confident166 Ų16685.9 Ų85.978%0.77642%0.415SS*.Hα-helixtrans-78-37176.5-73.2179-12.400112.2M651 N656M651-Q653 PolarHBondContact O-N 2.52Å; M651-Q653 VanDerWaalsContact O-N 3.15Å; Q653-N656 PolarHBondContact O-N 2.8Å
654T56.4Low72.9Confident62 Ų6280.9 Ų80.938%0.3839%0.393SS..Hα-helixtrans-74.6-32.1-176.5-29.70000112.9M651 N656 D657 D658M651-T654 PolarHBondContact O-N 3.03Å; T654-N656 PolarHBondContact O-N 3.42Å; T654-N656 VanDerWaalsContact O-N 3.15Å; T654-D657 PolarHBondContact O-N 3.45Å; T654-D658 PolarHBondContact O-N 2.97Å
655F54.9Low73Confident57 Ų5779.4 Ų79.425%0.2538%0.384CS..THydrogen-bonded Turntrans-61.2-20.4175.7-93.2-74.3000113.9M651 R660 P662M651-F655 HydrophobicContact CB-CD2 4.43Å; M651-F655 HydrophobicContact CG-CD2 3.88Å; M651-F655 HydrophobicContact CG-CE2 3.84Å; M651-F655 WeakPolarHBondContact O-CD2 3.4Å; M651-F655 PolarHBondContact O-N 3.38Å; M651-F655 VanDerWaalsContact O-N 3.13Å; M651-F655 HydrophobicContact SD-CD2 4.17Å; M651-F655 HydrophobicContact SD-CE2 3.5Å; M651-F655 VanDerWaalsContact SD-CE2 3.5Å; M651-F655 HydrophobicContact SD-CZ 4.31Å; F655-R660 VanDerWaalsContact CE1-O 3.27Å; F655-R660 WeakPolarHBondContact CE1-O 3.21Å; F655-P662 HydrophobicContact CE1-CG 4.42Å; F655-P662 HydrophobicContact CE2-CG 3.94Å; F655-P662 HydrophobicContact CZ-CG 3.48Å; F655-P662 VanDerWaalsContact CZ-CG 3.48Å
656N54.7Low73.1Confident120 Ų12081 Ų8164%0.64238%0.384SS*.THydrogen-bonded Turntrans-75.6-28.2178.4-88.2-4.3000113.3Q653 T654Q653-N656 PolarHBondContact O-N 2.8Å; T654-N656 PolarHBondContact O-N 3.42Å; T654-N656 VanDerWaalsContact O-N 3.15Å
657D58.9Low73.2Confident151 Ų15180.4 Ų80.481%0.80738%0.381SS*.THydrogen-bonded Turntrans-101.7-19.7-176.4-71.4-19.9000112.7T654T654-D657 PolarHBondContact O-N 3.45Å
658D62.5Low73.5Confident68 Ų6873.4 Ų73.436%0.36435%0.351SS..  trans-141.7101.6-177.4-152-24.6000109.8T654 R660T654-D658 PolarHBondContact O-N 2.97Å; D658-R660 PolarHBondContact O-N 3.45Å; D658-R660 WeakPolarHBondContact OD1-CG 3.44Å; D658-R660 IonicContact OD1-CZ 3.94Å; D658-R660 IonicContact OD1-NE 3.33Å; D658-R660 PolarHBondContact OD1-NE 3.02Å; D658-R660 IonicContact OD2-CZ 3.65Å; D658-R660 IonicContact OD2-NE 2.91Å; D658-R660 PolarHBondContact OD2-NE 3.08Å; D658-R660 IonicContact OD2-NH2 3.62Å; D658-R660 PolarHBondContact OD2-NH2 2.81Å
659Y71.9Confident73.7Confident203 Ų20373.4 Ų73.480%0.79635%0.349SS*.  trans-70.330.4-175.2-66.5-84.6000114
660R83.8Confident74Confident99 Ų9970.3 Ų70.337%0.37432%0.324SS..PPolyproline II helixtrans-86.6146.1178.7-69.1-174.9-76.3162.5-2111.4F617 F618 K619 F655 D658F617-R660 HydrophobicContact CB-CB 4.04Å; F617-R660 HydrophobicContact CD1-CB 4.42Å; F618-R660 CarbonylContact O-C 3.58Å; F618-R660 WeakPolarHBondContact O-CA 3.36Å; K619-R660 HydrophobicContact CB-CG 4.32Å; F655-R660 VanDerWaalsContact CE1-O 3.27Å; F655-R660 WeakPolarHBondContact CE1-O 3.21Å; D658-R660 PolarHBondContact O-N 3.45Å; D658-R660 WeakPolarHBondContact OD1-CG 3.44Å; D658-R660 IonicContact OD1-CZ 3.94Å; D658-R660 IonicContact OD1-NE 3.33Å; D658-R660 PolarHBondContact OD1-NE 3.02Å; D658-R660 IonicContact OD2-CZ 3.65Å; D658-R660 IonicContact OD2-NE 2.91Å; D658-R660 PolarHBondContact OD2-NE 3.08Å; D658-R660 IonicContact OD2-NH2 3.62Å; D658-R660 PolarHBondContact OD2-NH2 2.81Å
661I87.4Confident74.4Confident50 Ų5067.3 Ų67.326%0.25631%0.305SS..EExtended strand (participates in β ladder)trans-96.2117.6-176.7-55.5175.7000109.9F618 V622 P645F618-I661 PolarHBondContact N-O 2.85Å; F618-I661 PolarHBondContact O-N 3.37Å; V622-I661 HydrophobicContact CG1-CB 3.98Å; V622-I661 HydrophobicContact CG1-CD1 4.18Å; V622-I661 HydrophobicContact CG1-CG2 3.9Å; V622-I661 HydrophobicContact CG2-CD1 3.8Å; V622-I661 HydrophobicContact CG2-CG2 3.86Å; P645-I661 HydrophobicContact CB-CG2 3.91Å
662P89.3Confident74.7Confident0 Ų068.7 Ų68.70%031%0.312CS..EExtended strand (participates in β ladder)trans-75.9129.5178.931.5-35.6000111L615 M616 F617 P645 F646 M651 F655L615-P662 HydrophobicContact CD1-CB 4.23Å; M616-P662 CarbonylContact O-C 3.43Å; M616-P662 VanDerWaalsContact O-CA 3.32Å; M616-P662 WeakPolarHBondContact O-CA 3.29Å; F617-P662 HydrophobicContact CD1-CB 4.02Å; F617-P662 HydrophobicContact CE1-CB 3.74Å; P645-P662 CarbonylContact C-O 3.48Å; P645-P662 VanDerWaalsContact CA-O 3.26Å; P645-P662 WeakPolarHBondContact CA-O 3.31Å; P645-P662 HydrophobicContact CB-CG 4.39Å; F646-P662 HydrophobicContact CB-CB 4.32Å; F646-P662 PolarHBondContact N-O 3.1Å; F646-P662 WeakPolarHBondContact O-CG 3.33Å; M651-P662 HydrophobicContact CE-CB 4.08Å; M651-P662 HydrophobicContact CE-CG 4.27Å; M651-P662 HydrophobicContact SD-CB 3.9Å; M651-P662 HydrophobicContact SD-CG 3.52Å; M651-P662 VanDerWaalsContact SD-CG 3.52Å; F655-P662 HydrophobicContact CE1-CG 4.42Å; F655-P662 HydrophobicContact CE2-CG 3.94Å; F655-P662 HydrophobicContact CZ-CG 3.48Å; F655-P662 VanDerWaalsContact CZ-CG 3.48Å
663V92.3Very high75.3Confident0 Ų062.5 Ų62.50%029%0.291CS..EExtended strand (participates in β ladder)trans-126.5123.3177.2178.60000108.4M616 F618 V622 L625 V641 V644 I665M616-V663 PolarHBondContact N-O 2.88Å; M616-V663 PolarHBondContact O-N 3.35Å; F618-V663 HydrophobicContact CD2-CB 4.14Å; F618-V663 HydrophobicContact CD2-CG2 3.68Å; F618-V663 HydrophobicContact CE2-CB 4.02Å; F618-V663 HydrophobicContact CE2-CG2 3.98Å; V622-V663 HydrophobicContact CG1-CG2 4.15Å; L625-V663 HydrophobicContact CD2-CG1 3.84Å; L625-V663 HydrophobicContact CD2-CG2 4.02Å; V641-V663 HydrophobicContact CG1-CG1 3.68Å; V641-V663 HydrophobicContact CG2-CG1 4.48Å; V644-V663 HydrophobicContact CB-CG1 4.48Å; V644-V663 HydrophobicContact CB-CG2 4.38Å; V644-V663 HydrophobicContact CG2-CG2 3.98Å; V663-I665 HydrophobicContact CG1-CG2 4.23Å
664L93Very high75.8Confident3 Ų360.1 Ų60.12%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-89.6126.9175.9-166.980.4000108.9D613 L615 S642 K643 F646 Y730D613-L664 HydrophobicContact CB-CD1 4.4Å; L615-L664 HydrophobicContact CD1-CD1 4.26Å; S642-L664 PolarHBondContact N-O 3.48Å; K643-L664 HydrophobicContact CB-CB 4.08Å; K643-L664 HydrophobicContact CD-CD2 4.39Å; K643-L664 PolarHBondContact N-O 2.76Å; K643-L664 PolarHBondContact O-N 3.31Å; F646-L664 HydrophobicContact CB-CB 4.16Å; F646-L664 HydrophobicContact CD2-CB 4.44Å; F646-L664 HydrophobicContact CG-CB 4.28Å; L664-Y730 HydrophobicContact CD1-CD1 3.83Å; L664-Y730 HydrophobicContact CD1-CD2 4.31Å; L664-Y730 HydrophobicContact CD1-CE1 3.86Å; L664-Y730 HydrophobicContact CD1-CE2 4.34Å; L664-Y730 HydrophobicContact CD1-CG 4.04Å
665I92.5Very high76Confident0 Ų064.4 Ų64.40%030%0.297CS..EExtended strand (participates in β ladder)trans-118150.5176.769.9170.7000110.4D613 Y614 M616 V631 T640 V641 V663 I667 I733D613-I665 CarbonylContact C-O 3.56Å; D613-I665 VanDerWaalsContact CA-O 3.32Å; D613-I665 WeakPolarHBondContact CA-O 3.31Å; Y614-I665 PolarHBondContact N-O 3.13Å; Y614-I665 PolarHBondContact O-N 2.82Å; M616-I665 HydrophobicContact CG-CD1 4.28Å; M616-I665 HydrophobicContact CG-CG2 4.49Å; M616-I665 HydrophobicContact SD-CD1 3.8Å; M616-I665 HydrophobicContact SD-CG1 4.47Å; M616-I665 HydrophobicContact SD-CG2 3.83Å; V631-I665 HydrophobicContact CG1-CD1 4.3Å; V631-I665 HydrophobicContact CG2-CB 3.99Å; V631-I665 HydrophobicContact CG2-CG2 3.99Å; T640-I665 CarbonylContact O-C 3.53Å; T640-I665 WeakPolarHBondContact O-CA 3.41Å; V641-I665 HydrophobicContact CG2-CG2 4.28Å; V663-I665 HydrophobicContact CG1-CG2 4.23Å; I665-I667 HydrophobicContact CD1-CD1 4.19Å; I665-I733 HydrophobicContact CD1-CD1 3.83Å
666R90.2Very high76.5Confident86 Ų8667.5 Ų67.533%0.32532%0.316SS..EExtended strand (participates in β ladder)trans-112.4115.2174.5-81.2174.7-177.8-173.1-3.8108.7H611 D613 G639 T640 S642H611-R666 HydrophobicContact CB-CB 4.06Å; H611-R666 HydrophobicContact CB-CG 4.05Å; H611-R666 PolarHBondContact CD2-NE 3.48Å; D613-R666 WeakPolarHBondContact OD1-CG 3.43Å; D613-R666 IonicContact OD1-NE 3Å; D613-R666 PolarHBondContact OD1-NE 2.88Å; G639-R666 CarbonylContact C-O 3.53Å; G639-R666 WeakPolarHBondContact CA-O 3.44Å; T640-R666 PolarHBondContact N-O 3.14Å; T640-R666 PolarHBondContact O-N 3.45Å; S642-R666 PolarHBondContact OG-NE 3.28Å
667I88.3Confident76.7Confident1 Ų163.6 Ų63.61%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-85.8131.7166.2-59.4-57.5000107.2H611 I612 Y614 V631 L638 I665 P669 V682 L686 L712H611-I667 CarbonylContact C-O 3.55Å; H611-I667 VanDerWaalsContact CA-O 3.26Å; H611-I667 WeakPolarHBondContact CA-O 3.36Å; I612-I667 PolarHBondContact N-O 3.08Å; I612-I667 PolarHBondContact O-N 3.15Å; Y614-I667 HydrophobicContact CD2-CB 4.46Å; Y614-I667 HydrophobicContact CD2-CG1 3.77Å; Y614-I667 HydrophobicContact CE2-CB 4.46Å; Y614-I667 HydrophobicContact CE2-CG1 4.04Å; V631-I667 HydrophobicContact CG1-CD1 4.13Å; L638-I667 HydrophobicContact CB-CD1 4.34Å; I665-I667 HydrophobicContact CD1-CD1 4.19Å; I667-P669 WeakPolarHBondContact O-CD 3.34Å; I667-V682 HydrophobicContact CG2-CG1 4.3Å; I667-L686 HydrophobicContact CG1-CD1 4.3Å; I667-L686 HydrophobicContact CG2-CD1 4.02Å; I667-L712 HydrophobicContact CD1-CD1 4.26Å
668E85.7Confident76.6Confident6 Ų665.1 Ų65.13%0.02831%0.306CS..  trans-114.188.6-172.7-69.4163-147.700108.2H611 L638 T640 E670 R671H611-E668 HydrophobicContact CB-CG 4.47Å; L638-E668 PolarHBondContact O-N 3.09Å; T640-E668 WeakPolarHBondContact CG2-OE1 3.49Å; T640-E668 PolarHBondContact OG1-OE1 3.32Å; E668-E670 PolarHBondContact O-N 3.45Å; E668-E670 VanDerWaalsContact O-N 3.12Å; E668-R671 HydrophobicContact CB-CG 4.08Å; E668-R671 WeakPolarHBondContact O-CB 3.44Å; E668-R671 PolarHBondContact O-N 3.31Å; E668-R671 VanDerWaalsContact O-N 3.09Å; E668-R671 IonicContact OE2-CZ 3.77Å; E668-R671 IonicContact OE2-NE 2.65Å; E668-R671 PolarHBondContact OE2-NE 3.31Å; E668-R671 IonicContact OE2-NH2 3.03Å; E668-R671 PolarHBondContact OE2-NH2 3.49Å
669P79.2Confident76.2Confident14 Ų1469.7 Ų69.79%0.09133%0.33CS..THydrogen-bonded Turntrans-58.4-29.6-171-2838.7000114D610 I612 I667 R671 L672 K673 V682D610-P669 WeakPolarHBondContact O-CD 3.4Å; I612-P669 HydrophobicContact CD1-CG 3.65Å; I612-P669 HydrophobicContact CG1-CG 4.31Å; I667-P669 WeakPolarHBondContact O-CD 3.34Å; P669-R671 PolarHBondContact O-N 2.89Å; P669-L672 WeakPolarHBondContact O-CB 3.01Å; P669-L672 PolarHBondContact O-N 2.94Å; P669-K673 PolarHBondContact O-N 2.86Å; P669-V682 HydrophobicContact CB-CB 4.24Å; P669-V682 HydrophobicContact CB-CG2 3.82Å; P669-V682 HydrophobicContact CG-CB 4.38Å; P669-V682 HydrophobicContact CG-CG2 4.49Å
670E73.9Confident75.6Confident59 Ų5961.2 Ų61.228%0.27630%0.302SS..Hα-helixtrans-59.9-29.6179.5-70.7-179.5163.900112.8Y608 D610 E668 L672 K673 M674Y608-E670 WeakPolarHBondContact CA-OE2 3.44Å; Y608-E670 HydrophobicContact CD1-CB 3.52Å; Y608-E670 HydrophobicContact CE1-CB 4.07Å; D610-E670 HydrophobicContact CB-CG 4.37Å; E668-E670 PolarHBondContact O-N 3.45Å; E668-E670 VanDerWaalsContact O-N 3.12Å; E670-L672 PolarHBondContact O-N 2.95Å; E670-K673 PolarHBondContact O-N 3.5Å; E670-M674 PolarHBondContact O-N 3.31Å
671R74Confident74.8Confident45 Ų4561.7 Ų61.717%0.1731%0.312CS..Hα-helixtrans-59.8-32.7172.8-66-172.6-178.5-103.7-5.5112.7Y608 R637 E668 P669Y608-R671 HydrophobicContact CD1-CG 4.23Å; Y608-R671 HydrophobicContact CD2-CG 4.1Å; Y608-R671 HydrophobicContact CE1-CG 4.03Å; Y608-R671 HydrophobicContact CE2-CG 3.94Å; Y608-R671 HydrophobicContact CG-CG 4.22Å; R637-R671 VanDerWaalsContact O-CD 3.27Å; R637-R671 WeakPolarHBondContact O-CD 3.06Å; E668-R671 HydrophobicContact CB-CG 4.08Å; E668-R671 WeakPolarHBondContact O-CB 3.44Å; E668-R671 PolarHBondContact O-N 3.31Å; E668-R671 VanDerWaalsContact O-N 3.09Å; E668-R671 IonicContact OE2-CZ 3.77Å; E668-R671 IonicContact OE2-NE 2.65Å; E668-R671 PolarHBondContact OE2-NE 3.31Å; E668-R671 IonicContact OE2-NH2 3.03Å; E668-R671 PolarHBondContact OE2-NH2 3.49Å; P669-R671 PolarHBondContact O-N 2.89Å
672L71.5Confident73.8Confident33 Ų3360 Ų6017%0.17330%0.304CS..Hα-helixtrans-88.1-38.9179-72.3153.2000111.1L638 P669 E670 M674 Q675 L676 V682L638-L672 HydrophobicContact CD2-CD1 4.03Å; L638-L672 HydrophobicContact CD2-CD2 3.93Å; L638-L672 HydrophobicContact CD2-CG 4.18Å; P669-L672 WeakPolarHBondContact O-CB 3.01Å; P669-L672 PolarHBondContact O-N 2.94Å; E670-L672 PolarHBondContact O-N 2.95Å; L672-M674 VanDerWaalsContact C-N 3.3Å; L672-M674 PolarHBondContact O-N 2.95Å; L672-Q675 CarbonylContact O-C 3.56Å; L672-Q675 PolarHBondContact O-N 3.37Å; L672-L676 HydrophobicContact CB-CD1 4.17Å; L672-L676 HydrophobicContact CD2-CD1 3.79Å; L672-L676 WeakPolarHBondContact O-CB 3.47Å; L672-L676 PolarHBondContact O-N 3.17Å; L672-V682 HydrophobicContact CD1-CG2 4.33Å
673K69.3Low72.8Confident89 Ų8963 Ų6339%0.38732%0.323SS..Hα-helixtrans-59-39.8-179.6-74.1-177.2177.1179.50112.5P669 E670 Q675 L676 G677P669-K673 PolarHBondContact O-N 2.86Å; E670-K673 PolarHBondContact O-N 3.5Å; K673-Q675 PolarHBondContact O-N 2.88Å; K673-L676 PolarHBondContact O-N 2.89Å; K673-G677 PolarHBondContact O-N 2.81Å
674M61.8Low71.7Confident116 Ų11669.7 Ų69.757%0.57135%0.354SS*.Hα-helixtrans-60.2-26.2175.8-79.3-170.6177.400113.3E670 L672E670-M674 PolarHBondContact O-N 3.31Å; L672-M674 VanDerWaalsContact C-N 3.3Å; L672-M674 PolarHBondContact O-N 2.95Å
675Q62.1Low70.8Confident152 Ų15274.9 Ų74.971%0.7138%0.378SS*.Hα-helixtrans-102.1-29.2179.6-73.1-175.7-22.700114.1L672 K673L672-Q675 CarbonylContact O-C 3.56Å; L672-Q675 PolarHBondContact O-N 3.37Å; K673-Q675 PolarHBondContact O-N 2.88Å
676L63.4Low70Confident123 Ų12375.3 Ų75.364%0.64438%0.38SS*.Hα-helixtrans-108.4-5.5-171.1-67.8168.8000114.2L672 K673L672-L676 HydrophobicContact CB-CD1 4.17Å; L672-L676 HydrophobicContact CD2-CD1 3.79Å; L672-L676 WeakPolarHBondContact O-CB 3.47Å; L672-L676 PolarHBondContact O-N 3.17Å; K673-L676 PolarHBondContact O-N 2.89Å
677G59.8Low69.3Low37 Ų3772.4 Ų72.438%0.38138%0.377SS..  trans81.4169-178.200000113.9K673 N679K673-G677 PolarHBondContact O-N 2.81Å; G677-N679 PolarHBondContact O-N 3.27Å
678E57.3Low68.7Low183 Ų18376.7 Ų76.786%0.85540%0.397SS*.THydrogen-bonded Turntrans-59.4-20-167.2-80.7-174.3137.700116.1A680E678-A680 PolarHBondContact O-N 3.43Å
679N54.3Low68.5Low164 Ų16479.2 Ų79.288%0.87741%0.41SS*.THydrogen-bonded Turntrans-89.317.7-168.2-73.7-15.5000115.9G677 D681G677-N679 PolarHBondContact O-N 3.27Å; N679-D681 PolarHBondContact O-N 2.99Å
680A58.1Low68.6Low25 Ų2579.3 Ų79.321%0.20741%0.41CS..  trans-91.894-178.600000112E678 V682E678-A680 PolarHBondContact O-N 3.43Å; A680-V682 HydrophobicContact CB-CG2 4.44Å; A680-V682 PolarHBondContact O-N 2.74Å
681D67.4Low68.8Low109 Ų10984 Ų8458%0.58343%0.43SS*.  trans-76.887.7169.6-134.6-22.8000109.5N679 V683 E684 H685N679-D681 PolarHBondContact O-N 2.99Å; D681-V683 VanDerWaalsContact C-N 3.31Å; D681-V683 PolarHBondContact O-N 3.19Å; D681-E684 PolarHBondContact O-N 2.89Å; D681-H685 PolarHBondContact O-N 2.9Å; D681-H685 PolarHBondContact O-ND1 3.47Å
682V67.3Low69.1Low15 Ų1590.3 Ų90.39%0.09145%0.453CS..Hα-helixtrans-64.4-33.6-167.7175.40000112.3I667 P669 L672 A680 H685 L686I667-V682 HydrophobicContact CG2-CG1 4.3Å; P669-V682 HydrophobicContact CB-CB 4.24Å; P669-V682 HydrophobicContact CB-CG2 3.82Å; P669-V682 HydrophobicContact CG-CB 4.38Å; P669-V682 HydrophobicContact CG-CG2 4.49Å; L672-V682 HydrophobicContact CD1-CG2 4.33Å; A680-V682 HydrophobicContact CB-CG2 4.44Å; A680-V682 PolarHBondContact O-N 2.74Å; V682-H685 PolarHBondContact O-N 3.04Å; V682-L686 HydrophobicContact CG1-CD1 3.9Å; V682-L686 WeakPolarHBondContact O-CB 3.29Å; V682-L686 PolarHBondContact O-N 2.95Å
683V67.4Low69.6Low64 Ų6489.3 Ų89.339%0.38845%0.451SS..Hα-helixtrans-63.1-47.6-177.91780000111.2I612 D681 L686 G687I612-V683 HydrophobicContact CD1-CG2 3.45Å; I612-V683 VanDerWaalsContact CD1-CG2 3.45Å; I612-V683 HydrophobicContact CG1-CG2 4.33Å; D681-V683 VanDerWaalsContact C-N 3.31Å; D681-V683 PolarHBondContact O-N 3.19Å; V683-L686 PolarHBondContact O-N 3.25Å; V683-G687 PolarHBondContact O-N 3.33Å
684E69.9Low70.5Confident139 Ų13985.2 Ų85.265%0.6543%0.433SS*.Hα-helixtrans-67.1-41.3-177.5-163.9170.8-159.200110.8D681 G687 E688D681-E684 PolarHBondContact O-N 2.89Å; E684-G687 PolarHBondContact O-N 2.99Å; E684-E688 PolarHBondContact O-N 3.45Å; E684-E688 VanDerWaalsContact O-N 3.08Å
685H74.4Confident71.8Confident113 Ų11380.5 Ų80.552%0.52341%0.409SS..Hα-helixtrans-61.3-47174-76.879.7000111.9D681 V682 G687 E688 L689D681-H685 PolarHBondContact O-N 2.9Å; D681-H685 PolarHBondContact O-ND1 3.47Å; V682-H685 PolarHBondContact O-N 3.04Å; H685-G687 VanDerWaalsContact C-N 3.32Å; H685-G687 PolarHBondContact O-N 3.25Å; H685-E688 PolarHBondContact O-N 3.27Å; H685-E688 VanDerWaalsContact O-N 3.14Å; H685-L689 WeakPolarHBondContact O-CG 3.3Å; H685-L689 PolarHBondContact O-N 3.38Å
686L74.8Confident73.1Confident9 Ų973.2 Ų73.25%0.04738%0.375CS..Hα-helixtrans-61.7-41.1179.6-120139.1000111.7Y614 I667 V682 V683 E688 L689 L690 L694 I733Y614-L686 HydrophobicContact CE2-CD1 4.43Å; I667-L686 HydrophobicContact CG1-CD1 4.3Å; I667-L686 HydrophobicContact CG2-CD1 4.02Å; V682-L686 HydrophobicContact CG1-CD1 3.9Å; V682-L686 WeakPolarHBondContact O-CB 3.29Å; V682-L686 PolarHBondContact O-N 2.95Å; V683-L686 PolarHBondContact O-N 3.25Å; L686-E688 VanDerWaalsContact C-N 3.33Å; L686-E688 PolarHBondContact O-N 3.21Å; L686-L689 PolarHBondContact O-N 3.07Å; L686-L690 VanDerWaalsContact O-CG 3.26Å; L686-L690 WeakPolarHBondContact O-CG 3.47Å; L686-L690 PolarHBondContact O-N 3.32Å; L686-L694 HydrophobicContact CD2-CD2 4.09Å; L686-I733 HydrophobicContact CD2-CD1 4.08Å
687G75.4Confident74.5Confident25 Ų2567.4 Ų67.426%0.25834%0.344SS..Hα-helixtrans-58.6-41.1173.900000113.2V683 E684 H685 K691V683-G687 PolarHBondContact O-N 3.33Å; E684-G687 PolarHBondContact O-N 2.99Å; H685-G687 VanDerWaalsContact C-N 3.32Å; H685-G687 PolarHBondContact O-N 3.25Å; G687-K691 PolarHBondContact O-N 3.09Å
688E76.5Confident76Confident91 Ų9166.3 Ų66.343%0.42533%0.33SS..Hα-helixtrans-67.8-43.6172.4-76.3-149.3164.500113E684 H685 L686 L690 K691 R692E684-E688 PolarHBondContact O-N 3.45Å; E684-E688 VanDerWaalsContact O-N 3.08Å; H685-E688 PolarHBondContact O-N 3.27Å; H685-E688 VanDerWaalsContact O-N 3.14Å; L686-E688 VanDerWaalsContact C-N 3.33Å; L686-E688 PolarHBondContact O-N 3.21Å; E688-L690 VanDerWaalsContact C-N 3.27Å; E688-L690 PolarHBondContact O-N 3.12Å; E688-K691 WeakPolarHBondContact O-CB 3.38Å; E688-K691 PolarHBondContact O-N 3.43Å; E688-K691 VanDerWaalsContact O-N 3.07Å; E688-R692 WeakPolarHBondContact O-CG 3.13Å; E688-R692 PolarHBondContact O-N 2.97Å; E688-R692 IonicContact OE2-CZ 3.73Å; E688-R692 IonicContact OE2-NE 3.98Å; E688-R692 IonicContact OE2-NH2 3.54Å; E688-R692 PolarHBondContact OE2-NH2 3.46Å
689L81.5Confident77.5Confident59 Ų5961.1 Ų61.131%0.30930%0.304SS..Hα-helixtrans-61.8-38-179.5-64.5168.5000110.7H685 L686 K691 R692 G693 L694 F714H685-L689 WeakPolarHBondContact O-CG 3.3Å; H685-L689 PolarHBondContact O-N 3.38Å; L686-L689 PolarHBondContact O-N 3.07Å; L689-K691 VanDerWaalsContact C-N 3.34Å; L689-K691 PolarHBondContact O-N 3.14Å; L689-R692 CarbonylContact O-C 3.57Å; L689-R692 WeakPolarHBondContact O-CA 3.44Å; L689-R692 PolarHBondContact O-N 3.29Å; L689-R692 VanDerWaalsContact O-N 3.1Å; L689-G693 PolarHBondContact O-N 3.36Å; L689-G693 VanDerWaalsContact O-N 3.15Å; L689-L694 HydrophobicContact CB-CB 4.15Å; L689-L694 HydrophobicContact CB-CD2 4.07Å; L689-L694 VanDerWaalsContact O-CB 3.24Å; L689-L694 WeakPolarHBondContact O-CB 3.36Å; L689-L694 PolarHBondContact O-N 3.32Å; L689-F714 HydrophobicContact CB-CZ 4.11Å; L689-F714 HydrophobicContact CD2-CE2 4.38Å; L689-F714 HydrophobicContact CD2-CZ 3.63Å; L689-F714 HydrophobicContact CG-CZ 4.4Å
690L79.9Confident79.1Confident16 Ų1656.6 Ų56.68%0.08428%0.283CS..Hα-helixtrans-59.5-41.9173.1-69.9170.6000112.3L686 E688 R692 G693 L694 R695 I721 I733L686-L690 VanDerWaalsContact O-CG 3.26Å; L686-L690 WeakPolarHBondContact O-CG 3.47Å; L686-L690 PolarHBondContact O-N 3.32Å; E688-L690 VanDerWaalsContact C-N 3.27Å; E688-L690 PolarHBondContact O-N 3.12Å; L690-R692 VanDerWaalsContact C-N 3.31Å; L690-G693 PolarHBondContact O-N 2.95Å; L690-L694 HydrophobicContact CD2-CB 4.31Å; L690-L694 HydrophobicContact CD2-CD2 4.3Å; L690-R695 PolarHBondContact O-NH1 3.07Å; L690-I721 HydrophobicContact CB-CD1 4.32Å; L690-I721 WeakPolarHBondContact O-CD1 3.44Å; L690-I733 HydrophobicContact CD2-CB 4.26Å; L690-I733 HydrophobicContact CD2-CG1 4.07Å; L690-I733 HydrophobicContact CD2-CG2 3.84Å
691K78.3Confident80.2Confident158 Ų15857.5 Ų57.569%0.68730%0.295SS*.Hα-helixtrans-65.7-34.1174.3-67174.7-173.7169.80112G687 E688 L689 G693G687-K691 PolarHBondContact O-N 3.09Å; E688-K691 WeakPolarHBondContact O-CB 3.38Å; E688-K691 PolarHBondContact O-N 3.43Å; E688-K691 VanDerWaalsContact O-N 3.07Å; L689-K691 VanDerWaalsContact C-N 3.34Å; L689-K691 PolarHBondContact O-N 3.14Å; K691-G693 PolarHBondContact O-N 2.89Å
692R81.4Confident80.5Confident176 Ų17654.1 Ų54.166%0.66428%0.277SS*.THydrogen-bonded Turntrans-78.61.7176.2-64.5-177.1-165.7-162.58.4114.1E688 L689 L690 F714E688-R692 WeakPolarHBondContact O-CG 3.13Å; E688-R692 PolarHBondContact O-N 2.97Å; E688-R692 IonicContact OE2-CZ 3.73Å; E688-R692 IonicContact OE2-NE 3.98Å; E688-R692 IonicContact OE2-NH2 3.54Å; E688-R692 PolarHBondContact OE2-NH2 3.46Å; L689-R692 CarbonylContact O-C 3.57Å; L689-R692 WeakPolarHBondContact O-CA 3.44Å; L689-R692 PolarHBondContact O-N 3.29Å; L689-R692 VanDerWaalsContact O-N 3.1Å; L690-R692 VanDerWaalsContact C-N 3.31Å; R692-F714 HydrophobicContact CB-CE1 3.92Å; R692-F714 WeakPolarHBondContact O-CD1 3.48Å
693G82.4Confident81.1Confident12 Ų1261.2 Ų61.212%0.12431%0.313CS..THydrogen-bonded Turntrans101.820.3173.300000115.3L689 L690 K691 R695L689-G693 PolarHBondContact O-N 3.36Å; L689-G693 VanDerWaalsContact O-N 3.15Å; L690-G693 PolarHBondContact O-N 2.95Å; K691-G693 PolarHBondContact O-N 2.89Å; G693-R695 PolarHBondContact O-N 3.3Å
694L86.5Confident81.4Confident4 Ų464.5 Ų64.52%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-61.3128.4169.6-168.777.2000109.4F633 L686 L689 L690 L712 F714F633-L694 HydrophobicContact CD2-CD1 3.87Å; F633-L694 HydrophobicContact CE2-CD1 3.76Å; L686-L694 HydrophobicContact CD2-CD2 4.09Å; L689-L694 HydrophobicContact CB-CB 4.15Å; L689-L694 HydrophobicContact CB-CD2 4.07Å; L689-L694 VanDerWaalsContact O-CB 3.24Å; L689-L694 WeakPolarHBondContact O-CB 3.36Å; L689-L694 PolarHBondContact O-N 3.32Å; L690-L694 HydrophobicContact CD2-CB 4.31Å; L690-L694 HydrophobicContact CD2-CD2 4.3Å; L694-L712 HydrophobicContact CD1-CB 4.26Å; L694-F714 HydrophobicContact CB-CE1 4.03Å; L694-F714 HydrophobicContact CB-CZ 4.32Å; L694-F714 HydrophobicContact CD1-CE1 4.45Å; L694-F714 HydrophobicContact CD1-CE2 4.14Å; L694-F714 HydrophobicContact CD1-CZ 4.07Å
695R89.1Confident81.9Confident16 Ų1662.4 Ų62.46%0.0633%0.33CS..EExtended strand (participates in β ladder)trans-135.8150.5177.2-59.2-68.2179.7-95.6-0109.9L690 G693 L712 D713 Y715 P719 P734 V736L690-R695 PolarHBondContact O-NH1 3.07Å; G693-R695 PolarHBondContact O-N 3.3Å; R695-L712 WeakPolarHBondContact O-CA 3.43Å; R695-D713 PolarHBondContact N-O 3.26Å; R695-D713 PolarHBondContact O-N 2.97Å; R695-D713 VanDerWaalsContact O-N 3.14Å; R695-Y715 HydrophobicContact CB-CD2 3.82Å; R695-Y715 HydrophobicContact CB-CE2 4.29Å; R695-Y715 HydrophobicContact CG-CD2 4.4Å; R695-P719 PolarHBondContact NH2-O 3.19Å; R695-P719 VanDerWaalsContact NH2-O 3.11Å; R695-P734 VanDerWaalsContact CA-O 3.31Å; R695-P734 WeakPolarHBondContact CA-O 3.33Å; R695-P734 WeakPolarHBondContact CD-O 3.44Å; R695-V736 HydrophobicContact CB-CG1 3.98Å; R695-V736 HydrophobicContact CB-CG2 4.05Å; R695-V736 HydrophobicContact CG-CG1 3.91Å
696G90.8Very high82.2Confident0 Ų058.6 Ų58.60%032%0.321CS..EExtended strand (participates in β ladder)trans-86.614216800000113D711 P734 T735 V736G696-D711 CarbonylContact C-O 3.6Å; G696-D711 WeakPolarHBondContact CA-O 3.32Å; G696-P734 PolarHBondContact N-O 3.38Å; G696-T735 CarbonylContact O-C 3.57Å; G696-T735 WeakPolarHBondContact O-CA 3.45Å; G696-V736 PolarHBondContact O-N 3.13Å
697S91.7Very high82.7Confident0 Ų059.9 Ų59.90%033%0.333CS..EExtended strand (participates in β ladder)trans-134.4159.4165.777.80000110.2D711 Y715S697-D711 PolarHBondContact N-O 2.92Å; S697-D711 PolarHBondContact O-N 2.93Å; S697-Y715 VanDerWaalsContact CB-OH 3.28Å; S697-Y715 WeakPolarHBondContact CB-OH 3.47Å; S697-Y715 PolarHBondContact OG-OH 3.18Å
698L91.5Very high83.4Confident14 Ų1459.9 Ų59.97%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-93.8124.9168.8-62.1175000108.6F618 V622 L625 L708 V710F618-L698 HydrophobicContact CB-CD1 4.38Å; F618-L698 HydrophobicContact CD1-CD1 3.89Å; F618-L698 HydrophobicContact CD1-CD2 4.25Å; F618-L698 HydrophobicContact CD1-CG 3.66Å; F618-L698 HydrophobicContact CD2-CD1 4.48Å; F618-L698 HydrophobicContact CD2-CD2 4.45Å; F618-L698 HydrophobicContact CE1-CD1 4.3Å; F618-L698 HydrophobicContact CE1-CD2 3.83Å; F618-L698 HydrophobicContact CE1-CG 3.57Å; F618-L698 HydrophobicContact CE2-CD2 4.03Å; F618-L698 HydrophobicContact CE2-CG 4.47Å; F618-L698 HydrophobicContact CG-CD1 3.99Å; F618-L698 HydrophobicContact CG-CG 4.17Å; F618-L698 HydrophobicContact CZ-CD2 3.7Å; F618-L698 HydrophobicContact CZ-CG 4Å; V622-L698 HydrophobicContact CG1-CD1 4.12Å; L625-L698 HydrophobicContact CD1-CD2 4.14Å; L625-L698 HydrophobicContact CD2-CD2 3.88Å; L698-L708 HydrophobicContact CB-CD1 4.42Å; L698-L708 HydrophobicContact CD1-CD1 4.28Å; L698-V710 HydrophobicContact CD2-CG2 4.12Å
699K89.8Confident84.1Confident74 Ų7457.4 Ų57.432%0.32231%0.314SS..EExtended strand (participates in β ladder)trans-119.8151173.4-74.3-175.3-179.5162.70109.9G701 L708 Y709 D711K699-G701 PolarHBondContact O-N 2.86Å; K699-L708 WeakPolarHBondContact O-CA 3.28Å; K699-Y709 HydrophobicContact CB-CD1 4.14Å; K699-Y709 HydrophobicContact CB-CE1 3.48Å; K699-Y709 VanDerWaalsContact CB-CE1 3.48Å; K699-Y709 HydrophobicContact CB-CE2 4.22Å; K699-Y709 WeakPolarHBondContact CD-OH 3.45Å; K699-Y709 PolarHBondContact N-O 3.06Å; K699-Y709 VanDerWaalsContact N-O 3.12Å; K699-Y709 VanDerWaalsContact O-CD1 3.31Å; K699-Y709 WeakPolarHBondContact O-CD1 3.42Å; K699-Y709 PolarHBondContact O-N 2.92Å; K699-D711 HydrophobicContact CB-CB 4.41Å; K699-D711 HydrophobicContact CD-CB 3.68Å; K699-D711 WeakPolarHBondContact CE-OD2 3.41Å; K699-D711 HydrophobicContact CG-CB 3.97Å; K699-D711 IonicContact NZ-OD1 2.88Å; K699-D711 PolarHBondContact NZ-OD1 3.33Å; K699-D711 IonicContact NZ-OD2 3.45Å; K699-D711 PolarHBondContact NZ-OD2 3.37Å
700T86.7Confident84.7Confident69 Ų6954.6 Ų54.642%0.42330%0.299SS..EExtended strand (participates in β ladder)trans-78.6117176.3-51.70000109.3N702 L703T700-N702 WeakPolarHBondContact CG2-O 3.44Å; T700-L703 HydrophobicContact CG2-CD2 4.35Å
701G80.7Confident85.4Confident45 Ų4554 Ų5446%0.46430%0.296SS..SBendtrans-84.1-34.3176.500000112.4K699 A707K699-G701 PolarHBondContact O-N 2.86Å; G701-A707 PolarHBondContact N-O 2.79Å
702N75.7Confident86Confident37 Ų3746.5 Ų46.520%0.19826%0.264CS..  trans-133115.4176.7-173-15.4000110.4T700 V704 T705 G706 A707T700-N702 WeakPolarHBondContact CG2-O 3.44Å; N702-V704 PolarHBondContact O-N 2.67Å; N702-V704 WeakPolarHBondContact OD1-CB 3.05Å; N702-V704 PolarHBondContact OD1-N 2.78Å; N702-T705 WeakPolarHBondContact CB-OG1 3.44Å; N702-G706 WeakPolarHBondContact O-CA 3.46Å; N702-G706 PolarHBondContact O-N 3.36Å; N702-A707 HydrophobicContact CB-CB 4.38Å; N702-A707 PolarHBondContact N-O 3Å
703L78Confident86.4Confident164 Ų16439.8 Ų39.886%0.85924%0.241SC*.THydrogen-bonded Turntrans-65.7-21.3179.8-72162.8000112.9T700T700-L703 HydrophobicContact CG2-CD2 4.35Å
704V75.5Confident86.6Confident133 Ų13342 Ų4281%0.80625%0.247SC*.THydrogen-bonded Turntrans-84.1-49.8-178.8-1760000111.3N702N702-V704 PolarHBondContact O-N 2.67Å; N702-V704 WeakPolarHBondContact OD1-CB 3.05Å; N702-V704 PolarHBondContact OD1-N 2.78Å
705T78.6Confident86.2Confident96 Ų9644.9 Ų44.959%0.58926%0.258SS*.THydrogen-bonded Turntrans-86-16.1-177.961.40000113.1N702 A707N702-T705 WeakPolarHBondContact CB-OG1 3.44Å; T705-A707 PolarHBondContact O-N 2.86Å; T705-A707 WeakPolarHBondContact OG1-CB 3.27Å; T705-A707 PolarHBondContact OG1-N 2.77Å
706G81.9Confident85.2Confident32 Ų3249.4 Ų49.433%0.3329%0.29SS..  trans7016.7-170.700000113.3N702 L708N702-G706 WeakPolarHBondContact O-CA 3.46Å; N702-G706 PolarHBondContact O-N 3.36Å; G706-L708 PolarHBondContact O-N 3.35Å
707A85.7Confident84.2Confident36 Ų3657.4 Ų57.430%0.29833%0.333SS..  trans-62.3131.5177.100000110.5G624 G701 N702 T705G624-A707 WeakPolarHBondContact O-CA 3.17Å; G701-A707 PolarHBondContact N-O 2.79Å; N702-A707 HydrophobicContact CB-CB 4.38Å; N702-A707 PolarHBondContact N-O 3Å; T705-A707 PolarHBondContact O-N 2.86Å; T705-A707 WeakPolarHBondContact OG1-CB 3.27Å; T705-A707 PolarHBondContact OG1-N 2.77Å
708L89.9Confident83.1Confident25 Ų2559.4 Ų59.413%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-101.5150.6178.7-59.5-179.7000110.4R623 G624 L625 L698 K699 G706R623-L708 VanDerWaalsContact O-CD1 3.27Å; R623-L708 WeakPolarHBondContact O-CD1 3.03Å; G624-L708 PolarHBondContact O-N 3.04Å; L625-L708 HydrophobicContact CB-CB 4.23Å; L625-L708 HydrophobicContact CD1-CB 4.07Å; L625-L708 WeakPolarHBondContact CD1-O 3.36Å; L698-L708 HydrophobicContact CB-CD1 4.42Å; L698-L708 HydrophobicContact CD1-CD1 4.28Å; K699-L708 WeakPolarHBondContact O-CA 3.28Å; G706-L708 PolarHBondContact O-N 3.35Å
709Y91.7Very high81.8Confident39 Ų3964 Ų6415%0.15338%0.375CS..EExtended strand (participates in β ladder)trans-127.6162.9167.174.2-83.9000110.1P630 E632 K699 D711P630-Y709 WeakPolarHBondContact O-CB 3.47Å; E632-Y709 HydrophobicContact CB-CD2 4.22Å; E632-Y709 HydrophobicContact CB-CE2 4.16Å; E632-Y709 HydrophobicContact CG-CD2 4.16Å; E632-Y709 HydrophobicContact CG-CE2 4.43Å; K699-Y709 HydrophobicContact CB-CD1 4.14Å; K699-Y709 HydrophobicContact CB-CE1 3.48Å; K699-Y709 VanDerWaalsContact CB-CE1 3.48Å; K699-Y709 HydrophobicContact CB-CE2 4.22Å; K699-Y709 WeakPolarHBondContact CD-OH 3.45Å; K699-Y709 PolarHBondContact N-O 3.06Å; K699-Y709 VanDerWaalsContact N-O 3.12Å; K699-Y709 VanDerWaalsContact O-CD1 3.31Å; K699-Y709 WeakPolarHBondContact O-CD1 3.42Å; K699-Y709 PolarHBondContact O-N 2.92Å; Y709-D711 HydrophobicContact CD2-CB 4.4Å; Y709-D711 HydrophobicContact CE2-CB 3.77Å
710V93.6Very high80.5Confident0 Ų064.2 Ų64.20%039%0.391CS..EExtended strand (participates in β ladder)trans-93.1117.4177178.70000108.5M616 F618 L625 P630 V631 E632 V641 L698M616-V710 HydrophobicContact CE-CG1 3.78Å; M616-V710 HydrophobicContact SD-CG1 3.62Å; F618-V710 HydrophobicContact CZ-CG1 4.42Å; F618-V710 HydrophobicContact CZ-CG2 4.45Å; L625-V710 HydrophobicContact CD1-CG2 4.18Å; L625-V710 HydrophobicContact CD2-CG2 4.39Å; P630-V710 PolarHBondContact O-N 2.87Å; P630-V710 VanDerWaalsContact O-N 3.12Å; V631-V710 CarbonylContact C-O 3.54Å; V631-V710 WeakPolarHBondContact CA-O 3.45Å; V631-V710 HydrophobicContact CB-CB 4.47Å; V631-V710 HydrophobicContact CG1-CB 4.3Å; V631-V710 HydrophobicContact CG1-CG1 4.15Å; V631-V710 HydrophobicContact CG2-CB 4.12Å; E632-V710 PolarHBondContact N-O 2.75Å; V641-V710 HydrophobicContact CG2-CG2 3.7Å; L698-V710 HydrophobicContact CD2-CG2 4.12Å
711D93.2Very high79.5Confident3 Ų363.7 Ų63.72%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-99.3122.2175.1178.677.8000109.5E632 G696 S697 K699 Y709 Y715E632-D711 CarbonylContact O-C 3.44Å; G696-D711 CarbonylContact C-O 3.6Å; G696-D711 WeakPolarHBondContact CA-O 3.32Å; S697-D711 PolarHBondContact N-O 2.92Å; S697-D711 PolarHBondContact O-N 2.93Å; K699-D711 HydrophobicContact CB-CB 4.41Å; K699-D711 HydrophobicContact CD-CB 3.68Å; K699-D711 WeakPolarHBondContact CE-OD2 3.41Å; K699-D711 HydrophobicContact CG-CB 3.97Å; K699-D711 IonicContact NZ-OD1 2.88Å; K699-D711 PolarHBondContact NZ-OD1 3.33Å; K699-D711 IonicContact NZ-OD2 3.45Å; K699-D711 PolarHBondContact NZ-OD2 3.37Å; Y709-D711 HydrophobicContact CD2-CB 4.4Å; Y709-D711 HydrophobicContact CE2-CB 3.77Å; D711-Y715 PolarHBondContact OD2-OH 3.21Å
712L90.8Very high78.2Confident1 Ų168 Ų681%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-98.6116.7170.7-69.3171.9000107.8M616 V631 E632 F633 L638 I667 L694 R695 I733M616-L712 HydrophobicContact CE-CD2 3.82Å; V631-L712 HydrophobicContact CG1-CD1 3.55Å; V631-L712 HydrophobicContact CG1-CG 4Å; E632-L712 PolarHBondContact O-N 2.78Å; F633-L712 WeakPolarHBondContact CA-O 2.94Å; F633-L712 HydrophobicContact CB-CB 4.43Å; F633-L712 HydrophobicContact CD2-CB 4.32Å; F633-L712 WeakPolarHBondContact CD2-O 3.26Å; L638-L712 HydrophobicContact CD1-CD1 4.28Å; I667-L712 HydrophobicContact CD1-CD1 4.26Å; L694-L712 HydrophobicContact CD1-CB 4.26Å; R695-L712 WeakPolarHBondContact O-CA 3.43Å; L712-I733 HydrophobicContact CD2-CD1 4.29Å; L712-I733 HydrophobicContact CD2-CG2 3.91Å
713D90.1Very high77.4Confident35 Ų3568.8 Ų68.819%0.18742%0.42CS..EExtended strand (participates in β ladder)trans-150.3174.6174.9-152.9-8.1000110.9R634 R695 Y715R634-D713 IonicContact CZ-OD1 3.49Å; R634-D713 IonicContact NE-OD1 3.58Å; R634-D713 PolarHBondContact NE-OD1 3.05Å; R634-D713 IonicContact NH2-OD1 3.9Å; R695-D713 PolarHBondContact N-O 3.26Å; R695-D713 PolarHBondContact O-N 2.97Å; R695-D713 VanDerWaalsContact O-N 3.14Å; D713-Y715 HydrophobicContact CB-CE2 4.11Å; D713-Y715 WeakPolarHBondContact O-CD2 3.5Å
714F86.4Confident76.4Confident59 Ų5966.9 Ų66.926%0.25941%0.409SS..EExtended strand (participates in β ladder)trans-91.8119.2176.6-68.9-79.6000110.7F633 L689 R692 L694F633-F714 AromaticContact CE2-CD2 3.97Å; F633-F714 HydrophobicContact CE2-CD2 3.97Å; F633-F714 AromaticContact CE2-CE2 3.64Å; F633-F714 HydrophobicContact CE2-CE2 3.64Å; F633-F714 HydrophobicContact CZ-CD2 4.17Å; F633-F714 AromaticContact CZ-CE2 3.76Å; F633-F714 HydrophobicContact CZ-CE2 3.76Å; L689-F714 HydrophobicContact CB-CZ 4.11Å; L689-F714 HydrophobicContact CD2-CE2 4.38Å; L689-F714 HydrophobicContact CD2-CZ 3.63Å; L689-F714 HydrophobicContact CG-CZ 4.4Å; R692-F714 HydrophobicContact CB-CE1 3.92Å; R692-F714 WeakPolarHBondContact O-CD1 3.48Å; L694-F714 HydrophobicContact CB-CE1 4.03Å; L694-F714 HydrophobicContact CB-CZ 4.32Å; L694-F714 HydrophobicContact CD1-CE1 4.45Å; L694-F714 HydrophobicContact CD1-CE2 4.14Å; L694-F714 HydrophobicContact CD1-CZ 4.07Å
715Y78.6Confident75.9Confident64 Ų6468.5 Ų68.525%0.25140%0.401SS..  trans-107.2115.4179.8-70-95.4000110.9R695 S697 D711 D713 T718 V736R695-Y715 HydrophobicContact CB-CD2 3.82Å; R695-Y715 HydrophobicContact CB-CE2 4.29Å; R695-Y715 HydrophobicContact CG-CD2 4.4Å; S697-Y715 VanDerWaalsContact CB-OH 3.28Å; S697-Y715 WeakPolarHBondContact CB-OH 3.47Å; S697-Y715 PolarHBondContact OG-OH 3.18Å; D711-Y715 PolarHBondContact OD2-OH 3.21Å; D713-Y715 HydrophobicContact CB-CE2 4.11Å; D713-Y715 WeakPolarHBondContact O-CD2 3.5Å; Y715-T718 PolarHBondContact O-OG1 2.76Å; Y715-V736 HydrophobicContact CD1-CG2 4.05Å; Y715-V736 HydrophobicContact CD2-CG2 3.76Å; Y715-V736 HydrophobicContact CE1-CG2 3.94Å; Y715-V736 HydrophobicContact CE2-CG2 3.63Å; Y715-V736 HydrophobicContact CG-CG2 3.95Å
716P69.3Low75.7Confident111 Ų11169.5 Ų69.572%0.72140%0.399SS*.THydrogen-bonded Turntrans-64.4147.2176.126.2-31.8000110.8T718P716-T718 PolarHBondContact O-N 3.1Å
717N68.7Low75.3Confident169 Ų16969.6 Ų69.690%0.90439%0.39SS*.THydrogen-bonded Turntrans66.126.8177.1-52-35000116.4
718T68Low74.6Confident42 Ų4271 Ų7126%0.25839%0.393SS..PPolyproline II helixtrans-86.5143.3171.152.20000111.3Y715 P716 V736Y715-T718 PolarHBondContact O-OG1 2.76Å; P716-T718 PolarHBondContact O-N 3.1Å; T718-V736 HydrophobicContact CG2-CG1 3.76Å
719P65.8Low74Confident109 Ų10972.4 Ų72.471%0.70841%0.413SS*.PPolyproline II helixtrans-55.4145.8175.1-23.832.6000111.8R695R695-P719 PolarHBondContact NH2-O 3.19Å; R695-P719 VanDerWaalsContact NH2-O 3.11Å
720A62.6Low73.7Confident79 Ų7973.6 Ų73.665%0.65342%0.418SS*.PPolyproline II helixtrans-56.2147.4170.600000110T722A720-T722 PolarHBondContact O-N 3Å
721I64.4Low73.3Confident59 Ų5977.7 Ų77.730%0.30344%0.437SS..  trans-66.5100.7-178.8-55.2175.6000108.8L690 P734L690-I721 HydrophobicContact CB-CD1 4.32Å; L690-I721 WeakPolarHBondContact O-CD1 3.44Å; I721-P734 HydrophobicContact CD1-CG 3.82Å; I721-P734 HydrophobicContact CG1-CG 4.01Å
722T54.5Low73Confident134 Ų13479 Ų7982%0.82244%0.444SS*.  trans-110.9100171.351.50000108A720A720-T722 PolarHBondContact O-N 3Å
723G58.2Low72.9Confident55 Ų5578.9 Ų78.957%0.56744%0.443SS*.SBendtrans157.7-178.4177.900000114.8R725G723-R725 PolarHBondContact O-N 3.42Å
724I57.1Low72.8Confident123 Ų12378.7 Ų78.763%0.63144%0.444SS*.  trans-54.2120.2-179.6-58.9170.2000109.6E726 I732I724-E726 WeakPolarHBondContact CG2-O 3.37Å; I724-I732 HydrophobicContact CB-CD1 4.44Å; I724-I732 HydrophobicContact CG2-CD1 4.04Å; I724-I732 WeakPolarHBondContact O-CD1 3.41Å
725R65.9Low72.9Confident168 Ų16877.1 Ų77.163%0.63444%0.439SS*.SBendtrans-88.9-14.9178.5-69.4-171.4178.3176.62.4113.4G723 Q731 I732G723-R725 PolarHBondContact O-N 3.42Å; R725-Q731 WeakPolarHBondContact O-CA 3.38Å; R725-I732 PolarHBondContact O-N 3.39Å
726E73.4Confident73.4Confident117 Ų11775.3 Ų75.355%0.54744%0.435SS..EExtended strand (participates in β ladder)trans-146.2134.9-174.4-167.4-175.8156.300110.5I724 G729 Y730I724-E726 WeakPolarHBondContact CG2-O 3.37Å; E726-G729 VanDerWaalsContact OE1-CA 3.28Å; E726-G729 WeakPolarHBondContact OE1-CA 3.23Å; E726-Y730 CarbonylContact C-O 3.47Å; E726-Y730 VanDerWaalsContact CA-O 3.28Å; E726-Y730 WeakPolarHBondContact CA-O 3.43Å
727F72.5Confident73.9Confident33 Ų3371.3 Ų71.315%0.14541%0.409CS..EExtended strand (participates in β ladder)trans-137.2123.3177.5-177.7-91000110.3L615 F617 M651 G729 Y730 I732L615-F727 HydrophobicContact CD2-CB 4.1Å; L615-F727 HydrophobicContact CD2-CD1 3.75Å; L615-F727 HydrophobicContact CD2-CG 4.31Å; F617-F727 HydrophobicContact CZ-CD1 4.31Å; F617-F727 HydrophobicContact CZ-CG 4.4Å; M651-F727 HydrophobicContact CB-CE1 4.33Å; M651-F727 HydrophobicContact CB-CZ 4.25Å; M651-F727 HydrophobicContact CE-CD1 4.17Å; M651-F727 HydrophobicContact CE-CE1 3.5Å; M651-F727 HydrophobicContact CE-CZ 4.45Å; M651-F727 HydrophobicContact CG-CE1 3.87Å; M651-F727 HydrophobicContact CG-CZ 3.86Å; M651-F727 HydrophobicContact SD-CE1 4.43Å; F727-G729 PolarHBondContact O-N 3.5Å; F727-Y730 PolarHBondContact N-O 2.74Å; F727-Y730 PolarHBondContact O-N 2.85Å; F727-Y730 VanDerWaalsContact O-N 3.07Å; F727-I732 HydrophobicContact CB-CD1 3.8Å; F727-I732 HydrophobicContact CB-CG1 4.33Å
728N71.3Confident74.2Confident66 Ų6663.5 Ų63.535%0.35337%0.369SS..THydrogen-bonded Turntrans49.540-174.4-73.4-37.2000113.8A648 N650 Y730A648-N728 VanDerWaalsContact CB-ND2 3.27Å; A648-N728 WeakPolarHBondContact CB-ND2 3.44Å; N650-N728 PolarHBondContact ND2-OD1 3.48Å; N728-Y730 VanDerWaalsContact C-N 3.31Å; N728-Y730 WeakPolarHBondContact O-CD2 3.24Å; N728-Y730 PolarHBondContact O-N 2.93Å
729G78.1Confident74.3Confident55 Ų5563.7 Ų63.757%0.56738%0.379SS*.THydrogen-bonded Turntrans85.7-6.8179.500000115.2E726 F727E726-G729 VanDerWaalsContact OE1-CA 3.28Å; E726-G729 WeakPolarHBondContact OE1-CA 3.23Å; F727-G729 PolarHBondContact O-N 3.5Å
730Y84.6Confident74.6Confident63 Ų6364.9 Ų64.925%0.24738%0.379CS..EExtended strand (participates in β ladder)trans-100.6131.7180-59.7-75.1000111.1D613 F646 L664 E726 F727 N728D613-Y730 HydrophobicContact CB-CD1 3.56Å; D613-Y730 HydrophobicContact CB-CE1 3.48Å; D613-Y730 VanDerWaalsContact CB-CE1 3.48Å; F646-Y730 HydrophobicContact CE1-CD2 4.15Å; F646-Y730 AromaticContact CE1-CE2 3.97Å; F646-Y730 HydrophobicContact CE1-CE2 3.97Å; F646-Y730 HydrophobicContact CZ-CD2 4.32Å; F646-Y730 AromaticContact CZ-CE2 3.67Å; F646-Y730 HydrophobicContact CZ-CE2 3.67Å; L664-Y730 HydrophobicContact CD1-CD1 3.83Å; L664-Y730 HydrophobicContact CD1-CD2 4.31Å; L664-Y730 HydrophobicContact CD1-CE1 3.86Å; L664-Y730 HydrophobicContact CD1-CE2 4.34Å; L664-Y730 HydrophobicContact CD1-CG 4.04Å; E726-Y730 CarbonylContact C-O 3.47Å; E726-Y730 VanDerWaalsContact CA-O 3.28Å; E726-Y730 WeakPolarHBondContact CA-O 3.43Å; F727-Y730 PolarHBondContact N-O 2.74Å; F727-Y730 PolarHBondContact O-N 2.85Å; F727-Y730 VanDerWaalsContact O-N 3.07Å; N728-Y730 VanDerWaalsContact C-N 3.31Å; N728-Y730 WeakPolarHBondContact O-CD2 3.24Å; N728-Y730 PolarHBondContact O-N 2.93Å
731Q86.2Confident74.8Confident86 Ų8663.4 Ų63.440%0.40237%0.366SS..EExtended strand (participates in β ladder)trans-69.9139.8173-68.2-170.96.800110.8Y614 L615 R725Y614-Q731 WeakPolarHBondContact CA-O 3.42Å; Y614-Q731 HydrophobicContact CD1-CB 3.59Å; Y614-Q731 WeakPolarHBondContact CD1-O 3.36Å; Y614-Q731 HydrophobicContact CE1-CB 3.59Å; Y614-Q731 HydrophobicContact CE1-CG 4.43Å; L615-Q731 PolarHBondContact N-O 2.94Å; R725-Q731 WeakPolarHBondContact O-CA 3.38Å
732I87.1Confident75.1Confident30 Ų3065.2 Ų65.215%0.15437%0.374CS..EExtended strand (participates in β ladder)trans-96126.7-176.4-63.8164.7000111L615 F617 I724 R725 F727L615-I732 HydrophobicContact CB-CG1 4.4Å; L615-I732 CarbonylContact O-C 3.59Å; L615-I732 VanDerWaalsContact O-CA 3.24Å; L615-I732 WeakPolarHBondContact O-CA 3.23Å; F617-I732 HydrophobicContact CD2-CD1 4.38Å; F617-I732 HydrophobicContact CD2-CG2 4.15Å; F617-I732 HydrophobicContact CE2-CD1 3.78Å; F617-I732 HydrophobicContact CE2-CG1 4.08Å; I724-I732 HydrophobicContact CB-CD1 4.44Å; I724-I732 HydrophobicContact CG2-CD1 4.04Å; I724-I732 WeakPolarHBondContact O-CD1 3.41Å; R725-I732 PolarHBondContact O-N 3.39Å; F727-I732 HydrophobicContact CB-CD1 3.8Å; F727-I732 HydrophobicContact CB-CG1 4.33Å
733I88.4Confident75.9Confident0 Ų064.2 Ų64.20%036%0.362CS..EExtended strand (participates in β ladder)trans-94119.3165.6-58.9-178000108.8Y614 L615 M616 I665 L686 L690 L712Y614-I733 HydrophobicContact CD1-CD1 4.01Å; Y614-I733 HydrophobicContact CD1-CG1 3.77Å; Y614-I733 HydrophobicContact CG-CD1 3.93Å; Y614-I733 HydrophobicContact CG-CG1 4.11Å; L615-I733 PolarHBondContact O-N 2.78Å; M616-I733 HydrophobicContact CE-CB 3.97Å; M616-I733 HydrophobicContact CE-CG2 3.63Å; M616-I733 HydrophobicContact CG-CB 4.08Å; I665-I733 HydrophobicContact CD1-CD1 3.83Å; L686-I733 HydrophobicContact CD2-CD1 4.08Å; L690-I733 HydrophobicContact CD2-CB 4.26Å; L690-I733 HydrophobicContact CD2-CG1 4.07Å; L690-I733 HydrophobicContact CD2-CG2 3.84Å; L712-I733 HydrophobicContact CD2-CD1 4.29Å; L712-I733 HydrophobicContact CD2-CG2 3.91Å
734P88.1Confident76.7Confident30 Ų3067.1 Ų67.120%0.19536%0.361CS..PPolyproline II helixtrans-68.4143.6179.519.9-20.9000111.6R695 G696 I721R695-P734 VanDerWaalsContact CA-O 3.31Å; R695-P734 WeakPolarHBondContact CA-O 3.33Å; R695-P734 WeakPolarHBondContact CD-O 3.44Å; G696-P734 PolarHBondContact N-O 3.38Å; I721-P734 HydrophobicContact CD1-CG 3.82Å; I721-P734 HydrophobicContact CG1-CG 4.01Å
735T89.3Confident77.6Confident27 Ų2767.1 Ų67.117%0.16636%0.358CS..BIsolated β-bridgetrans-111.1149.8-175.4620000112.4M616 F617 F618 G696M616-T735 HydrophobicContact CB-CG2 3.88Å; M616-T735 HydrophobicContact CE-CG2 4.33Å; F617-T735 PolarHBondContact O-OG1 3.15Å; F618-T735 HydrophobicContact CD1-CG2 3.7Å; F618-T735 HydrophobicContact CD2-CG2 4.3Å; F618-T735 HydrophobicContact CE1-CG2 3.48Å; F618-T735 VanDerWaalsContact CE1-CG2 3.48Å; F618-T735 HydrophobicContact CE2-CG2 4.13Å; F618-T735 HydrophobicContact CG-CG2 4.11Å; F618-T735 HydrophobicContact CZ-CG2 3.72Å; G696-T735 CarbonylContact O-C 3.57Å; G696-T735 WeakPolarHBondContact O-CA 3.45Å
736V87.8Confident78.2Confident26 Ų2666.7 Ų66.716%0.15836%0.357CS..  trans-116.7156.1168.9-68.30000110R695 G696 Y715 T718R695-V736 HydrophobicContact CB-CG1 3.98Å; R695-V736 HydrophobicContact CB-CG2 4.05Å; R695-V736 HydrophobicContact CG-CG1 3.91Å; G696-V736 PolarHBondContact O-N 3.13Å; Y715-V736 HydrophobicContact CD1-CG2 4.05Å; Y715-V736 HydrophobicContact CD2-CG2 3.76Å; Y715-V736 HydrophobicContact CE1-CG2 3.94Å; Y715-V736 HydrophobicContact CE2-CG2 3.63Å; Y715-V736 HydrophobicContact CG-CG2 3.95Å; T718-V736 HydrophobicContact CG2-CG1 3.76Å
737S81.2Confident78.4Confident26 Ų2666.1 Ų66.118%0.18236%0.357CS..  trans-69.9144.7176.2-700000111.4K619 D620K619-S737 WeakPolarHBondContact CE-OG 3.32Å; K619-S737 PolarHBondContact NZ-OG 2.93Å; D620-S737 VanDerWaalsContact OD1-CB 3.3Å; D620-S737 WeakPolarHBondContact OD1-CB 3.48Å; D620-S737 PolarHBondContact OD1-OG 3.32Å; D620-S737 WeakPolarHBondContact OD2-CA 3.19Å; D620-S737 WeakPolarHBondContact OD2-CB 3.22Å
738G74.6Confident78.7Confident6 Ų670 Ų706%0.06238%0.376CS..  trans-63.8148.4-179.500000113.5D620 L740 A741 Q742D620-G738 PolarHBondContact OD2-N 2.89Å; G738-L740 VanDerWaalsContact C-N 3.34Å; G738-L740 PolarHBondContact O-N 2.88Å; G738-A741 PolarHBondContact O-N 3.38Å; G738-Q742 PolarHBondContact O-N 2.89Å; G738-Q742 VanDerWaalsContact O-N 3.16Å
739G70Confident79.3Confident45 Ų4572 Ų7246%0.46438%0.384SS..Hα-helixtrans-59.3-37-173.800000114.5Q742 I743G739-Q742 PolarHBondContact O-N 2.97Å; G739-I743 VanDerWaalsContact O-CG1 3.26Å; G739-I743 WeakPolarHBondContact O-CG1 3.29Å; G739-I743 PolarHBondContact O-N 3.26Å
740L70.7Confident79.3Confident134 Ų13471.6 Ų71.670%0.70238%0.375SS*.Hα-helixtrans-69.2-40.2-179.5-147.197.9000112.3G738 Q742 I743 Q744G738-L740 VanDerWaalsContact C-N 3.34Å; G738-L740 PolarHBondContact O-N 2.88Å; L740-Q742 VanDerWaalsContact C-N 3.27Å; L740-Q742 PolarHBondContact O-N 2.74Å; L740-I743 PolarHBondContact O-N 3.49Å; L740-Q744 PolarHBondContact O-N 3.22Å
741A68.4Low79Confident48 Ų4872.5 Ų72.540%0.39738%0.384SS..Hα-helixtrans-63.1-39.3174.800000110.6G738 Q744 Q745G738-A741 PolarHBondContact O-N 3.38Å; A741-Q744 PolarHBondContact O-N 2.85Å; A741-Q745 WeakPolarHBondContact O-CB 3.3Å; A741-Q745 PolarHBondContact O-N 3.49Å
742Q69.3Low78.7Confident98 Ų9872.6 Ų72.646%0.45839%0.387SS..Hα-helixtrans-68.3-36.6176.2-157.3171.728.900112.4G738 G739 L740 R746G738-Q742 PolarHBondContact O-N 2.89Å; G738-Q742 VanDerWaalsContact O-N 3.16Å; G739-Q742 PolarHBondContact O-N 2.97Å; L740-Q742 VanDerWaalsContact C-N 3.27Å; L740-Q742 PolarHBondContact O-N 2.74Å; Q742-R746 WeakPolarHBondContact O-CB 3.29Å; Q742-R746 VanDerWaalsContact O-CG 3.23Å; Q742-R746 WeakPolarHBondContact O-CG 3.24Å; Q742-R746 PolarHBondContact O-N 2.85Å
743I72.5Confident78.3Confident112 Ų11279.2 Ų79.257%0.57442%0.415SS*.Hα-helixtrans-66.7-47173.9-68.6162.7000110.5G739 L740 Q745 R746 L747G739-I743 VanDerWaalsContact O-CG1 3.26Å; G739-I743 WeakPolarHBondContact O-CG1 3.29Å; G739-I743 PolarHBondContact O-N 3.26Å; L740-I743 PolarHBondContact O-N 3.49Å; I743-Q745 VanDerWaalsContact C-N 3.3Å; I743-Q745 PolarHBondContact O-N 3.36Å; I743-R746 PolarHBondContact O-N 3.36Å; I743-L747 VanDerWaalsContact O-CB 3.26Å; I743-L747 WeakPolarHBondContact O-CB 3.24Å; I743-L747 PolarHBondContact O-N 3.41Å
744Q74.5Confident77.6Confident116 Ų11684 Ų8454%0.54244%0.439SS..Hα-helixtrans-60-42.9178-178.7-179.2-29.100111.2L740 A741 L747 M748L740-Q744 PolarHBondContact O-N 3.22Å; A741-Q744 PolarHBondContact O-N 2.85Å; Q744-L747 PolarHBondContact O-N 2.9Å; Q744-M748 HydrophobicContact CG-CG 4.49Å; Q744-M748 WeakPolarHBondContact O-CB 3.35Å; Q744-M748 VanDerWaalsContact O-CG 3.25Å; Q744-M748 WeakPolarHBondContact O-CG 3.37Å; Q744-M748 PolarHBondContact O-N 3.28Å
745Q76.7Confident77Confident123 Ų12388.6 Ų88.658%0.57546%0.462SS*.Hα-helixtrans-66.6-43.4178.4-171156.8-5.900111.6A741 I743 L747 M748 E749A741-Q745 WeakPolarHBondContact O-CB 3.3Å; A741-Q745 PolarHBondContact O-N 3.49Å; I743-Q745 VanDerWaalsContact C-N 3.3Å; I743-Q745 PolarHBondContact O-N 3.36Å; Q745-L747 VanDerWaalsContact C-N 3.32Å; Q745-L747 PolarHBondContact O-N 3.03Å; Q745-M748 PolarHBondContact O-N 3.4Å; Q745-E749 WeakPolarHBondContact O-CB 3.48Å; Q745-E749 VanDerWaalsContact O-CG 3.26Å; Q745-E749 WeakPolarHBondContact O-CG 3.27Å; Q745-E749 PolarHBondContact O-N 2.96Å
746R77.7Confident76.4Confident160 Ų16094.9 Ų94.960%0.60449%0.487SS*.Hα-helixtrans-64.9-33.7173.5-73.1179.6-177.7-166.34.5112.9Q742 I743 A750Q742-R746 WeakPolarHBondContact O-CB 3.29Å; Q742-R746 VanDerWaalsContact O-CG 3.23Å; Q742-R746 WeakPolarHBondContact O-CG 3.24Å; Q742-R746 PolarHBondContact O-N 2.85Å; I743-R746 PolarHBondContact O-N 3.36Å; R746-A750 VanDerWaalsContact O-CB 3.23Å; R746-A750 WeakPolarHBondContact O-CB 3.43Å; R746-A750 PolarHBondContact O-N 2.91Å
747L76.9Confident75.7Confident104 Ų10498.7 Ų98.755%0.54551%0.506SS..Hα-helixtrans-70.3-43.5176.3-172.474.7000110.9I743 Q744 Q745 A750 L751I743-L747 VanDerWaalsContact O-CB 3.26Å; I743-L747 WeakPolarHBondContact O-CB 3.24Å; I743-L747 PolarHBondContact O-N 3.41Å; Q744-L747 PolarHBondContact O-N 2.9Å; Q745-L747 VanDerWaalsContact C-N 3.32Å; Q745-L747 PolarHBondContact O-N 3.03Å; L747-A750 PolarHBondContact O-N 3.45Å; L747-L751 HydrophobicContact CD2-CD1 4.43Å; L747-L751 HydrophobicContact CG-CD1 4.02Å; L747-L751 VanDerWaalsContact O-CB 3.29Å; L747-L751 WeakPolarHBondContact O-CB 3.26Å; L747-L751 WeakPolarHBondContact O-CG 3.33Å; L747-L751 PolarHBondContact O-N 2.9Å
748M80.2Confident75.3Confident114 Ų114102.2 Ų102.256%0.56253%0.529SS*.Hα-helixtrans-62-45.8173.3-73.4-102.9-168.800110.8Q744 Q745 A750 L751 D752Q744-M748 HydrophobicContact CG-CG 4.49Å; Q744-M748 WeakPolarHBondContact O-CB 3.35Å; Q744-M748 VanDerWaalsContact O-CG 3.25Å; Q744-M748 WeakPolarHBondContact O-CG 3.37Å; Q744-M748 PolarHBondContact O-N 3.28Å; Q745-M748 PolarHBondContact O-N 3.4Å; M748-A750 VanDerWaalsContact C-N 3.32Å; M748-A750 PolarHBondContact O-N 3.45Å; M748-L751 PolarHBondContact O-N 3.23Å; M748-D752 WeakPolarHBondContact O-CB 3.36Å; M748-D752 PolarHBondContact O-N 3.34Å
749E82.3Confident74.8Confident110 Ų110107.3 Ų107.351%0.51455%0.554SS.*Hα-helixtrans-61.3-39.1175.2-74.9170.1-169.500111.9Q745 K753Q745-E749 WeakPolarHBondContact O-CB 3.48Å; Q745-E749 VanDerWaalsContact O-CG 3.26Å; Q745-E749 WeakPolarHBondContact O-CG 3.27Å; Q745-E749 PolarHBondContact O-N 2.96Å; E749-K753 WeakPolarHBondContact O-CB 3.4Å; E749-K753 PolarHBondContact O-N 2.75Å; E749-K753 VanDerWaalsContact O-N 3.07Å
750A79.5Confident74.7Confident46 Ų46111.6 Ų111.638%0.3857%0.566SS.*Hα-helixtrans-70.2-42.4175.600000112.5R746 L747 M748 K753 I754R746-A750 VanDerWaalsContact O-CB 3.23Å; R746-A750 WeakPolarHBondContact O-CB 3.43Å; R746-A750 PolarHBondContact O-N 2.91Å; L747-A750 PolarHBondContact O-N 3.45Å; M748-A750 VanDerWaalsContact C-N 3.32Å; M748-A750 PolarHBondContact O-N 3.45Å; A750-K753 CarbonylContact O-C 3.58Å; A750-K753 WeakPolarHBondContact O-CA 3.44Å; A750-K753 WeakPolarHBondContact O-CB 3.28Å; A750-K753 PolarHBondContact O-N 2.74Å; A750-K753 VanDerWaalsContact O-N 3.15Å; A750-I754 WeakPolarHBondContact O-CG1 3.43Å; A750-I754 PolarHBondContact O-N 3.44Å
751L78.5Confident74.4Confident82 Ų82108.9 Ų108.943%0.42956%0.556SS.*Hα-helixtrans-62.5-42.6174.7-85.1160.8000111.2L747 M748 K753 I754 N755L747-L751 HydrophobicContact CD2-CD1 4.43Å; L747-L751 HydrophobicContact CG-CD1 4.02Å; L747-L751 VanDerWaalsContact O-CB 3.29Å; L747-L751 WeakPolarHBondContact O-CB 3.26Å; L747-L751 WeakPolarHBondContact O-CG 3.33Å; L747-L751 PolarHBondContact O-N 2.9Å; M748-L751 PolarHBondContact O-N 3.23Å; L751-K753 PolarHBondContact O-N 2.6Å; L751-I754 PolarHBondContact O-N 2.66Å; L751-I754 VanDerWaalsContact O-N 3.12Å; L751-N755 WeakPolarHBondContact O-CB 3.11Å; L751-N755 PolarHBondContact O-N 2.74Å
752D80Confident73.9Confident88 Ų88113.2 Ų113.247%0.47157%0.57SS.*Hα-helixtrans-61.6-36.1173.4-103.610.7000111.6M748 K756M748-D752 WeakPolarHBondContact O-CB 3.36Å; M748-D752 PolarHBondContact O-N 3.34Å; D752-K756 WeakPolarHBondContact O-CB 3.42Å; D752-K756 WeakPolarHBondContact O-CD 3.44Å; D752-K756 VanDerWaalsContact O-CG 3.24Å; D752-K756 WeakPolarHBondContact O-CG 3.25Å; D752-K756 PolarHBondContact O-N 2.76Å
753K77Confident73.7Confident168 Ų168113.7 Ų113.773%0.7358%0.575SS**Hα-helixtrans-69-36.8174.6-140.9172.1-173.5177.20111.9E749 A750 L751 K756E749-K753 WeakPolarHBondContact O-CB 3.4Å; E749-K753 PolarHBondContact O-N 2.75Å; E749-K753 VanDerWaalsContact O-N 3.07Å; A750-K753 CarbonylContact O-C 3.58Å; A750-K753 WeakPolarHBondContact O-CA 3.44Å; A750-K753 WeakPolarHBondContact O-CB 3.28Å; A750-K753 PolarHBondContact O-N 2.74Å; A750-K753 VanDerWaalsContact O-N 3.15Å; L751-K753 PolarHBondContact O-N 2.6Å; K753-K756 PolarHBondContact O-N 3.15Å
754I74.6Confident73.2Confident101 Ų101115.9 Ų115.952%0.51858%0.582SS.*Hα-helixtrans-69.6-44.9175.6-71.3168.6000111.2A750 L751 K756 L757A750-I754 WeakPolarHBondContact O-CG1 3.43Å; A750-I754 PolarHBondContact O-N 3.44Å; L751-I754 PolarHBondContact O-N 2.66Å; L751-I754 VanDerWaalsContact O-N 3.12Å; I754-K756 PolarHBondContact O-N 2.7Å; I754-L757 HydrophobicContact CG1-CD1 4.5Å; I754-L757 WeakPolarHBondContact O-CB 3.21Å; I754-L757 PolarHBondContact O-N 3Å
755N74.8Confident72.6Confident126 Ų126117.4 Ų117.467%0.67459%0.589SS**Hα-helixtrans-63.3-22.2177.7-74.8-22.2000112.6L751L751-N755 WeakPolarHBondContact O-CB 3.11Å; L751-N755 PolarHBondContact O-N 2.74Å
756K78.1Confident71.7Confident159 Ų159113.8 Ų113.869%0.69158%0.581SS**THydrogen-bonded Turntrans-92.16.4175.6-69.9170.8-174.8165.60113.7D752 K753 I754D752-K756 WeakPolarHBondContact O-CB 3.42Å; D752-K756 WeakPolarHBondContact O-CD 3.44Å; D752-K756 VanDerWaalsContact O-CG 3.24Å; D752-K756 WeakPolarHBondContact O-CG 3.25Å; D752-K756 PolarHBondContact O-N 2.76Å; K753-K756 PolarHBondContact O-N 3.15Å; I754-K756 PolarHBondContact O-N 2.7Å
757L71.4Confident71Confident107 Ų107110.9 Ų110.956%0.5658%0.581SS**SBendtrans-72.6128.5174.3-84158.9000111.1I754 L759I754-L757 HydrophobicContact CG1-CD1 4.5Å; I754-L757 WeakPolarHBondContact O-CB 3.21Å; I754-L757 PolarHBondContact O-N 3Å; L757-L759 PolarHBondContact O-N 3.03Å
758P73.3Confident70Confident100 Ų100109.7 Ų109.765%0.64958%0.581SS**  trans-73.298.7174.929-32.4000110.4P761P758-P761 WeakPolarHBondContact O-CD 3.5Å
759L64.9Low69.1Low113 Ų113109 Ų10959%0.59258%0.584SS**  trans-76.7-21.8-179.9-74.1167.4000114.3L757 M762 I763L757-L759 PolarHBondContact O-N 3.03Å; L759-M762 PolarHBondContact O-N 3.35Å; L759-I763 PolarHBondContact O-N 3.44Å
760N66.8Low68Low135 Ų135109.7 Ų109.772%0.72259%0.59SS**Hα-helixtrans-52.7-46.4-176.4-70.9-10.4000114.4M762 I763N760-M762 VanDerWaalsContact C-N 3.29Å; N760-M762 PolarHBondContact O-N 2.84Å; N760-I763 PolarHBondContact O-N 3.21Å
761P65.2Low67Low76 Ų76111.4 Ų111.449%0.49460%0.6SS.*Hα-helixtrans-68.6-19.9178.523.8-33000114.7P758P758-P761 WeakPolarHBondContact O-CD 3.5Å
762M58.9Low66.1Low139 Ų139113.3 Ų113.369%0.68561%0.606SS**Hα-helixtrans-79.5-30177.7-88.4-173.1169.800113.3L759 N760 Q765 A766L759-M762 PolarHBondContact O-N 3.35Å; N760-M762 VanDerWaalsContact C-N 3.29Å; N760-M762 PolarHBondContact O-N 2.84Å; M762-Q765 PolarHBondContact O-N 2.98Å; M762-A766 PolarHBondContact O-N 3.04Å
763I63.9Low64.9Low109 Ų109112.9 Ų112.956%0.55961%0.61SS**Hα-helixtrans-71.6-35.4-176.8-64.9175.9000111.4L759 N760 Q765 A766 T767L759-I763 PolarHBondContact O-N 3.44Å; N760-I763 PolarHBondContact O-N 3.21Å; I763-Q765 VanDerWaalsContact C-N 3.29Å; I763-Q765 PolarHBondContact O-N 3.42Å; I763-A766 PolarHBondContact O-N 2.97Å; I763-T767 PolarHBondContact O-N 2.78Å; I763-T767 PolarHBondContact O-OG1 3.47Å
764E61.6Low64.2Low157 Ų157113.1 Ų113.173%0.73461%0.614SS**Hα-helixtrans-66.3-27.7176.8-79.3-178.8155.800113.5T767E764-T767 PolarHBondContact O-OG1 2.78Å
765Q61.6Low63.4Low148 Ų148117.6 Ų117.669%0.69262%0.624SS**Hα-helixtrans-86.8-21.9176.8-99.3168.3-25.300113.8M762 I763 S768 T769M762-Q765 PolarHBondContact O-N 2.98Å; I763-Q765 VanDerWaalsContact C-N 3.29Å; I763-Q765 PolarHBondContact O-N 3.42Å; Q765-S768 PolarHBondContact O-OG 2.83Å; Q765-T769 PolarHBondContact O-OG1 2.74Å
766A58.9Low62.7Low47 Ų47116.8 Ų116.839%0.38862%0.624SS.*Hα-helixtrans-76.1-36.4178.400000112.8M762 I763 S768 T769 L770M762-A766 PolarHBondContact O-N 3.04Å; I763-A766 PolarHBondContact O-N 2.97Å; A766-S768 VanDerWaalsContact C-N 3.26Å; A766-S768 PolarHBondContact O-N 2.94Å; A766-T769 PolarHBondContact O-N 3.45Å; A766-T769 VanDerWaalsContact O-N 3.14Å; A766-L770 PolarHBondContact O-N 3.36Å
767T63.2Low61.6Low99 Ų99116.6 Ų116.661%0.60763%0.628SS**Hα-helixtrans-64-29.1179.840.40000113.2I763 E764I763-T767 PolarHBondContact O-N 2.78Å; I763-T767 PolarHBondContact O-OG1 3.47Å; E764-T767 PolarHBondContact O-OG1 2.78Å
768S55.8Low61.1Low80 Ų80120.4 Ų120.456%0.55964%0.64SS**Hα-helixtrans-76.1-19.7175.959.90000114Q765 A766 S771Q765-S768 PolarHBondContact O-OG 2.83Å; A766-S768 VanDerWaalsContact C-N 3.26Å; A766-S768 PolarHBondContact O-N 2.94Å; S768-S771 PolarHBondContact O-OG 3.27Å
769T61.6Low60.5Low100 Ų100122.2 Ų122.261%0.61364%0.644SS**Hα-helixtrans-91.6-27179.8-49.30000112.5Q765 A766 S771 E772Q765-T769 PolarHBondContact O-OG1 2.74Å; A766-T769 PolarHBondContact O-N 3.45Å; A766-T769 VanDerWaalsContact O-N 3.14Å; T769-S771 VanDerWaalsContact C-N 3.33Å; T769-S771 PolarHBondContact O-N 3.39Å; T769-E772 PolarHBondContact O-N 3.44Å
770L58.4Low60.1Low124 Ų124123.2 Ų123.265%0.64965%0.649SS**Hα-helixtrans-69.5-22.9-178.9-100.3126.2000114.5A766 E772A766-L770 PolarHBondContact O-N 3.36Å; L770-E772 VanDerWaalsContact C-N 3.26Å; L770-E772 PolarHBondContact O-N 2.84Å
771S59.4Low59.9Low82 Ų82124.9 Ų124.957%0.57365%0.652SS**THydrogen-bonded Turntrans-69.1-21.6177.2590000113.5S768 T769S768-S771 PolarHBondContact O-OG 3.27Å; T769-S771 VanDerWaalsContact C-N 3.33Å; T769-S771 PolarHBondContact O-N 3.39Å
772E58.9Low59.5Low121 Ų121126.9 Ų126.957%0.56566%0.663SS**THydrogen-bonded Turntrans-92.7-22.8-176-150.665.6-136.300112.9T769 L770 R775T769-E772 PolarHBondContact O-N 3.44Å; L770-E772 VanDerWaalsContact C-N 3.26Å; L770-E772 PolarHBondContact O-N 2.84Å; E772-R775 IonicContact OE1-NH1 2.94Å; E772-R775 PolarHBondContact OE1-NH1 2.9Å
773S55.6Low59.7Low80 Ų80125.6 Ų125.656%0.55966%0.664SS**G310 helixtrans-79.1-15.8-174.3-176.90000115.7R775S773-R775 PolarHBondContact O-N 3.01Å
774Q60.9Low59.9Low172 Ų172127.3 Ų127.380%0.80467%0.673SS**G310 helixtrans-68.4-15.2-176.5-92.7-178.8-23.700114.3
775R58.2Low60Low195 Ų195126.5 Ų126.574%0.73667%0.674SS**G310 helixtrans-79.2-20.6-175.3-71.2176.4179141-1.3114.6E772 S773E772-R775 IonicContact OE1-NH1 2.94Å; E772-R775 PolarHBondContact OE1-NH1 2.9Å; S773-R775 PolarHBondContact O-N 3.01Å
776T60.6Low59.9Low110 Ų110124 Ų12468%0.67567%0.673SS**THydrogen-bonded Turntrans-94.9-25-166.9-38.80000114.8K778T776-K778 VanDerWaalsContact C-N 3.3Å; T776-K778 PolarHBondContact O-N 3.3Å
777M54.9Low59.6Low155 Ų155129.4 Ų129.476%0.76469%0.692SS**G310 helixtrans-71.6-14.2-173.6-90.6-83.2-86.800115.3N779M777-N779 PolarHBondContact O-N 3.02Å
778K59.8Low59.4Low187 Ų187131.6 Ų131.681%0.81370%0.7SS**G310 helixtrans-76.3-12.4-172.6-121.8178.3-179.1-179.50115.4T776T776-K778 VanDerWaalsContact C-N 3.3Å; T776-K778 PolarHBondContact O-N 3.3Å
779N60.8Low59.5Low137 Ų137136.9 Ų136.973%0.73371%0.713SS**G310 helixtrans-103.5-6.2-170.9-72-12.3000115.9M777M777-N779 PolarHBondContact O-N 3.02Å
780L56.3Low59.3Low134 Ų134139.1 Ų139.170%0.70272%0.719SS**SBendtrans-91.6-11.6-171.9-116160.5000115.1T782L780-T782 PolarHBondContact O-N 2.8Å
781Q62.6Low59.5Low170 Ų170140.9 Ų140.979%0.79473%0.729SS**THydrogen-bonded Turntrans-78.6-19.7-168.7-129.8167.4-4.700114.4
782T58.3Low59.5Low118 Ų118141.3 Ų141.372%0.72474%0.737SS**THydrogen-bonded Turntrans-83.3-12.5-168.2-4.80000115.3L780L780-T782 PolarHBondContact O-N 2.8Å
783T63.2Low59.5Low113 Ų113139.7 Ų139.769%0.69374%0.739SS**SBendtrans-92.7-21.1-170.3-49.90000114.2
784L67.6Low59.5Low144 Ų144144 Ų14475%0.75475%0.751SS**G310 helixtrans-78.6-21.5-171.1-81.3162.3000115.2S786L784-S786 VanDerWaalsContact C-N 3.31Å; L784-S786 PolarHBondContact O-N 2.94Å
785D63.1Low59.3Low140 Ų140141.1 Ų141.175%0.74975%0.749SS**G310 helixtrans-75-11.7-172.2-83.5-20.4000115.3
786S60Low59.2Low96 Ų96139.5 Ų139.567%0.67175%0.752SS**G310 helixtrans-86.8-17.3-170.1-56.20000115.3L784L784-S786 VanDerWaalsContact C-N 3.31Å; L784-S786 PolarHBondContact O-N 2.94Å
787M53.1Low59Low161 Ų161142 Ų14279%0.79376%0.756SS**SBendtrans-90.9-19-173.3-73.4-164.878.200115.6K789M787-K789 VanDerWaalsContact C-N 3.26Å; M787-K789 PolarHBondContact O-N 3.03Å
788N59.2Low59Low144 Ų144141.6 Ų141.677%0.7775%0.752SS**THydrogen-bonded Turntrans-74-6.6-175.3-98.2-22000115.2
789K57.7Low58.6Low191 Ų191140 Ų14083%0.8375%0.752SS**THydrogen-bonded Turntrans-89.8-9.2-171.1-91177.6175.6172.30116.5M787M787-K789 VanDerWaalsContact C-N 3.26Å; M787-K789 PolarHBondContact O-N 3.03Å
790I56.5Low58.6Low147 Ų147138 Ų13875%0.75475%0.746SS**SBendtrans-103.9-19.6-170.2-66.8172.7000113.8A792I790-A792 PolarHBondContact O-N 3.35Å
791L61.9Low58.7Low161 Ų161136 Ų13684%0.84374%0.74SS**SBendtrans-907.4-170.8-78.1158000115.7
792A60.9Low58.7Low92 Ų92133.8 Ų133.876%0.7673%0.734SS**  trans-113.628.9-167.700000115.7I790I790-A792 PolarHBondContact O-N 3.35Å
793S59.1Low58.4Low86 Ų86135 Ų13560%0.60173%0.733SS**  trans-88.2147.7-175.365.10000115.2
794Q54.7Low58.3Low171 Ų171135.4 Ų135.480%0.79973%0.727SS**G310 helixtrans-87.9-8.5-151.7-154165.213.300115.9
795S56.5Low57.9Low111 Ų111131.2 Ų131.278%0.77671%0.709SS**G310 helixtrans-87.5-12.1-175.650.90000114.8
796M57.1Low57.8Low162 Ų162129 Ų12980%0.79870%0.701SS**G310 helixtrans-91.9-2.6-176.9-149.774.4-151.300114.2
797Q56.3Low57.8Low162 Ų162130.8 Ų130.876%0.75770%0.702SS**SBendtrans-95.3-5.8-173.2-72.9-175.3-1.400115.8
798Q54.3Low58.3Low147 Ų147130.6 Ų130.669%0.68769%0.693SS**SBendtrans-107.6-6.3-167.2-65.6-172.4-16.200116.9P800 T801Q798-P800 VanDerWaalsContact C-CD 3.45Å; Q798-T801 PolarHBondContact O-OG1 3.02Å
799L51.4Low58.5Low152 Ų152129.2 Ų129.280%0.79668%0.682SS**THydrogen-bonded Turntrans-69-25.8-172.7-14372.9000117.5
800P60.1Low58.6Low95 Ų95126 Ų12662%0.61767%0.673SS**THydrogen-bonded Turntrans-74.4-22.6179.5-17.630.9000114.7Q798Q798-P800 VanDerWaalsContact C-CD 3.45Å
801T59.3Low58.9Low92 Ų92124.1 Ų124.156%0.56466%0.664SS**Hα-helixtrans-78.5-35.2-166.9-0.40000113.4Q798 M803Q798-T801 PolarHBondContact O-OG1 3.02Å; T801-M803 VanDerWaalsContact C-N 3.35Å; T801-M803 PolarHBondContact O-N 2.94Å
802D61.9Low58.8Low125 Ų125124.7 Ų124.767%0.66866%0.655SS**Hα-helixtrans-77.1-19.8-177.1-73.1-17.8000113.4S805 T806D802-S805 PolarHBondContact O-OG 2.9Å; D802-T806 PolarHBondContact O-OG1 3.49Å
803M52.3Low58.7Low144 Ų144125.1 Ų125.171%0.70965%0.652SS**Hα-helixtrans-83.2-21.2179.3-165.1154.365.600113.2T801T801-M803 VanDerWaalsContact C-N 3.35Å; T801-M803 PolarHBondContact O-N 2.94Å
804Q61.6Low58.6Low121 Ų121127.8 Ų127.857%0.56566%0.657SS**Hα-helixtrans-83.3-17.7176.9-83.3-170.6-4.600114.2R808Q804-R808 PolarHBondContact O-NE 3.16Å
805S59.9Low58.7Low55 Ų55125.5 Ų125.539%0.38565%0.646SS.*Hα-helixtrans-77.1-41.8178.959.80000111.2D802 L807 R808 E809D802-S805 PolarHBondContact O-OG 2.9Å; S805-L807 PolarHBondContact O-N 2.92Å; S805-R808 PolarHBondContact O-N 3.46Å; S805-E809 PolarHBondContact O-N 3.39Å
806T59.5Low58.8Low94 Ų94121.6 Ų121.658%0.57762%0.624SS**Hα-helixtrans-66.3-34.8-177.2-28.60000113.4D802 R808D802-T806 PolarHBondContact O-OG1 3.49Å; T806-R808 VanDerWaalsContact C-N 3.33Å
807L60.2Low58.8Low133 Ų133122.8 Ų122.870%0.69663%0.625SS**Hα-helixtrans-72.4-24.6177.2-81.4162.4000113.2S805S805-L807 PolarHBondContact O-N 2.92Å
808R63.3Low58.5Low158 Ų158121.3 Ų121.360%0.59662%0.618SS**Hα-helixtrans-80.8-31.6177.2-90.5-179.1-93.6176.2-13112.9Q804 S805 T806 R812Q804-R808 PolarHBondContact O-NE 3.16Å; S805-R808 PolarHBondContact O-N 3.46Å; T806-R808 VanDerWaalsContact C-N 3.33Å; R808-R812 PolarHBondContact O-N 3.37Å
809E64.2Low58.1Low115 Ų115119.7 Ų119.754%0.53762%0.62SS.*Hα-helixtrans-70-35.4177.2-130.973.3-135.400112.2S805 R812 S813S805-E809 PolarHBondContact O-N 3.39Å; E809-R812 PolarHBondContact O-N 3.14Å; E809-R812 IonicContact OE1-NH1 3.45Å; E809-S813 PolarHBondContact O-N 3.38Å
810L59.7Low58.4Low123 Ų123115 Ų11564%0.64461%0.608SS**Hα-helixtrans-73.6-32.5-177.4-142.4147.5000112.5R812 S813L810-R812 VanDerWaalsContact C-N 3.34Å; L810-S813 PolarHBondContact O-N 2.91Å
811N61.9Low58.5Low107 Ų107111.3 Ų111.357%0.57259%0.585SS**Hα-helixtrans-73-26.2175-154.59.6000112.4
812R60.1Low58.8Low174 Ų174111 Ų11166%0.65759%0.592SS**Hα-helixtrans-71.4-34.3173.6-87.3179.2178.7155.7-1.2113.3R808 E809 L810R808-R812 PolarHBondContact O-N 3.37Å; E809-R812 PolarHBondContact O-N 3.14Å; E809-R812 IonicContact OE1-NH1 3.45Å; L810-R812 VanDerWaalsContact C-N 3.34Å
813S59.9Low58.9Low100 Ų100107.8 Ų107.870%0.69958%0.583SS**Hα-helixtrans-72-26.8-179.4-80.80000114.2E809 L810E809-S813 PolarHBondContact O-N 3.38Å; L810-S813 PolarHBondContact O-N 2.91Å
814M56.9Low59.6Low143 Ų143106.5 Ų106.570%0.70457%0.571SS**Hα-helixtrans-85.4-11.6179.9-71.5-139.4-64.300114.8G816M814-G816 PolarHBondContact O-N 2.93Å
815Q57Low59.7Low122 Ų122104.8 Ų104.857%0.5757%0.566SS**G310 helixtrans-75.8-5.1175.1-73.9178.7-2100113.6F817Q815-F817 PolarHBondContact O-N 2.89Å
816G58Low60.1Low29 Ų29109 Ų10930%0.29958%0.577SS.*G310 helixtrans-74.9-12.3-176.600000116.8M814 S821M814-G816 PolarHBondContact O-N 2.93Å; G816-S821 VanDerWaalsContact O-CB 3.3Å; G816-S821 WeakPolarHBondContact O-CB 3.5Å; G816-S821 PolarHBondContact O-OG 3.32Å
817F56.5Low60.3Low188 Ų188111.2 Ų111.283%0.82558%0.582SS**G310 helixtrans-122.811.9-170.3-77.3-84.2000115.8Q815Q815-F817 PolarHBondContact O-N 2.89Å
818Q50.5Low60.7Low130 Ų130107.9 Ų107.961%0.60757%0.567SS**SBendtrans-89.3152.7176.3-78.4-179.8-35.500112.9G820 S821Q818-G820 PolarHBondContact O-N 3.05Å; Q818-S821 WeakPolarHBondContact O-CB 3.33Å; Q818-S821 PolarHBondContact O-N 2.89Å
819P46.6Very low60.9Low114 Ų114102.4 Ų102.474%0.7456%0.556SS**THydrogen-bonded Turntrans-55.1111.1175.3-2030.6000110.3Y824P819-Y824 HydrophobicContact CB-CE1 4.45Å
820G57.8Low61.2Low52 Ų52101 Ų10154%0.53655%0.552SS.*THydrogen-bonded Turntrans116-6.5-172.800000115.6Q818 N825Q818-G820 PolarHBondContact O-N 3.05Å; G820-N825 PolarHBondContact O-ND2 3.35Å
821S62.6Low61.3Low18 Ų18102.1 Ų102.113%0.12656%0.556CS.*SBendtrans-71.5154.6173.983.10000112.4G816 Q818 A823 Y824 N825G816-S821 VanDerWaalsContact O-CB 3.3Å; G816-S821 WeakPolarHBondContact O-CB 3.5Å; G816-S821 PolarHBondContact O-OG 3.32Å; Q818-S821 WeakPolarHBondContact O-CB 3.33Å; Q818-S821 PolarHBondContact O-N 2.89Å; S821-A823 PolarHBondContact O-N 3.19Å; S821-A823 VanDerWaalsContact O-N 3.15Å; S821-Y824 PolarHBondContact O-N 3.39Å; S821-Y824 VanDerWaalsContact O-N 3.09Å; S821-Y824 PolarHBondContact OG-N 3.38Å; S821-N825 PolarHBondContact O-N 3.36Å
822A65.2Low61.4Low86 Ų86103.4 Ų103.471%0.71156%0.558SS**Hα-helixtrans-58.2-28.3178.500000113.2K826A822-K826 VanDerWaalsContact O-CB 3.22Å; A822-K826 WeakPolarHBondContact O-CB 3.09Å; A822-K826 PolarHBondContact O-N 2.78Å; A822-K826 VanDerWaalsContact O-N 3.13Å
823A63.9Low61.8Low58 Ų58103.5 Ų103.548%0.47956%0.558SS.*Hα-helixtrans-75.4-39.9175.800000112.4S821 K826 M827S821-A823 PolarHBondContact O-N 3.19Å; S821-A823 VanDerWaalsContact O-N 3.15Å; A823-K826 PolarHBondContact O-N 2.84Å; A823-M827 PolarHBondContact O-N 3.38Å; A823-M827 VanDerWaalsContact O-N 3.08Å
824Y66.4Low62Low116 Ų116104.2 Ų104.246%0.45555%0.554SS.*Hα-helixtrans-68-44.4175.4-177.1-96.6000111.7P819 S821 K826 M827 V828P819-Y824 HydrophobicContact CB-CE1 4.45Å; S821-Y824 PolarHBondContact O-N 3.39Å; S821-Y824 VanDerWaalsContact O-N 3.09Å; S821-Y824 PolarHBondContact OG-N 3.38Å; Y824-K826 VanDerWaalsContact C-N 3.29Å; Y824-K826 PolarHBondContact O-N 3.35Å; Y824-M827 PolarHBondContact O-N 3.47Å; Y824-V828 HydrophobicContact CD1-CG2 4.29Å; Y824-V828 HydrophobicContact CE1-CG2 3.94Å; Y824-V828 WeakPolarHBondContact O-CG2 3.48Å; Y824-V828 PolarHBondContact O-N 3.05Å
825N64.5Low62.3Low86 Ų86101 Ų10146%0.4654%0.54SS..Hα-helixtrans-65.5-32177.2-67.7-20.1000112.1G820 S821 A829G820-N825 PolarHBondContact O-ND2 3.35Å; S821-N825 PolarHBondContact O-N 3.36Å; N825-A829 WeakPolarHBondContact O-CB 3.47Å; N825-A829 PolarHBondContact O-N 3.48Å
826K68Low62.8Low142 Ų142100.6 Ų100.662%0.61754%0.538SS*.Hα-helixtrans-71-37.7174-163.1169.4-172.71750112.1A822 A823 Y824 A829 D830A822-K826 VanDerWaalsContact O-CB 3.22Å; A822-K826 WeakPolarHBondContact O-CB 3.09Å; A822-K826 PolarHBondContact O-N 2.78Å; A822-K826 VanDerWaalsContact O-N 3.13Å; A823-K826 PolarHBondContact O-N 2.84Å; Y824-K826 VanDerWaalsContact C-N 3.29Å; Y824-K826 PolarHBondContact O-N 3.35Å; K826-A829 PolarHBondContact O-N 3.08Å; K826-D830 WeakPolarHBondContact O-CB 3.14Å; K826-D830 VanDerWaalsContact O-CG 3.22Å; K826-D830 PolarHBondContact O-N 3.35Å
827M64.5Low63.2Low142 Ų142103 Ų10370%0.755%0.547SS*.Hα-helixtrans-67.4-40.5175-165177.3-133.200112.6A823 Y824 D830 M831A823-M827 PolarHBondContact O-N 3.38Å; A823-M827 VanDerWaalsContact O-N 3.08Å; Y824-M827 PolarHBondContact O-N 3.47Å; M827-D830 PolarHBondContact O-N 2.9Å; M827-M831 PolarHBondContact O-N 2.9Å; M827-M831 VanDerWaalsContact O-N 3.12Å
828V67.1Low63.6Low63 Ų6399.1 Ų99.138%0.38253%0.534SS..Hα-helixtrans-68.5-38.3174.6175.20000111.4Y824 M831 Q832Y824-V828 HydrophobicContact CD1-CG2 4.29Å; Y824-V828 HydrophobicContact CE1-CG2 3.94Å; Y824-V828 WeakPolarHBondContact O-CG2 3.48Å; Y824-V828 PolarHBondContact O-N 3.05Å; V828-M831 PolarHBondContact O-N 2.7Å; V828-Q832 PolarHBondContact O-N 3.39Å
829A67Low64.1Low42 Ų4299.3 Ų99.335%0.34753%0.529SS..Hα-helixtrans-67.7-37175.200000113N825 K826 M831 Q832 R833N825-A829 WeakPolarHBondContact O-CB 3.47Å; N825-A829 PolarHBondContact O-N 3.48Å; K826-A829 PolarHBondContact O-N 3.08Å; A829-M831 VanDerWaalsContact C-N 3.32Å; A829-Q832 PolarHBondContact O-N 2.88Å; A829-R833 PolarHBondContact O-N 2.88Å
830D72.5Confident65Low85 Ų8599.7 Ų99.746%0.45552%0.521SS..Hα-helixtrans-68.6-32.8175.4-73.5-23000111.5K826 M827 R833 L834K826-D830 WeakPolarHBondContact O-CB 3.14Å; K826-D830 VanDerWaalsContact O-CG 3.22Å; K826-D830 PolarHBondContact O-N 3.35Å; M827-D830 PolarHBondContact O-N 2.9Å; D830-R833 PolarHBondContact O-N 2.85Å; D830-L834 PolarHBondContact O-N 2.93Å; D830-L834 VanDerWaalsContact O-N 3.12Å
831M59.7Low65.2Low148 Ų148101.3 Ų101.373%0.72952%0.517SS*.Hα-helixtrans-72.1-33.9175.2-150.9156.8174.100112.4M827 V828 A829 D835M827-M831 PolarHBondContact O-N 2.9Å; M827-M831 VanDerWaalsContact O-N 3.12Å; V828-M831 PolarHBondContact O-N 2.7Å; A829-M831 VanDerWaalsContact C-N 3.32Å; M831-D835 PolarHBondContact O-N 3.23Å
832Q64.8Low65.1Low134 Ų134106.6 Ų106.663%0.62654%0.539SS*.Hα-helixtrans-72.1-34.4170.8-74.1179.6-23.800112.8V828 A829 L834 D835 Q836V828-Q832 PolarHBondContact O-N 3.39Å; A829-Q832 PolarHBondContact O-N 2.88Å; Q832-L834 VanDerWaalsContact C-N 3.32Å; Q832-L834 PolarHBondContact O-N 2.75Å; Q832-D835 PolarHBondContact O-N 2.85Å; Q832-Q836 PolarHBondContact O-N 3.11Å
833R68Low64.8Low175 Ų175105.9 Ų105.966%0.6653%0.528SS*.Hα-helixtrans-64.2-34.8172.4-89.7179.2172.4173.1-3.1112.5A829 D830 D835 Q836 V837A829-R833 PolarHBondContact O-N 2.88Å; D830-R833 PolarHBondContact O-N 2.85Å; R833-D835 VanDerWaalsContact C-N 3.34Å; R833-Q836 PolarHBondContact O-N 3.43Å; R833-V837 VanDerWaalsContact O-CG2 3.28Å; R833-V837 WeakPolarHBondContact O-CG2 3.36Å; R833-V837 PolarHBondContact O-N 3.15Å
834L65.5Low64.6Low115 Ų115106.7 Ų106.760%0.60253%0.527SS*.Hα-helixtrans-63.8-40.1174.5-157.786.1000111.9D830 Q832 Q836 V837 L838D830-L834 PolarHBondContact O-N 2.93Å; D830-L834 VanDerWaalsContact O-N 3.12Å; Q832-L834 VanDerWaalsContact C-N 3.32Å; Q832-L834 PolarHBondContact O-N 2.75Å; L834-Q836 VanDerWaalsContact C-N 3.31Å; L834-Q836 PolarHBondContact O-N 2.75Å; L834-V837 PolarHBondContact O-N 3.41Å; L834-L838 WeakPolarHBondContact O-CB 3.28Å; L834-L838 WeakPolarHBondContact O-CG 3.34Å; L834-L838 PolarHBondContact O-N 2.78Å
835D62.8Low64.1Low77 Ų77107 Ų10741%0.41254%0.535SS..Hα-helixtrans-71.9-25.9177.5-154.929.8000112.1M831 Q832 R833 R839M831-D835 PolarHBondContact O-N 3.23Å; Q832-D835 PolarHBondContact O-N 2.85Å; R833-D835 VanDerWaalsContact C-N 3.34Å; D835-R839 WeakPolarHBondContact O-CB 3.41Å; D835-R839 WeakPolarHBondContact O-CG 3.34Å; D835-R839 PolarHBondContact O-N 2.97Å; D835-R839 PolarHBondContact O-NE 2.76Å; D835-R839 IonicContact OD1-CZ 3.87Å; D835-R839 IonicContact OD1-NH2 3.73Å; D835-R839 IonicContact OD2-CZ 3.35Å; D835-R839 IonicContact OD2-NH1 2.78Å; D835-R839 PolarHBondContact OD2-NH1 2.73Å; D835-R839 IonicContact OD2-NH2 3.35Å; D835-R839 PolarHBondContact OD2-NH2 3.42Å
836Q67.6Low63.5Low112 Ų112109.6 Ų109.652%0.52354%0.542SS..Hα-helixtrans-77.9-39.9171.8-169151-7.400112.5Q832 R833 L834 R839 E840Q832-Q836 PolarHBondContact O-N 3.11Å; R833-Q836 PolarHBondContact O-N 3.43Å; L834-Q836 VanDerWaalsContact C-N 3.31Å; L834-Q836 PolarHBondContact O-N 2.75Å; Q836-R839 PolarHBondContact O-N 2.81Å; Q836-E840 WeakPolarHBondContact O-CB 3.37Å; Q836-E840 WeakPolarHBondContact O-CG 3.24Å; Q836-E840 PolarHBondContact O-N 2.89Å
837V66.8Low62.9Low81 Ų81106.5 Ų106.549%0.49154%0.536SS..Hα-helixtrans-64.8-39173.7171.70000111.4R833 L834 R839 E840 L841R833-V837 VanDerWaalsContact O-CG2 3.28Å; R833-V837 WeakPolarHBondContact O-CG2 3.36Å; R833-V837 PolarHBondContact O-N 3.15Å; L834-V837 PolarHBondContact O-N 3.41Å; V837-R839 VanDerWaalsContact C-N 3.32Å; V837-R839 PolarHBondContact O-N 3.23Å; V837-E840 PolarHBondContact O-N 3.04Å; V837-L841 HydrophobicContact CG1-CD1 4.25Å; V837-L841 PolarHBondContact O-N 2.77Å; V837-L841 VanDerWaalsContact O-N 3.1Å
838L63.8Low62.2Low105 Ų105106.2 Ų106.255%0.5554%0.536SS..Hα-helixtrans-64.9-33.6173.7-80.7162.5000112.7L834L834-L838 WeakPolarHBondContact O-CB 3.28Å; L834-L838 WeakPolarHBondContact O-CG 3.34Å; L834-L838 PolarHBondContact O-N 2.78Å
839R61Low61.3Low135 Ų135109.5 Ų109.551%0.50955%0.552SS.*Hα-helixtrans-79.3-32.1175.1-83.3-175.7-77.7-118.72.2113.8D835 Q836 V837 L841 Q842 P843D835-R839 WeakPolarHBondContact O-CB 3.41Å; D835-R839 WeakPolarHBondContact O-CG 3.34Å; D835-R839 PolarHBondContact O-N 2.97Å; D835-R839 PolarHBondContact O-NE 2.76Å; D835-R839 IonicContact OD1-CZ 3.87Å; D835-R839 IonicContact OD1-NH2 3.73Å; D835-R839 IonicContact OD2-CZ 3.35Å; D835-R839 IonicContact OD2-NH1 2.78Å; D835-R839 PolarHBondContact OD2-NH1 2.73Å; D835-R839 IonicContact OD2-NH2 3.35Å; D835-R839 PolarHBondContact OD2-NH2 3.42Å; Q836-R839 PolarHBondContact O-N 2.81Å; V837-R839 VanDerWaalsContact C-N 3.32Å; V837-R839 PolarHBondContact O-N 3.23Å; R839-L841 VanDerWaalsContact C-N 3.31Å; R839-Q842 WeakPolarHBondContact O-CB 3.42Å; R839-Q842 PolarHBondContact O-N 2.79Å; R839-P843 WeakPolarHBondContact O-CD 3.41Å
840E65.9Low60.7Low121 Ų121114.2 Ų114.257%0.56557%0.566SS**Hα-helixtrans-74-21174-76.8179.7-17400112.8Q836 V837 P843Q836-E840 WeakPolarHBondContact O-CB 3.37Å; Q836-E840 WeakPolarHBondContact O-CG 3.24Å; Q836-E840 PolarHBondContact O-N 2.89Å; V837-E840 PolarHBondContact O-N 3.04Å; E840-P843 VanDerWaalsContact O-CD 3.32Å; E840-P843 WeakPolarHBondContact O-CD 3.32Å; E840-P843 WeakPolarHBondContact O-CG 3.5Å
841L61.4Low59.1Low87 Ų87119.3 Ų119.346%0.45559%0.585SS.*Hα-helixtrans-74.5-24.5169.5-87.4156.9000113.6V837 R839 V844 L845V837-L841 HydrophobicContact CG1-CD1 4.25Å; V837-L841 PolarHBondContact O-N 2.77Å; V837-L841 VanDerWaalsContact O-N 3.1Å; R839-L841 VanDerWaalsContact C-N 3.31Å; L841-V844 PolarHBondContact O-N 2.89Å; L841-L845 PolarHBondContact O-N 2.82Å
842Q60Low58.3Low128 Ų128117.1 Ų117.160%0.59858%0.58SS**Hα-helixtrans-61.2-45.5178-75-177.3-40.300114.2R839 V844 L845 K846R839-Q842 WeakPolarHBondContact O-CB 3.42Å; R839-Q842 PolarHBondContact O-N 2.79Å; Q842-V844 VanDerWaalsContact C-N 3.34Å; Q842-L845 PolarHBondContact O-N 2.94Å; Q842-K846 PolarHBondContact O-N 3.22Å
843P59Low57.2Low71 Ų71118.7 Ų118.746%0.46159%0.587SS.*Hα-helixtrans-70.9-25.1175.924.4-31.9000113.3R839 E840 K846 T847R839-P843 WeakPolarHBondContact O-CD 3.41Å; E840-P843 VanDerWaalsContact O-CD 3.32Å; E840-P843 WeakPolarHBondContact O-CD 3.32Å; E840-P843 WeakPolarHBondContact O-CG 3.5Å; P843-K846 PolarHBondContact O-N 2.91Å; P843-T847 WeakPolarHBondContact O-CB 3.42Å; P843-T847 PolarHBondContact O-N 2.82Å; P843-T847 PolarHBondContact O-OG1 3.01Å
844V60.9Low55.6Low76 Ų76119.9 Ų119.946%0.46160%0.6SS.*Hα-helixtrans-71.9-38.5174.1-179.70000111.4L841 Q842 K846 T847 L848L841-V844 PolarHBondContact O-N 2.89Å; Q842-V844 VanDerWaalsContact C-N 3.34Å; V844-K846 VanDerWaalsContact C-N 3.32Å; V844-T847 WeakPolarHBondContact CA-OG1 2.94Å; V844-T847 PolarHBondContact O-N 2.84Å; V844-T847 PolarHBondContact O-OG1 3.29Å; V844-L848 HydrophobicContact CG1-CD1 4.34Å; V844-L848 WeakPolarHBondContact O-CB 3.34Å; V844-L848 WeakPolarHBondContact O-CG 3.01Å; V844-L848 PolarHBondContact O-N 2.8Å
845L55.9Low54.3Low122 Ų122117.3 Ų117.364%0.63960%0.601SS**Hα-helixtrans-66.8-32.2169.8-80.3158.9000112.4L841 Q842 N849L841-L845 PolarHBondContact O-N 2.82Å; Q842-L845 PolarHBondContact O-N 2.94Å; L845-N849 PolarHBondContact O-N 2.98Å
846K52.3Low53.3Low140 Ų140120.6 Ų120.661%0.60961%0.614SS**Hα-helixtrans-71.8-41.9173.6-118179.8177.5-175.80112.7Q842 P843 V844 N849 E850Q842-K846 PolarHBondContact O-N 3.22Å; P843-K846 PolarHBondContact O-N 2.91Å; V844-K846 VanDerWaalsContact C-N 3.32Å; K846-N849 WeakPolarHBondContact O-CB 3.18Å; K846-N849 PolarHBondContact O-N 3.47Å; K846-N849 VanDerWaalsContact O-N 3.13Å; K846-E850 WeakPolarHBondContact O-CG 3.43Å; K846-E850 PolarHBondContact O-N 3.33Å
847T53.7Low52.2Low78 Ų78122 Ų12248%0.47963%0.631SS.*Hα-helixtrans-76.7-23.3179.6390000113.8P843 V844 N849P843-T847 WeakPolarHBondContact O-CB 3.42Å; P843-T847 PolarHBondContact O-N 2.82Å; P843-T847 PolarHBondContact O-OG1 3.01Å; V844-T847 WeakPolarHBondContact CA-OG1 2.94Å; V844-T847 PolarHBondContact O-N 2.84Å; V844-T847 PolarHBondContact O-OG1 3.29Å; T847-N849 VanDerWaalsContact C-N 3.27Å
848L50.5Low51.2Low135 Ų135124.3 Ų124.371%0.70764%0.638SS**Hα-helixtrans-70.4-24.6165.8-79.5164.6000112.5V844V844-L848 HydrophobicContact CG1-CD1 4.34Å; V844-L848 WeakPolarHBondContact O-CB 3.34Å; V844-L848 WeakPolarHBondContact O-CG 3.01Å; V844-L848 PolarHBondContact O-N 2.8Å
849N48.9Very low50.1Low132 Ų132124.9 Ų124.971%0.70664%0.636SS**Hα-helixtrans-92.2-17.5179.5-15028.3000113.3L845 K846 T847L845-N849 PolarHBondContact O-N 2.98Å; K846-N849 WeakPolarHBondContact O-CB 3.18Å; K846-N849 PolarHBondContact O-N 3.47Å; K846-N849 VanDerWaalsContact O-N 3.13Å; T847-N849 VanDerWaalsContact C-N 3.27Å
850E52.8Low49.2Very low141 Ų141127 Ų12766%0.65965%0.649SS**SBendtrans-96.7-2.2-178.1-77.8172.3171.100114.2K846K846-E850 WeakPolarHBondContact O-CG 3.43Å; K846-E850 PolarHBondContact O-N 3.33Å
851K40.3Very low48.4Very low192 Ų192130.5 Ų130.584%0.83566%0.657SS**  trans-95.614.4-175.5-126.2-178.1-175.2-176.60115.9
852T42.1Very low47.7Very low103 Ų103130.7 Ų130.763%0.63266%0.658SS**  trans-101.696.917633.80000111.4
853E41.5Very low47.1Very low167 Ų167129.3 Ų129.378%0.7866%0.658SS**  trans6098136.8-62.2174.7153.600117.5
854E36Very low46.5Very low199 Ų199129.6 Ų129.693%0.9366%0.658SS**  52.3100.186.1-65.6-174162.400113.9
855G37.5Very low46.1Very low61 Ų61129.9 Ų129.963%0.62966%0.656SS**  trans170.375.7174.300000115.9T857G855-T857 PolarHBondContact O-N 3.34Å; G855-T857 VanDerWaalsContact O-N 3.09Å
856E41.7Very low45.7Very low146 Ų146125.6 Ų125.668%0.68264%0.639SS**THydrogen-bonded Turntrans-67.80.3-162.7-85.4-167.4120.800120K859E856-K859 HydrophobicContact CG-CD 4.45Å; E856-K859 IonicContact OE1-NZ 2.88Å; E856-K859 PolarHBondContact OE1-NZ 3.25Å
857T45.3Very low45.4Very low141 Ų141121.9 Ų121.987%0.86563%0.634SS**THydrogen-bonded Turntrans-100.3-12-172.445.50000114.5G855 K859G855-T857 PolarHBondContact O-N 3.34Å; G855-T857 VanDerWaalsContact O-N 3.09Å; T857-K859 PolarHBondContact O-N 2.91Å
858M44.4Very low45.1Very low130 Ų130125.1 Ų125.164%0.6465%0.648SS**THydrogen-bonded Turntrans-80.7-4.1170.3-158.1161.66800112.8K860 W861 L862M858-K860 VanDerWaalsContact C-N 3.3Å; M858-K860 PolarHBondContact O-N 2.86Å; M858-W861 PolarHBondContact O-N 3.1Å; M858-L862 HydrophobicContact CB-CD1 4.24Å; M858-L862 HydrophobicContact CE-CD1 3.84Å; M858-L862 HydrophobicContact CG-CD1 3.96Å; M858-L862 HydrophobicContact CG-CG 4.5Å; M858-L862 WeakPolarHBondContact O-CB 3.45Å; M858-L862 PolarHBondContact O-N 3.34Å
859K41.5Very low44.9Very low118 Ų118128.4 Ų128.451%0.51365%0.651SS.*Hα-helixtrans-58.5-28.6178.1-88.8177.2175.2173.50114E856 T857 V863E856-K859 HydrophobicContact CG-CD 4.45Å; E856-K859 IonicContact OE1-NZ 2.88Å; E856-K859 PolarHBondContact OE1-NZ 3.25Å; T857-K859 PolarHBondContact O-N 2.91Å; K859-V863 VanDerWaalsContact O-CB 3.23Å; K859-V863 WeakPolarHBondContact O-CB 3.42Å; K859-V863 WeakPolarHBondContact O-CG2 3.09Å; K859-V863 PolarHBondContact O-N 3.02Å
860K42.5Very low44.7Very low179 Ų179127 Ų12778%0.77864%0.643SS**Hα-helixtrans-78.8-35.3-177.7-78.8-176.4176.71790114.3M858 T864M858-K860 VanDerWaalsContact C-N 3.3Å; M858-K860 PolarHBondContact O-N 2.86Å; K860-T864 PolarHBondContact O-OG1 3.44Å
861W48Very low44.2Very low195 Ų195124.7 Ų124.774%0.73965%0.647SS**Hα-helixtrans-80.8-33173.3-89.193.2000111.5M858 T864 I865M858-W861 PolarHBondContact O-N 3.1Å; W861-T864 PolarHBondContact O-N 2.88Å; W861-T864 PolarHBondContact O-OG1 2.99Å; W861-I865 HydrophobicContact CE3-CD1 4.4Å; W861-I865 WeakPolarHBondContact O-CB 3.5Å; W861-I865 VanDerWaalsContact O-CG1 3.32Å; W861-I865 WeakPolarHBondContact O-CG1 3.39Å; W861-I865 PolarHBondContact O-N 3.41Å
862L46.1Very low44Very low91 Ų91118.4 Ų118.448%0.47664%0.638SS.*Hα-helixtrans-68-30.6169.3-85.9158.6000112.9M858 A866M858-L862 HydrophobicContact CB-CD1 4.24Å; M858-L862 HydrophobicContact CE-CD1 3.84Å; M858-L862 HydrophobicContact CG-CD1 3.96Å; M858-L862 HydrophobicContact CG-CG 4.5Å; M858-L862 WeakPolarHBondContact O-CB 3.45Å; M858-L862 PolarHBondContact O-N 3.34Å; L862-A866 VanDerWaalsContact O-CA 3.27Å; L862-A866 WeakPolarHBondContact O-CA 3.24Å; L862-A866 WeakPolarHBondContact O-CB 3.48Å; L862-A866 PolarHBondContact O-N 3.19Å
863V47.4Very low43.4Very low98 Ų98118 Ų11859%0.59464%0.638SS**Hα-helixtrans-72.5-28.7176.2164.60000112.9K859 A867K859-V863 VanDerWaalsContact O-CB 3.23Å; K859-V863 WeakPolarHBondContact O-CB 3.42Å; K859-V863 WeakPolarHBondContact O-CG2 3.09Å; K859-V863 PolarHBondContact O-N 3.02Å; V863-A867 WeakPolarHBondContact O-CB 3.32Å; V863-A867 PolarHBondContact O-N 3.05Å
864T47.6Very low43.1Very low77 Ų77115.8 Ų115.847%0.47264%0.641SS.*Hα-helixtrans-84.4-36.3175.829.90000112.5K860 W861 A866 A867 L868K860-T864 PolarHBondContact O-OG1 3.44Å; W861-T864 PolarHBondContact O-N 2.88Å; W861-T864 PolarHBondContact O-OG1 2.99Å; T864-A866 VanDerWaalsContact C-N 3.35Å; T864-A867 PolarHBondContact O-N 3.35Å; T864-L868 PolarHBondContact O-N 3.12Å; T864-L868 VanDerWaalsContact O-N 3.16Å
865I52.7Low43Very low82 Ų82111.3 Ų111.342%0.42163%0.631SS.*Hα-helixtrans-70.6-34.8168.4-66.2169.7000110.3W861 L868 W869W861-I865 HydrophobicContact CE3-CD1 4.4Å; W861-I865 WeakPolarHBondContact O-CB 3.5Å; W861-I865 VanDerWaalsContact O-CG1 3.32Å; W861-I865 WeakPolarHBondContact O-CG1 3.39Å; W861-I865 PolarHBondContact O-N 3.41Å; I865-L868 CarbonylContact O-C 3.55Å; I865-L868 PolarHBondContact O-N 3.46Å; I865-W869 WeakPolarHBondContact O-CB 3.46Å; I865-W869 PolarHBondContact O-N 3.27Å
866A46.1Very low42.9Very low32 Ų32111.5 Ų111.526%0.26463%0.633SS.*Hα-helixtrans-67.3-38.8169.600000110.5L862 T864 L868 W869 L870L862-A866 VanDerWaalsContact O-CA 3.27Å; L862-A866 WeakPolarHBondContact O-CA 3.24Å; L862-A866 WeakPolarHBondContact O-CB 3.48Å; L862-A866 PolarHBondContact O-N 3.19Å; T864-A866 VanDerWaalsContact C-N 3.35Å; A866-L868 VanDerWaalsContact C-N 3.25Å; A866-L868 PolarHBondContact O-N 3.26Å; A866-W869 CarbonylContact O-C 3.51Å; A866-W869 PolarHBondContact O-N 3.18Å; A866-W869 VanDerWaalsContact O-N 3.15Å; A866-L870 HydrophobicContact CB-CD1 3.84Å; A866-L870 HydrophobicContact CB-CG 4.33Å; A866-L870 VanDerWaalsContact O-CA 3.31Å; A866-L870 WeakPolarHBondContact O-CA 3.45Å; A866-L870 WeakPolarHBondContact O-CB 3.45Å; A866-L870 VanDerWaalsContact O-CD1 3.27Å; A866-L870 WeakPolarHBondContact O-CD1 3.25Å; A866-L870 WeakPolarHBondContact O-CG 3.33Å; A866-L870 PolarHBondContact O-N 3.34Å
867A47.1Very low42.6Very low62 Ų62112.3 Ų112.351%0.51264%0.637SS.*Hα-helixtrans-62.8-31.4173.300000113V863 T864 A871V863-A867 WeakPolarHBondContact O-CB 3.32Å; V863-A867 PolarHBondContact O-N 3.05Å; T864-A867 PolarHBondContact O-N 3.35Å; A867-A871 PolarHBondContact O-N 3.11Å
868L46.8Very low42.9Very low146 Ų146111.2 Ų111.276%0.76463%0.625SS**Hα-helixtrans-81.6-21.9173.1-94.9137.5000114.1T864 I865 A866T864-L868 PolarHBondContact O-N 3.12Å; T864-L868 VanDerWaalsContact O-N 3.16Å; I865-L868 CarbonylContact O-C 3.55Å; I865-L868 PolarHBondContact O-N 3.46Å; A866-L868 VanDerWaalsContact C-N 3.25Å; A866-L868 PolarHBondContact O-N 3.26Å
869W47.2Very low43.4Very low204 Ų204110.6 Ų110.677%0.77362%0.624SS**Hα-helixtrans-89.1-21.3168-89.671.2000113.1I865 A866 G872I865-W869 WeakPolarHBondContact O-CB 3.46Å; I865-W869 PolarHBondContact O-N 3.27Å; A866-W869 CarbonylContact O-C 3.51Å; A866-W869 PolarHBondContact O-N 3.18Å; A866-W869 VanDerWaalsContact O-N 3.15Å; W869-G872 VanDerWaalsContact O-CA 3.32Å; W869-G872 WeakPolarHBondContact O-CA 3.34Å; W869-G872 PolarHBondContact O-N 3.36Å
870L44.9Very low45.2Very low104 Ų104110.7 Ų110.755%0.54562%0.624SS.*Hα-helixtrans-89.8-13.4-179.9-71.8164.1000111.5A866 G872 C873A866-L870 HydrophobicContact CB-CD1 3.84Å; A866-L870 HydrophobicContact CB-CG 4.33Å; A866-L870 VanDerWaalsContact O-CA 3.31Å; A866-L870 WeakPolarHBondContact O-CA 3.45Å; A866-L870 WeakPolarHBondContact O-CB 3.45Å; A866-L870 VanDerWaalsContact O-CD1 3.27Å; A866-L870 WeakPolarHBondContact O-CD1 3.25Å; A866-L870 WeakPolarHBondContact O-CG 3.33Å; A866-L870 PolarHBondContact O-N 3.34Å; L870-G872 PolarHBondContact O-N 3.34Å; L870-C873 HydrophobicContact CD2-CB 4.29Å; L870-C873 CarbonylContact O-C 3.58Å; L870-C873 PolarHBondContact O-N 2.93Å; L870-C873 VanDerWaalsContact O-N 3.09Å
871A41.6Very low47.2Very low91 Ų91105.7 Ų105.775%0.75261%0.606SS**THydrogen-bonded Turntrans-64.3-10.4153.700000112.2A867A867-A871 PolarHBondContact O-N 3.11Å
872G37Very low49.2Very low61 Ų61103.3 Ų103.363%0.62960%0.598SS**THydrogen-bonded Turntrans-95.26.3168.200000115W869 L870W869-G872 VanDerWaalsContact O-CA 3.32Å; W869-G872 WeakPolarHBondContact O-CA 3.34Å; W869-G872 PolarHBondContact O-N 3.36Å; L870-G872 PolarHBondContact O-N 3.34Å
873C29.1Very low51.4Low94 Ų94100.1 Ų100.164%0.63558%0.58SS**  trans-140.475.1178.3-74.20000111.2L870L870-C873 HydrophobicContact CD2-CB 4.29Å; L870-C873 CarbonylContact O-C 3.58Å; L870-C873 PolarHBondContact O-N 2.93Å; L870-C873 VanDerWaalsContact O-N 3.09Å
874S33.8Very low53.5Low120 Ų120101.5 Ų101.584%0.83958%0.58SS**  trans-147.533.5157.1-178.80000111.7
875S34.6Very low55.5Low105 Ų10598 Ų9873%0.73456%0.558SS**  trans-106.190.8145.758.80000104.4E877S875-E877 PolarHBondContact O-N 3.49Å
876G35Very low57.1Low65 Ų6597.6 Ų97.667%0.6756%0.561SS**  trans-56.7107.6153.400000103.5I878G876-I878 PolarHBondContact O-N 3.02Å
877E36.9Very low58.3Low164 Ų16499.1 Ų99.177%0.76657%0.567SS**  trans-40.3114.1171.7-114.7-176.4161.100104.5S875 N879S875-E877 PolarHBondContact O-N 3.49Å; E877-N879 PolarHBondContact O-N 3.37Å
878I50.6Low58.7Low117 Ų117100.2 Ų100.260%0.657%0.567SS**  trans-67.288.5-179.2-67.7178.1000103.8G876 K880 N933G876-I878 PolarHBondContact O-N 3.02Å; I878-K880 PolarHBondContact O-N 2.83Å; I878-N933 HydrophobicContact CG2-CB 3.86Å; I878-N933 WeakPolarHBondContact CG2-ND2 3.42Å; I878-N933 WeakPolarHBondContact CG2-OD1 3.33Å
879N54.3Low58.9Low117 Ų117102 Ų10263%0.62657%0.572SS**  trans-67.3108.8-172.7-122-11.2000104.8E877 N881E877-N879 PolarHBondContact O-N 3.37Å; N879-N881 PolarHBondContact O-N 2.9Å
880K79.3Confident58.5Low120 Ų12095.7 Ų95.752%0.52256%0.559SS.*  trans-65.6108.3174.1-70.6-178.4178-178.80106.5I878 Y882 N933 L935I878-K880 PolarHBondContact O-N 2.83Å; K880-Y882 HydrophobicContact CB-CD2 4.47Å; K880-Y882 HydrophobicContact CB-CE2 3.77Å; K880-Y882 WeakPolarHBondContact O-CD2 3.25Å; K880-N933 CarbonylContact C-O 3.38Å; K880-N933 WeakPolarHBondContact CA-O 2.82Å; K880-L935 HydrophobicContact CB-CD1 4.41Å; K880-L935 HydrophobicContact CD-CD1 4.03Å; K880-L935 HydrophobicContact CG-CD1 4.35Å
881N86Confident58Low74 Ų7494.4 Ų94.440%0.39657%0.57SS.*EExtended strand (participates in β ladder)trans-83.3121.4174-63.3-36.1000107.6N879 Y883 N933 N934 L935N879-N881 PolarHBondContact O-N 2.9Å; N881-Y883 HydrophobicContact CB-CD2 4.42Å; N881-Y883 HydrophobicContact CB-CE2 3.6Å; N881-N933 PolarHBondContact N-O 3.14Å; N881-N934 PolarHBondContact ND2-OD1 3Å; N881-N934 VanDerWaalsContact ND2-OD1 3.15Å; N881-L935 PolarHBondContact O-N 3.19Å
882Y89.8Confident57.5Low145 Ų14595.3 Ų95.357%0.56957%0.567SS**EExtended strand (participates in β ladder)trans-99.7118.7176.1-66.7-88.1000109.6K880 L935K880-Y882 HydrophobicContact CB-CD2 4.47Å; K880-Y882 HydrophobicContact CB-CE2 3.77Å; K880-Y882 WeakPolarHBondContact O-CD2 3.25Å; Y882-L935 CarbonylContact C-O 3.49Å; Y882-L935 VanDerWaalsContact CA-O 3.29Å; Y882-L935 WeakPolarHBondContact CA-O 3.47Å; Y882-L935 HydrophobicContact CD1-CB 4.06Å; Y882-L935 HydrophobicContact CE1-CB 4.17Å; Y882-L935 HydrophobicContact CE1-CD1 3.96Å
883Y91.1Very high57.3Low24 Ų24101.7 Ų101.79%0.09458%0.58CS.*EExtended strand (participates in β ladder)trans-97.6133.1-179.2-69.8-82.9000110.4N881 V919 N934 L935 W936 A937 Y1018 D1019 V1022N881-Y883 HydrophobicContact CB-CD2 4.42Å; N881-Y883 HydrophobicContact CB-CE2 3.6Å; Y883-V919 HydrophobicContact CD2-CG2 4.14Å; Y883-N934 HydrophobicContact CD2-CB 4.07Å; Y883-N934 HydrophobicContact CE2-CB 3.55Å; Y883-N934 WeakPolarHBondContact CE2-OD1 3.34Å; Y883-N934 PolarHBondContact OH-OD1 3.08Å; Y883-L935 PolarHBondContact N-O 2.88Å; Y883-W936 CarbonylContact O-C 3.56Å; Y883-W936 WeakPolarHBondContact O-CA 3.35Å; Y883-A937 PolarHBondContact O-N 2.67Å; Y883-Y1018 VanDerWaalsContact CZ-CB 3.47Å; Y883-Y1018 VanDerWaalsContact OH-CB 3.31Å; Y883-Y1018 WeakPolarHBondContact OH-CB 3.31Å; Y883-D1019 WeakPolarHBondContact CE1-OD1 2.98Å; Y883-D1019 PolarHBondContact OH-OD1 2.78Å; Y883-V1022 HydrophobicContact CD1-CB 4.11Å; Y883-V1022 HydrophobicContact CD1-CG1 4.34Å; Y883-V1022 HydrophobicContact CD1-CG2 3.68Å; Y883-V1022 HydrophobicContact CE1-CG2 4.39Å; Y883-V1022 HydrophobicContact CG-CG2 3.94Å
884Q91.1Very high57.5Low128 Ų128102.1 Ų102.160%0.59858%0.584SS**  trans-123.6137.8170.8-171.8176.4-6.600109P886 A937 Q943Q884-P886 WeakPolarHBondContact O-CD 3.5Å; Q884-A937 HydrophobicContact CB-CB 4.21Å; Q884-Q943 VanDerWaalsContact CA-OE1 3.25Å
885L90.9Very high57.6Low3 Ų3102.4 Ų102.42%0.01658%0.581CS.*PPolyproline II helixtrans-63.8124.1172-66.7173.4000109.2V887 W936 L940 Q943 L944 T947 F980 V1022 A1026L885-V887 PolarHBondContact O-N 2.9Å; L885-W936 HydrophobicContact CD2-CH2 4.23Å; L885-W936 HydrophobicContact CD2-CZ3 4.1Å; L885-W936 HydrophobicContact CG-CZ3 4.19Å; L885-L940 HydrophobicContact CD1-CD1 4.35Å; L885-Q943 HydrophobicContact CD1-CB 3.98Å; L885-Q943 HydrophobicContact CG-CB 4.4Å; L885-L944 HydrophobicContact CD1-CD2 3.82Å; L885-L944 HydrophobicContact CD1-CG 4.26Å; L885-T947 HydrophobicContact CB-CG2 3.77Å; L885-T947 HydrophobicContact CD1-CG2 4.5Å; L885-F980 HydrophobicContact CD1-CZ 4.16Å; L885-F980 HydrophobicContact CD2-CE1 4.17Å; L885-F980 HydrophobicContact CD2-CZ 3.87Å; L885-V1022 HydrophobicContact CD2-CG1 4.35Å; L885-A1026 HydrophobicContact CD2-CB 3.96Å
886P85.8Confident57.7Low74 Ų74102.7 Ų102.748%0.48159%0.59SS.*PPolyproline II helixtrans-61.9124.6178.923.7-33.2000110.4Q884 A1026Q884-P886 WeakPolarHBondContact O-CD 3.5Å; P886-A1026 HydrophobicContact CG-CB 3.66Å
887V70.5Confident57.9Low64 Ų64104.4 Ų104.439%0.38859%0.591SS.*PPolyproline II helixtrans-88.4118.3169.3-174.30000107L885 Q889 T947 A950L885-V887 PolarHBondContact O-N 2.9Å; V887-Q889 VanDerWaalsContact C-N 3.31Å; V887-Q889 PolarHBondContact O-N 3.23Å; V887-T947 HydrophobicContact CG2-CG2 4.01Å; V887-A950 HydrophobicContact CG1-CB 3.56Å
888V57.6Low58.4Low85 Ų85105.9 Ų105.952%0.51560%0.598SS.*  trans-68.793.1174.3-173.60000107.9S890V888-S890 WeakPolarHBondContact CG1-OG 3.41Å; V888-S890 PolarHBondContact O-N 3.48Å
889Q49Very low58.4Low183 Ų183101.3 Ų101.386%0.85558%0.58SS**  trans-72.176166.9-76.5-175.6-13.700108.6V887 G891V887-Q889 VanDerWaalsContact C-N 3.31Å; V887-Q889 PolarHBondContact O-N 3.23Å; Q889-G891 PolarHBondContact O-N 2.94Å
890S39.4Very low58.9Low72 Ų72103.7 Ų103.750%0.50359%0.592SS.*  trans-70.2101.5161.8-67.10000107.2V888 T892V888-S890 WeakPolarHBondContact CG1-OG 3.41Å; V888-S890 PolarHBondContact O-N 3.48Å; S890-T892 PolarHBondContact O-N 3.27Å
891G33.8Very low59.1Low76 Ų76102.9 Ų102.978%0.78459%0.586SS**  trans-58.997.2179.500000111.4Q889Q889-G891 PolarHBondContact O-N 2.94Å
892T32.2Very low59.2Low111 Ų111101.5 Ų101.568%0.68158%0.578SS**  trans-154.8107.8144.4-37.40000105.8S890 S894S890-T892 PolarHBondContact O-N 3.27Å; T892-S894 PolarHBondContact O-N 3.46Å
893Q32.4Very low59.3Low195 Ų19594.6 Ų94.691%0.91155%0.551SS**  trans-59.390.2155.3-80175.6-27.200105.5T895Q893-T895 PolarHBondContact O-N 3.07Å
894S33.9Very low59.4Low103 Ų10395.8 Ų95.872%0.7256%0.556SS**  trans-63101.7162.7-64.60000104.9T892 A896T892-S894 PolarHBondContact O-N 3.46Å; S894-A896 PolarHBondContact O-N 2.86Å
895T35.5Very low59.5Low126 Ų12689.7 Ų89.777%0.77353%0.527SS*.  trans-29.4131.9156.9200000108.9Q893 S897Q893-T895 PolarHBondContact O-N 3.07Å; T895-S897 PolarHBondContact O-N 2.86Å
896A37.5Very low59.6Low111 Ų11193.1 Ų93.192%0.91754%0.543SS*.  trans-50.781168.100000110.1S894S894-A896 PolarHBondContact O-N 2.86Å
897S39.1Very low59.8Low100 Ų10094 Ų9470%0.69954%0.541SS*.  trans-69.6134.2156.1170.60000105.1T895 G899T895-S897 PolarHBondContact O-N 2.86Å; S897-G899 PolarHBondContact O-N 2.84Å
898Q46.3Very low60.9Low196 Ų19691.3 Ų91.392%0.91653%0.525SS*.  trans-54.682.4178.4-72.8168.7-5300111N900Q898-N900 PolarHBondContact O-N 3.42Å
899G50.7Low62.6Low20 Ų2089.5 Ų89.521%0.20651%0.514CS..  trans-81.3108.6171.900000108.6S897 R901 G958S897-G899 PolarHBondContact O-N 2.84Å; G899-R901 PolarHBondContact O-N 3.28Å; G899-G958 WeakPolarHBondContact CA-O 3.26Å
900N65.9Low64.8Low168 Ų16882 Ų8290%0.89848%0.481SS*.  trans-72.7-2.3-180-111.79.9000113.6Q898Q898-N900 PolarHBondContact O-N 3.42Å
901R82.4Confident67.4Low102 Ų10280.8 Ų80.839%0.38547%0.471SS..EExtended strand (participates in β ladder)trans-115.9123.7-175.3-61.5-171.8-179.2-162.8-5.9110.6G899 W959 V960 P1044G899-R901 PolarHBondContact O-N 3.28Å; R901-W959 HydrophobicContact CB-CD2 3.58Å; R901-W959 HydrophobicContact CB-CE3 3.64Å; R901-W959 HydrophobicContact CB-CG 4.15Å; R901-W959 HydrophobicContact CB-CH2 4.15Å; R901-W959 HydrophobicContact CB-CZ2 4.09Å; R901-W959 HydrophobicContact CB-CZ3 3.93Å; R901-W959 VanDerWaalsContact CD-CZ2 3.42Å; R901-W959 HydrophobicContact CG-CZ2 4.36Å; R901-W959 WeakPolarHBondContact O-CA 3.44Å; R901-V960 PolarHBondContact O-N 2.75Å; R901-P1044 PolarHBondContact NH1-O 2.94Å; R901-P1044 PolarHBondContact NH2-O 3.25Å; R901-P1044 PolarHBondContact NH2-OXT 3.14Å
902L89Confident70Confident45 Ų4584.3 Ų84.324%0.23647%0.472CS..EExtended strand (participates in β ladder)trans-110.4129.5-177.2-56.3173.8000109.1V960 L966 Q970 D971L902-V960 HydrophobicContact CD2-CB 3.84Å; L902-V960 HydrophobicContact CD2-CG1 4.48Å; L902-V960 HydrophobicContact CD2-CG2 4.16Å; L902-L966 HydrophobicContact CB-CB 4.27Å; L902-L966 HydrophobicContact CB-CD1 4.16Å; L902-L966 HydrophobicContact CD1-CB 4.04Å; L902-L966 HydrophobicContact CD2-CB 4.23Å; L902-L966 HydrophobicContact CD2-CD1 4.18Å; L902-L966 HydrophobicContact CG-CB 4.41Å; L902-Q970 HydrophobicContact CB-CB 3.78Å; L902-D971 PolarHBondContact O-N 3.39Å
903L91.6Very high72.8Confident0 Ų082.5 Ų82.50%045%0.453CS..EExtended strand (participates in β ladder)trans-121.5117.8174.8-178.868.6000109.6L952 L956 W959 V960 V961 A962 D971 L973 L996 I1040L903-L952 HydrophobicContact CD2-CD1 4.05Å; L903-L956 HydrophobicContact CD2-CD1 4Å; L903-W959 HydrophobicContact CB-CE3 3.86Å; L903-W959 HydrophobicContact CB-CZ3 4.19Å; L903-V960 PolarHBondContact N-O 3.06Å; L903-V961 HydrophobicContact CB-CG2 4.29Å; L903-V961 HydrophobicContact CD2-CG1 4.16Å; L903-V961 HydrophobicContact CD2-CG2 4.14Å; L903-V961 HydrophobicContact CG-CG1 4.47Å; L903-V961 WeakPolarHBondContact O-CA 3.25Å; L903-A962 PolarHBondContact O-N 3.03Å; L903-D971 HydrophobicContact CD1-CB 3.8Å; L903-L973 HydrophobicContact CD1-CB 4.25Å; L903-L996 HydrophobicContact CD1-CD1 3.91Å; L903-I1040 HydrophobicContact CD1-CD1 4.41Å; L903-I1040 HydrophobicContact CD2-CD1 3.77Å
904W93.5Very high75.6Confident50 Ų5073.2 Ų73.219%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-101.511917517733.1000110.1E906 S963 Q964 P965 Q970 D971 T972 L973W904-E906 HydrophobicContact CD2-CB 4.19Å; W904-E906 HydrophobicContact CE3-CB 4.39Å; W904-E906 HydrophobicContact CH2-CB 4.06Å; W904-E906 HydrophobicContact CH2-CG 3.7Å; W904-E906 HydrophobicContact CZ2-CB 3.87Å; W904-E906 HydrophobicContact CZ2-CG 3.75Å; W904-E906 HydrophobicContact CZ3-CB 4.32Å; W904-E906 HydrophobicContact CZ3-CG 4.28Å; W904-E906 PolarHBondContact O-N 2.76Å; W904-S963 PolarHBondContact NE1-O 3.4Å; W904-Q964 VanDerWaalsContact CD1-C 3.41Å; W904-P965 HydrophobicContact CD2-CB 4.26Å; W904-P965 HydrophobicContact CE3-CB 4.4Å; W904-P965 HydrophobicContact CZ2-CB 4.47Å; W904-Q970 HydrophobicContact CB-CG 4.34Å; W904-D971 PolarHBondContact N-O 3.43Å; W904-T972 HydrophobicContact CB-CG2 4.42Å; W904-T972 HydrophobicContact CD2-CG2 4.11Å; W904-T972 HydrophobicContact CE3-CG2 3.25Å; W904-T972 HydrophobicContact CZ3-CG2 3.77Å; W904-T972 WeakPolarHBondContact O-CA 3.46Å; W904-L973 PolarHBondContact O-N 2.79Å
905V93.7Very high78.1Confident0 Ų070.5 Ų70.50%039%0.393CS..EExtended strand (participates in β ladder)trans-84.996.1168.7-175.40000107.4R945 L948 V949 L952 V961 A962 L973V905-R945 HydrophobicContact CG1-CG 4.14Å; V905-L948 HydrophobicContact CG1-CD2 3.96Å; V905-V949 HydrophobicContact CB-CG2 3.9Å; V905-V949 HydrophobicContact CG1-CG2 4.45Å; V905-V949 HydrophobicContact CG2-CG2 3.75Å; V905-L952 HydrophobicContact CG2-CD1 4.14Å; V905-V961 HydrophobicContact CG2-CG1 4.01Å; V905-A962 PolarHBondContact N-O 3.44Å; V905-L973 HydrophobicContact CG2-CD2 4.38Å
906E91Very high80.5Confident75 Ų7566.1 Ų66.135%0.3537%0.373SS..EExtended strand (participates in β ladder)trans-68.8-54.8-171.1172.1177.9-158.800111.3W904 L973 N974W904-E906 HydrophobicContact CD2-CB 4.19Å; W904-E906 HydrophobicContact CE3-CB 4.39Å; W904-E906 HydrophobicContact CH2-CB 4.06Å; W904-E906 HydrophobicContact CH2-CG 3.7Å; W904-E906 HydrophobicContact CZ2-CB 3.87Å; W904-E906 HydrophobicContact CZ2-CG 3.75Å; W904-E906 HydrophobicContact CZ3-CB 4.32Å; W904-E906 HydrophobicContact CZ3-CG 4.28Å; W904-E906 PolarHBondContact O-N 2.76Å; E906-L973 PolarHBondContact N-O 3Å; E906-N974 WeakPolarHBondContact CB-OD1 3.34Å; E906-N974 PolarHBondContact OE2-ND2 2.83Å; E906-N974 PolarHBondContact OE2-OD1 3.35Å
907Q90Very high82.8Confident93 Ų9365.6 Ų65.644%0.43536%0.355SS..EExtended strand (participates in β ladder)trans-152.6152.9175.653.1-179.2-21.900112.7T909 N974 V975Q907-T909 HydrophobicContact CG-CG2 4.31Å; Q907-N974 WeakPolarHBondContact CG-OD1 3.41Å; Q907-N974 PolarHBondContact N-OD1 2.99Å; Q907-V975 PolarHBondContact O-N 2.81Å
908V94.1Very high85.3Confident7 Ų761.1 Ų61.14%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-114.4117.2162.6-178.70000106.5D941 L944 R945 L948 V975 V977V908-D941 WeakPolarHBondContact O-CB 3.5Å; V908-L944 HydrophobicContact CG1-CB 3.83Å; V908-L944 HydrophobicContact CG1-CD1 4.2Å; V908-R945 HydrophobicContact CB-CB 4.29Å; V908-R945 HydrophobicContact CG2-CB 3.77Å; V908-R945 HydrophobicContact CG2-CG 4.28Å; V908-L948 HydrophobicContact CG2-CD2 4.27Å; V908-V975 CarbonylContact C-O 3.59Å; V908-V975 VanDerWaalsContact CA-O 3.25Å; V908-V975 WeakPolarHBondContact CA-O 3.39Å; V908-V975 HydrophobicContact CG1-CB 4.48Å; V908-V975 HydrophobicContact CG2-CB 4.29Å; V908-V977 HydrophobicContact CG1-CG2 4.08Å
909T94.5Very high87.4Confident47 Ų4751.9 Ų51.929%0.28828%0.281SS..EExtended strand (participates in β ladder)trans-103.3140.2-179.450.70000110.9Q907 V975 T976 V977Q907-T909 HydrophobicContact CG-CG2 4.31Å; T909-V975 PolarHBondContact N-O 2.73Å; T909-V975 PolarHBondContact OG1-O 3.43Å; T909-T976 WeakPolarHBondContact OG1-CA 3.28Å; T909-T976 PolarHBondContact OG1-OG1 2.96Å; T909-V977 PolarHBondContact O-N 3.07Å
910V95.4Very high89.5Confident26 Ų2651 Ų5116%0.15827%0.272CS..  trans-129147.8176.3-61.10000109.3L914 A915 D941 L944 V977V910-L914 HydrophobicContact CB-CB 4.04Å; V910-L914 HydrophobicContact CG2-CB 4.36Å; V910-A915 HydrophobicContact CG2-CB 4.12Å; V910-D941 HydrophobicContact CG1-CB 4.38Å; V910-D941 HydrophobicContact CG2-CB 4.14Å; V910-L944 HydrophobicContact CG1-CD1 3.93Å; V910-V977 HydrophobicContact CG1-CB 4.22Å
911P93.4Very high90.7Very high45 Ų4546.2 Ų46.229%0.29224%0.242SC..  trans-66.8156.7173.326.7-35.5000112.3Y913 L914 A915 V977P911-Y913 HydrophobicContact CB-CD1 3.8Å; P911-Y913 HydrophobicContact CB-CE1 3.75Å; P911-Y913 HydrophobicContact CG-CD1 3.74Å; P911-Y913 HydrophobicContact CG-CE1 3.25Å; P911-Y913 PolarHBondContact O-N 2.95Å; P911-L914 HydrophobicContact CG-CB 4.39Å; P911-L914 HydrophobicContact CG-CD1 3.92Å; P911-L914 HydrophobicContact CG-CG 4.19Å; P911-L914 WeakPolarHBondContact O-CA 3.49Å; P911-L914 WeakPolarHBondContact O-CB 3.45Å; P911-L914 PolarHBondContact O-N 3.36Å; P911-A915 PolarHBondContact O-N 3.1Å; P911-V977 WeakPolarHBondContact CD-O 3.42Å
912D88.2Confident91.2Very high151 Ų15141.7 Ų41.781%0.80723%0.225SC*.Hα-helixtrans-52.8-34.9-172.8-63-18000114.4L914 A915D912-L914 VanDerWaalsContact C-N 3.27Å; D912-L914 PolarHBondContact O-N 2.94Å; D912-A915 PolarHBondContact O-N 3.21Å
913Y90Very high91.1Very high72 Ų7242.2 Ų42.228%0.28223%0.23SC..Hα-helixtrans-69.7-23.4179.281.4-90.4000113.4P911 V920 Y928 T978P911-Y913 HydrophobicContact CB-CD1 3.8Å; P911-Y913 HydrophobicContact CB-CE1 3.75Å; P911-Y913 HydrophobicContact CG-CD1 3.74Å; P911-Y913 HydrophobicContact CG-CE1 3.25Å; P911-Y913 PolarHBondContact O-N 2.95Å; Y913-V920 HydrophobicContact CD2-CG1 4.03Å; Y913-V920 HydrophobicContact CD2-CG2 4.36Å; Y913-V920 HydrophobicContact CE2-CG1 4.03Å; Y913-V920 WeakPolarHBondContact O-CG2 3.26Å; Y913-Y928 HydrophobicContact CE2-CD1 4.27Å; Y913-Y928 HydrophobicContact CE2-CE1 4.48Å; Y913-T978 PolarHBondContact OH-O 3.15Å
914L92.7Very high90.9Very high1 Ų144.1 Ų44.11%0.00524%0.243CC..Hα-helixtrans-93.8-18.8172.3-69.4178.6000112.5V910 P911 D912 G916 V920 L940 F980V910-L914 HydrophobicContact CB-CB 4.04Å; V910-L914 HydrophobicContact CG2-CB 4.36Å; P911-L914 HydrophobicContact CG-CB 4.39Å; P911-L914 HydrophobicContact CG-CD1 3.92Å; P911-L914 HydrophobicContact CG-CG 4.19Å; P911-L914 WeakPolarHBondContact O-CA 3.49Å; P911-L914 WeakPolarHBondContact O-CB 3.45Å; P911-L914 PolarHBondContact O-N 3.36Å; D912-L914 VanDerWaalsContact C-N 3.27Å; D912-L914 PolarHBondContact O-N 2.94Å; L914-G916 PolarHBondContact O-N 3.12Å; L914-V920 HydrophobicContact CD2-CB 3.94Å; L914-V920 HydrophobicContact CD2-CG1 4.46Å; L914-V920 HydrophobicContact CD2-CG2 3.74Å; L914-L940 HydrophobicContact CB-CD2 4.26Å; L914-L940 HydrophobicContact CD2-CD2 4.47Å; L914-F980 HydrophobicContact CD1-CB 3.98Å; L914-F980 HydrophobicContact CD2-CB 4.35Å
915A86.6Confident90.4Very high46 Ų4647.2 Ų47.238%0.3826%0.264SS..Hα-helixtrans-72.1-17179.400000113.2V910 P911 D912V910-A915 HydrophobicContact CG2-CB 4.12Å; P911-A915 PolarHBondContact O-N 3.1Å; D912-A915 PolarHBondContact O-N 3.21Å
916G84.9Confident90Very high33 Ų3353.4 Ų53.434%0.3430%0.301SS..SBendtrans-67.9161.717400000113.4L914 G918L914-G916 PolarHBondContact O-N 3.12Å; G916-G918 PolarHBondContact O-N 2.75Å
917N86.3Confident89.7Confident101 Ų10155.8 Ų55.854%0.5431%0.31SS..SBendtrans-71.6-13.6179.9-70.7-18000113.7L935 W936N917-L935 HydrophobicContact CB-CD2 4.21Å; N917-L935 CarbonylContact O-C 3.58Å; N917-L935 WeakPolarHBondContact O-CA 3.44Å; N917-L935 WeakPolarHBondContact O-CB 3.44Å; N917-W936 PolarHBondContact O-N 2.85Å
918G90.5Very high89.7Confident6 Ų655.4 Ų55.46%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-86.7141-175.800000113.4G916 V920 A931G916-G918 PolarHBondContact O-N 2.75Å; G918-V920 PolarHBondContact O-N 2.86Å; G918-A931 VanDerWaalsContact CA-O 3.25Å; G918-A931 WeakPolarHBondContact CA-O 3.18Å
919V92.1Very high89.4Confident1 Ų158 Ų581%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-67.8130.3172.2-1770000109.4Y883 A931 N934 W936 Y1018 M1021Y883-V919 HydrophobicContact CD2-CG2 4.14Å; V919-A931 VanDerWaalsContact O-CB 3.3Å; V919-A931 WeakPolarHBondContact O-CB 3.41Å; V919-A931 PolarHBondContact O-N 2.98Å; V919-N934 WeakPolarHBondContact CG2-O 3.17Å; V919-N934 PolarHBondContact N-O 3.44Å; V919-W936 HydrophobicContact CG1-CZ2 4.18Å; V919-W936 HydrophobicContact CG2-CD2 4.15Å; V919-W936 HydrophobicContact CG2-CZ2 4.11Å; V919-Y1018 HydrophobicContact CB-CD1 4Å; V919-Y1018 HydrophobicContact CB-CE1 3.99Å; V919-Y1018 HydrophobicContact CG1-CD1 3.89Å; V919-Y1018 HydrophobicContact CG1-CE1 4.04Å; V919-M1021 HydrophobicContact CB-CE 4.5Å; V919-M1021 HydrophobicContact CG1-CE 3.23Å
920V93.6Very high89.3Confident2 Ų259.4 Ų59.41%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-93.9138.5-173.7-176.60000111.7Y913 L914 G918 Y928 I930 N981 G982Y913-V920 HydrophobicContact CD2-CG1 4.03Å; Y913-V920 HydrophobicContact CD2-CG2 4.36Å; Y913-V920 HydrophobicContact CE2-CG1 4.03Å; Y913-V920 WeakPolarHBondContact O-CG2 3.26Å; L914-V920 HydrophobicContact CD2-CB 3.94Å; L914-V920 HydrophobicContact CD2-CG1 4.46Å; L914-V920 HydrophobicContact CD2-CG2 3.74Å; G918-V920 PolarHBondContact O-N 2.86Å; V920-Y928 HydrophobicContact CG1-CD1 3.97Å; V920-I930 HydrophobicContact CG2-CG1 4.16Å; V920-N981 HydrophobicContact CB-CB 4.08Å; V920-N981 HydrophobicContact CG1-CB 4.04Å; V920-N981 WeakPolarHBondContact O-CA 3.4Å; V920-N981 VanDerWaalsContact O-CB 3.23Å; V920-N981 WeakPolarHBondContact O-CB 3.47Å; V920-G982 PolarHBondContact O-N 3.11Å
921Y91.3Very high89Confident67 Ų6758.6 Ų58.626%0.26332%0.322SS..EExtended strand (participates in β ladder)trans-134.2130.7176.9-172.1-93.3000111.2T923 Y928 V929 R983 Y984 M1021Y921-T923 HydrophobicContact CD1-CG2 3.82Å; Y921-T923 HydrophobicContact CE1-CG2 4.16Å; Y921-Y928 CarbonylContact O-C 3.55Å; Y921-Y928 WeakPolarHBondContact O-CA 3.45Å; Y921-V929 PolarHBondContact N-O 3.36Å; Y921-V929 PolarHBondContact O-N 3.44Å; Y921-R983 PolarHBondContact OH-O 2.94Å; Y921-Y984 WeakPolarHBondContact OH-CA 3.41Å; Y921-M1021 HydrophobicContact CD2-SD 3.96Å
922Q92.4Very high88.4Confident8 Ų862.1 Ų62.14%0.03734%0.339CS..EExtended strand (participates in β ladder)trans-90.2111.6178.2-177.4177.11200110.2S924 D925 K927 Y928 G982 R983 Y984Q922-S924 WeakPolarHBondContact CG-O 3.44Å; Q922-S924 PolarHBondContact NE2-O 2.95Å; Q922-D925 PolarHBondContact NE2-O 3.03Å; Q922-K927 CarbonylContact C-O 3.6Å; Q922-Y928 HydrophobicContact CB-CD1 3.82Å; Q922-Y928 HydrophobicContact CB-CE1 3.78Å; Q922-Y928 HydrophobicContact CG-CD1 4.18Å; Q922-Y928 HydrophobicContact CG-CE1 3.93Å; Q922-G982 WeakPolarHBondContact CB-O 3.4Å; Q922-G982 PolarHBondContact N-O 2.81Å; Q922-R983 HydrophobicContact CB-CG 4.13Å; Q922-R983 CarbonylContact O-C 3.54Å; Q922-R983 VanDerWaalsContact OE1-CG 3.3Å; Q922-Y984 PolarHBondContact O-N 2.86Å
923T88.6Confident88.3Confident55 Ų5558 Ų5834%0.33732%0.317SS..EExtended strand (participates in β ladder)trans-89.3-18.9-177.755.40000114.4Y921 K927 V929Y921-T923 HydrophobicContact CD1-CG2 3.82Å; Y921-T923 HydrophobicContact CE1-CG2 4.16Å; T923-K927 PolarHBondContact N-O 2.87Å; T923-K927 WeakPolarHBondContact OG1-CD 3.36Å; T923-K927 WeakPolarHBondContact OG1-CG 3.5Å; T923-K927 PolarHBondContact OG1-O 2.92Å; T923-K927 VanDerWaalsContact OG1-O 3.1Å; T923-V929 HydrophobicContact CG2-CB 4.2Å; T923-V929 HydrophobicContact CG2-CG2 3.53Å
924S86.7Confident88.3Confident40 Ų4055.7 Ų55.728%0.2831%0.309SS..EExtended strand (participates in β ladder)trans-155.2175.4171.175.90000109.9Q922 V926 K927Q922-S924 WeakPolarHBondContact CG-O 3.44Å; Q922-S924 PolarHBondContact NE2-O 2.95Å; S924-V926 PolarHBondContact O-N 2.91Å; S924-V926 PolarHBondContact OG-N 2.88Å; S924-K927 PolarHBondContact N-O 3.03Å; S924-K927 PolarHBondContact O-N 3.04Å; S924-K927 WeakPolarHBondContact OG-CB 3.24Å; S924-K927 PolarHBondContact OG-N 3.19Å
925D82.8Confident88.2Confident116 Ų11656.7 Ų56.762%0.6231%0.314SS*.THydrogen-bonded Turntrans-49.8-24.3178.4-41.3-9000113.6Q922 Y984Q922-D925 PolarHBondContact NE2-O 3.03Å; D925-Y984 VanDerWaalsContact OD1-CZ 3.25Å; D925-Y984 PolarHBondContact OD1-OH 3.01Å
926V84.3Confident88.5Confident130 Ų13054.8 Ų54.879%0.78830%0.297SS*.THydrogen-bonded Turntrans-130.73.5-175.7-64.20000114.3S924S924-V926 PolarHBondContact O-N 2.91Å; S924-V926 PolarHBondContact OG-N 2.88Å
927K85.1Confident88.8Confident125 Ų12555.6 Ų55.654%0.54330%0.301SS..EExtended strand (participates in β ladder)trans-125117.6-173.1-170.1179.8177.3-1780112.5Q922 T923 S924Q922-K927 CarbonylContact C-O 3.6Å; T923-K927 PolarHBondContact N-O 2.87Å; T923-K927 WeakPolarHBondContact OG1-CD 3.36Å; T923-K927 WeakPolarHBondContact OG1-CG 3.5Å; T923-K927 PolarHBondContact OG1-O 2.92Å; T923-K927 VanDerWaalsContact OG1-O 3.1Å; S924-K927 PolarHBondContact N-O 3.03Å; S924-K927 PolarHBondContact O-N 3.04Å; S924-K927 WeakPolarHBondContact OG-CB 3.24Å; S924-K927 PolarHBondContact OG-N 3.19Å
928Y89.9Confident88.9Confident84 Ų8452.5 Ų52.533%0.32929%0.287SS..EExtended strand (participates in β ladder)trans-104145.6171.8-61.2-95.3000110.5Y913 V920 Y921 Q922 E979Y913-Y928 HydrophobicContact CE2-CD1 4.27Å; Y913-Y928 HydrophobicContact CE2-CE1 4.48Å; V920-Y928 HydrophobicContact CG1-CD1 3.97Å; Y921-Y928 CarbonylContact O-C 3.55Å; Y921-Y928 WeakPolarHBondContact O-CA 3.45Å; Q922-Y928 HydrophobicContact CB-CD1 3.82Å; Q922-Y928 HydrophobicContact CB-CE1 3.78Å; Q922-Y928 HydrophobicContact CG-CD1 4.18Å; Q922-Y928 HydrophobicContact CG-CE1 3.93Å; Y928-E979 PolarHBondContact OH-OE1 2.81Å
929V89.1Confident88.9Confident62 Ų6254.9 Ų54.938%0.37630%0.302SS..EExtended strand (participates in β ladder)trans-126.5129.4176.91770000107.7Y921 T923Y921-V929 PolarHBondContact N-O 3.36Å; Y921-V929 PolarHBondContact O-N 3.44Å; T923-V929 HydrophobicContact CG2-CB 4.2Å; T923-V929 HydrophobicContact CG2-CG2 3.53Å
930I92.3Very high89Confident77 Ų7754.9 Ų54.940%0.39530%0.302SS..EExtended strand (participates in β ladder)trans-99.3126.7178.7-54.8176.8000107.7V920V920-I930 HydrophobicContact CG2-CG1 4.16Å
931A88.2Confident89Confident9 Ų957.2 Ų57.27%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-74.1132.5-177.300000112.4G918 V919 N934 Y1018G918-A931 VanDerWaalsContact CA-O 3.25Å; G918-A931 WeakPolarHBondContact CA-O 3.18Å; V919-A931 VanDerWaalsContact O-CB 3.3Å; V919-A931 WeakPolarHBondContact O-CB 3.41Å; V919-A931 PolarHBondContact O-N 2.98Å; A931-N934 HydrophobicContact CB-CB 3.95Å; A931-Y1018 HydrophobicContact CB-CE1 3.85Å
932N81.8Confident89Confident118 Ų11857.9 Ų57.963%0.63132%0.319SS*.EExtended strand (participates in β ladder)trans-84-24.5178.2-69.3-20.4000113.7
933N85.1Confident89Confident66 Ų6657.8 Ų57.835%0.35332%0.319SS..EExtended strand (participates in β ladder)trans-114.3-12.5-172.3-55.4-19.6000113.3I878 K880 N881I878-N933 HydrophobicContact CG2-CB 3.86Å; I878-N933 WeakPolarHBondContact CG2-ND2 3.42Å; I878-N933 WeakPolarHBondContact CG2-OD1 3.33Å; K880-N933 CarbonylContact C-O 3.38Å; K880-N933 WeakPolarHBondContact CA-O 2.82Å; N881-N933 PolarHBondContact N-O 3.14Å
934N89.8Confident89.3Confident22 Ų2255.2 Ų55.212%0.11830%0.303CS..EExtended strand (participates in β ladder)trans-114.596177.7-62.3-62.3000106N881 Y883 V919 A931 Y1018N881-N934 PolarHBondContact ND2-OD1 3Å; N881-N934 VanDerWaalsContact ND2-OD1 3.15Å; Y883-N934 HydrophobicContact CD2-CB 4.07Å; Y883-N934 HydrophobicContact CE2-CB 3.55Å; Y883-N934 WeakPolarHBondContact CE2-OD1 3.34Å; Y883-N934 PolarHBondContact OH-OD1 3.08Å; V919-N934 WeakPolarHBondContact CG2-O 3.17Å; V919-N934 PolarHBondContact N-O 3.44Å; A931-N934 HydrophobicContact CB-CB 3.95Å; N934-Y1018 HydrophobicContact CB-CD1 3.66Å; N934-Y1018 HydrophobicContact CB-CD2 4.2Å; N934-Y1018 HydrophobicContact CB-CE1 3.85Å; N934-Y1018 HydrophobicContact CB-CE2 4.38Å; N934-Y1018 HydrophobicContact CB-CG 3.86Å; N934-Y1018 WeakPolarHBondContact ND2-CD2 3.35Å; N934-Y1018 WeakPolarHBondContact ND2-CE2 3.04Å
935L91.3Very high89.6Confident22 Ų2256.3 Ų56.312%0.11530%0.301CS..EExtended strand (participates in β ladder)trans-109.3150.6-169.4-58.4172.9000109.9K880 N881 Y882 Y883 N917K880-L935 HydrophobicContact CB-CD1 4.41Å; K880-L935 HydrophobicContact CD-CD1 4.03Å; K880-L935 HydrophobicContact CG-CD1 4.35Å; N881-L935 PolarHBondContact O-N 3.19Å; Y882-L935 CarbonylContact C-O 3.49Å; Y882-L935 VanDerWaalsContact CA-O 3.29Å; Y882-L935 WeakPolarHBondContact CA-O 3.47Å; Y882-L935 HydrophobicContact CD1-CB 4.06Å; Y882-L935 HydrophobicContact CE1-CB 4.17Å; Y882-L935 HydrophobicContact CE1-CD1 3.96Å; Y883-L935 PolarHBondContact N-O 2.88Å; N917-L935 HydrophobicContact CB-CD2 4.21Å; N917-L935 CarbonylContact O-C 3.58Å; N917-L935 WeakPolarHBondContact O-CA 3.44Å; N917-L935 WeakPolarHBondContact O-CB 3.44Å
936W93.6Very high90Very high7 Ų754.3 Ų54.33%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-69.8136164.8-65.2116.5000110Y883 L885 N917 V919 S938 L940 F980 V1022Y883-W936 CarbonylContact O-C 3.56Å; Y883-W936 WeakPolarHBondContact O-CA 3.35Å; L885-W936 HydrophobicContact CD2-CH2 4.23Å; L885-W936 HydrophobicContact CD2-CZ3 4.1Å; L885-W936 HydrophobicContact CG-CZ3 4.19Å; N917-W936 PolarHBondContact O-N 2.85Å; V919-W936 HydrophobicContact CG1-CZ2 4.18Å; V919-W936 HydrophobicContact CG2-CD2 4.15Å; V919-W936 HydrophobicContact CG2-CZ2 4.11Å; W936-S938 WeakPolarHBondContact CB-O 3.44Å; W936-S938 PolarHBondContact O-N 3.21Å; W936-L940 HydrophobicContact CD2-CD1 4.12Å; W936-L940 HydrophobicContact CE3-CD1 4.4Å; W936-L940 HydrophobicContact CG-CB 4.5Å; W936-L940 HydrophobicContact CH2-CD1 4.16Å; W936-L940 HydrophobicContact CZ2-CD1 3.83Å; W936-L940 HydrophobicContact CZ2-CD2 4.42Å; W936-L940 HydrophobicContact CZ3-CD1 4.43Å; W936-F980 HydrophobicContact CH2-CD1 4.46Å; W936-F980 AromaticContact CH2-CE1 3.82Å; W936-F980 HydrophobicContact CH2-CE1 3.82Å; W936-F980 HydrophobicContact CZ2-CD1 4.14Å; W936-F980 AromaticContact CZ2-CE1 3.96Å; W936-F980 HydrophobicContact CZ2-CE1 3.96Å; W936-V1022 HydrophobicContact CH2-CG1 4.48Å; W936-V1022 HydrophobicContact CH2-CG2 4.07Å; W936-V1022 HydrophobicContact CZ3-CG1 4.17Å; W936-V1022 HydrophobicContact CZ3-CG2 4.23Å
937A89.8Confident90.4Very high50 Ų5048.4 Ų48.441%0.41326%0.255SS..SBendtrans-68-20.4178.600000113.6Y883 Q884Y883-A937 PolarHBondContact O-N 2.67Å; Q884-A937 HydrophobicContact CB-CB 4.21Å
938S88.4Confident90.8Very high36 Ų3642.5 Ų42.525%0.25223%0.229SC..SBendtrans-152.9162.617449.80000108.7W936 L940 Q943W936-S938 WeakPolarHBondContact CB-O 3.44Å; W936-S938 PolarHBondContact O-N 3.21Å; S938-L940 PolarHBondContact O-N 3.31Å; S938-Q943 PolarHBondContact O-NE2 3.23Å; S938-Q943 WeakPolarHBondContact OG-CG 3.37Å; S938-Q943 PolarHBondContact OG-NE2 2.96Å
939P92Very high90.9Very high56 Ų5639.6 Ų39.636%0.36422%0.22SC..  trans-48.3133.1178.8-29.336.9000112.4D941 Q942 Q943P939-D941 VanDerWaalsContact C-N 3.3Å; P939-D941 WeakPolarHBondContact CB-OD1 3.39Å; P939-D941 PolarHBondContact O-N 2.89Å; P939-Q942 HydrophobicContact CB-CB 4.39Å; P939-Q942 WeakPolarHBondContact O-CB 3.34Å; P939-Q942 PolarHBondContact O-N 2.61Å; P939-Q943 PolarHBondContact O-N 2.94Å; P939-Q943 VanDerWaalsContact O-N 3.08Å
940L93.7Very high90.9Very high1 Ų137.9 Ų37.91%0.00521%0.212CC..Hα-helixtrans-60.5-39.5-170.3176.560.2000112.1L885 L914 W936 S938 Q942 Q943 L944 F980L885-L940 HydrophobicContact CD1-CD1 4.35Å; L914-L940 HydrophobicContact CB-CD2 4.26Å; L914-L940 HydrophobicContact CD2-CD2 4.47Å; W936-L940 HydrophobicContact CD2-CD1 4.12Å; W936-L940 HydrophobicContact CE3-CD1 4.4Å; W936-L940 HydrophobicContact CG-CB 4.5Å; W936-L940 HydrophobicContact CH2-CD1 4.16Å; W936-L940 HydrophobicContact CZ2-CD1 3.83Å; W936-L940 HydrophobicContact CZ2-CD2 4.42Å; W936-L940 HydrophobicContact CZ3-CD1 4.43Å; S938-L940 PolarHBondContact O-N 3.31Å; L940-Q942 VanDerWaalsContact C-N 3.3Å; L940-Q942 PolarHBondContact O-N 2.87Å; L940-Q943 PolarHBondContact O-N 2.79Å; L940-L944 HydrophobicContact CD1-CD1 4.13Å; L940-L944 HydrophobicContact CD1-CG 4.01Å; L940-L944 HydrophobicContact CD2-CD1 4.48Å; L940-L944 HydrophobicContact CG-CD1 3.83Å; L940-L944 HydrophobicContact CG-CG 4.22Å; L940-L944 WeakPolarHBondContact O-CB 3.49Å; L940-L944 VanDerWaalsContact O-CG 3.23Å; L940-L944 WeakPolarHBondContact O-CG 3.38Å; L940-L944 PolarHBondContact O-N 2.96Å; L940-F980 HydrophobicContact CD1-CD1 3.91Å; L940-F980 HydrophobicContact CD1-CE1 3.84Å; L940-F980 HydrophobicContact CD2-CB 4.26Å; L940-F980 HydrophobicContact CD2-CD1 3.81Å; L940-F980 HydrophobicContact CD2-CG 4.25Å; L940-F980 HydrophobicContact CG-CD1 4.44Å
941D93.3Very high90.8Very high51 Ų5135.2 Ų35.227%0.27320%0.199SC..Hα-helixtrans-54.8-43172.461.9-49.1000112.5V908 V910 P939 L944 R945V908-D941 WeakPolarHBondContact O-CB 3.5Å; V910-D941 HydrophobicContact CG1-CB 4.38Å; V910-D941 HydrophobicContact CG2-CB 4.14Å; P939-D941 VanDerWaalsContact C-N 3.3Å; P939-D941 WeakPolarHBondContact CB-OD1 3.39Å; P939-D941 PolarHBondContact O-N 2.89Å; D941-L944 PolarHBondContact O-N 2.91Å; D941-R945 WeakPolarHBondContact O-CB 3.33Å; D941-R945 PolarHBondContact O-N 3.29Å
942Q90.6Very high91Very high80 Ų8034.8 Ų34.837%0.37420%0.195SC..Hα-helixtrans-68.4-40.3177.3-174.6166.114.600111.8P939 L940 N946P939-Q942 HydrophobicContact CB-CB 4.39Å; P939-Q942 WeakPolarHBondContact O-CB 3.34Å; P939-Q942 PolarHBondContact O-N 2.61Å; L940-Q942 VanDerWaalsContact C-N 3.3Å; L940-Q942 PolarHBondContact O-N 2.87Å; Q942-N946 WeakPolarHBondContact O-CB 3.42Å; Q942-N946 PolarHBondContact O-N 2.94Å; Q942-N946 PolarHBondContact O-ND2 2.87Å
943Q92.6Very high91.3Very high7 Ų732.1 Ų32.13%0.03319%0.186CC..Hα-helixtrans-65.4-43.7175.6-63.2-165.744.300112.2Q884 L885 S938 P939 L940 N946 T947Q884-Q943 VanDerWaalsContact CA-OE1 3.25Å; L885-Q943 HydrophobicContact CD1-CB 3.98Å; L885-Q943 HydrophobicContact CG-CB 4.4Å; S938-Q943 PolarHBondContact O-NE2 3.23Å; S938-Q943 WeakPolarHBondContact OG-CG 3.37Å; S938-Q943 PolarHBondContact OG-NE2 2.96Å; P939-Q943 PolarHBondContact O-N 2.94Å; P939-Q943 VanDerWaalsContact O-N 3.08Å; L940-Q943 PolarHBondContact O-N 2.79Å; Q943-N946 PolarHBondContact O-N 2.86Å; Q943-T947 WeakPolarHBondContact O-CB 3.34Å; Q943-T947 WeakPolarHBondContact O-CG2 3.4Å; Q943-T947 PolarHBondContact O-N 3.37Å; Q943-T947 PolarHBondContact O-OG1 3.36Å
944L94.4Very high91.3Very high0 Ų032.6 Ų32.60%019%0.191CC..Hα-helixtrans-62.5-43.3176.7-71169000111.2L885 V908 V910 L940 D941 T947 L948 V977 F980 W1029L885-L944 HydrophobicContact CD1-CD2 3.82Å; L885-L944 HydrophobicContact CD1-CG 4.26Å; V908-L944 HydrophobicContact CG1-CB 3.83Å; V908-L944 HydrophobicContact CG1-CD1 4.2Å; V910-L944 HydrophobicContact CG1-CD1 3.93Å; L940-L944 HydrophobicContact CD1-CD1 4.13Å; L940-L944 HydrophobicContact CD1-CG 4.01Å; L940-L944 HydrophobicContact CD2-CD1 4.48Å; L940-L944 HydrophobicContact CG-CD1 3.83Å; L940-L944 HydrophobicContact CG-CG 4.22Å; L940-L944 WeakPolarHBondContact O-CB 3.49Å; L940-L944 VanDerWaalsContact O-CG 3.23Å; L940-L944 WeakPolarHBondContact O-CG 3.38Å; L940-L944 PolarHBondContact O-N 2.96Å; D941-L944 PolarHBondContact O-N 2.91Å; L944-T947 WeakPolarHBondContact CA-OG1 3.31Å; L944-T947 PolarHBondContact O-OG1 3.37Å; L944-L948 WeakPolarHBondContact O-CB 3.27Å; L944-L948 PolarHBondContact O-N 2.79Å; L944-V977 HydrophobicContact CD1-CB 4.5Å; L944-V977 HydrophobicContact CD1-CG2 4.15Å; L944-F980 HydrophobicContact CD2-CD2 4.02Å; L944-F980 HydrophobicContact CD2-CE2 3.56Å; L944-F980 HydrophobicContact CD2-CZ 3.87Å; L944-W1029 HydrophobicContact CB-CZ2 3.86Å; L944-W1029 HydrophobicContact CD2-CD2 3.69Å; L944-W1029 HydrophobicContact CD2-CE3 4.15Å; L944-W1029 HydrophobicContact CD2-CG 4.02Å; L944-W1029 HydrophobicContact CD2-CH2 4.32Å; L944-W1029 HydrophobicContact CD2-CZ2 3.9Å; L944-W1029 HydrophobicContact CD2-CZ3 4.45Å; L944-W1029 HydrophobicContact CG-CZ2 4.43Å; L944-W1029 PolarHBondContact O-NE1 2.96Å
945R93.9Very high91.3Very high64 Ų6434 Ų3424%0.24220%0.197CC..Hα-helixtrans-61.4-47.6175-173.9176.462.5-150.1-6.7112V905 V908 D941 L948 V949V905-R945 HydrophobicContact CG1-CG 4.14Å; V908-R945 HydrophobicContact CB-CB 4.29Å; V908-R945 HydrophobicContact CG2-CB 3.77Å; V908-R945 HydrophobicContact CG2-CG 4.28Å; D941-R945 WeakPolarHBondContact O-CB 3.33Å; D941-R945 PolarHBondContact O-N 3.29Å; R945-L948 PolarHBondContact O-N 3.12Å; R945-V949 WeakPolarHBondContact O-CG2 3.4Å; R945-V949 PolarHBondContact O-N 2.93Å
946N90.7Very high91.1Very high74 Ų7433 Ų3340%0.39619%0.192SC..Hα-helixtrans-65.3-43.1-178.4-71.1-11.4000112.2Q942 Q943 A950Q942-N946 WeakPolarHBondContact O-CB 3.42Å; Q942-N946 PolarHBondContact O-N 2.94Å; Q942-N946 PolarHBondContact O-ND2 2.87Å; Q943-N946 PolarHBondContact O-N 2.86Å; N946-A950 WeakPolarHBondContact O-CB 3.28Å; N946-A950 PolarHBondContact O-N 3.14Å
947T92.3Very high90.5Very high6 Ų637.9 Ų37.94%0.03722%0.224CC..Hα-helixtrans-67.5-36.4176.147.70000112.1L885 V887 Q943 L944 A950 N951 W1029L885-T947 HydrophobicContact CB-CG2 3.77Å; L885-T947 HydrophobicContact CD1-CG2 4.5Å; V887-T947 HydrophobicContact CG2-CG2 4.01Å; Q943-T947 WeakPolarHBondContact O-CB 3.34Å; Q943-T947 WeakPolarHBondContact O-CG2 3.4Å; Q943-T947 PolarHBondContact O-N 3.37Å; Q943-T947 PolarHBondContact O-OG1 3.36Å; L944-T947 WeakPolarHBondContact CA-OG1 3.31Å; L944-T947 PolarHBondContact O-OG1 3.37Å; T947-A950 PolarHBondContact O-N 3.39Å; T947-N951 WeakPolarHBondContact O-CB 2.95Å; T947-N951 PolarHBondContact O-N 2.66Å; T947-N951 PolarHBondContact O-ND2 2.87Å; T947-N951 VanDerWaalsContact O-ND2 3.16Å; T947-W1029 PolarHBondContact OG1-NE1 3.49Å
948L93.5Very high90Very high1 Ų137.7 Ų37.71%0.00523%0.228CC..Hα-helixtrans-64.7-48.1174.8-176.764.3000111.5V905 V908 L944 R945 A950 N951 L952 L973 V975 W1029 A1033 I1036V905-L948 HydrophobicContact CG1-CD2 3.96Å; V908-L948 HydrophobicContact CG2-CD2 4.27Å; L944-L948 WeakPolarHBondContact O-CB 3.27Å; L944-L948 PolarHBondContact O-N 2.79Å; R945-L948 PolarHBondContact O-N 3.12Å; L948-A950 VanDerWaalsContact C-N 3.33Å; L948-A950 PolarHBondContact O-N 2.95Å; L948-N951 PolarHBondContact O-N 3.42Å; L948-L952 HydrophobicContact CD1-CD1 3.93Å; L948-L952 HydrophobicContact CD1-CG 4.06Å; L948-L952 HydrophobicContact CG-CD1 3.82Å; L948-L952 HydrophobicContact CG-CG 4.33Å; L948-L952 VanDerWaalsContact O-CB 3.31Å; L948-L952 WeakPolarHBondContact O-CB 3.45Å; L948-L952 VanDerWaalsContact O-CG 3.25Å; L948-L952 WeakPolarHBondContact O-CG 3.31Å; L948-L952 PolarHBondContact O-N 2.84Å; L948-L973 HydrophobicContact CD2-CD2 4.21Å; L948-V975 HydrophobicContact CD2-CG2 3.69Å; L948-W1029 HydrophobicContact CB-CZ2 4.04Å; L948-W1029 HydrophobicContact CD1-CZ2 4.39Å; L948-W1029 HydrophobicContact CD2-CZ2 4.31Å; L948-W1029 HydrophobicContact CG-CZ2 4.49Å; L948-A1033 HydrophobicContact CD1-CB 3.85Å; L948-I1036 HydrophobicContact CD1-CD1 4.16Å
949V92.3Very high90Very high23 Ų2337.6 Ų37.614%0.13922%0.222CC..Hα-helixtrans-58.6-45.6175.9169.50000110.9V905 R945 S953 V961V905-V949 HydrophobicContact CB-CG2 3.9Å; V905-V949 HydrophobicContact CG1-CG2 4.45Å; V905-V949 HydrophobicContact CG2-CG2 3.75Å; R945-V949 WeakPolarHBondContact O-CG2 3.4Å; R945-V949 PolarHBondContact O-N 2.93Å; V949-S953 VanDerWaalsContact O-CB 3.25Å; V949-S953 WeakPolarHBondContact O-CB 3.46Å; V949-S953 PolarHBondContact O-N 3.3Å; V949-V961 HydrophobicContact CG1-CG1 4.26Å; V949-V961 HydrophobicContact CG2-CG1 4.49Å
950A89.6Confident89.7Confident26 Ų2637.9 Ų37.922%0.21522%0.223CC..Hα-helixtrans-61.5-50.3177.400000111.9V887 N946 T947 L948 L952 S953 T954V887-A950 HydrophobicContact CG1-CB 3.56Å; N946-A950 WeakPolarHBondContact O-CB 3.28Å; N946-A950 PolarHBondContact O-N 3.14Å; T947-A950 PolarHBondContact O-N 3.39Å; L948-A950 VanDerWaalsContact C-N 3.33Å; L948-A950 PolarHBondContact O-N 2.95Å; A950-L952 PolarHBondContact O-N 3.42Å; A950-S953 PolarHBondContact O-N 3.11Å; A950-T954 PolarHBondContact O-N 3.1Å; A950-T954 VanDerWaalsContact O-N 3.11Å; A950-T954 PolarHBondContact O-OG1 3.4Å
951N90.1Very high89.5Confident20 Ų2038.6 Ų38.611%0.10723%0.227CC..Hα-helixtrans-63.1-43.5-180-79-38.4000112.7T947 L948 T954 Q955 A1033T947-N951 WeakPolarHBondContact O-CB 2.95Å; T947-N951 PolarHBondContact O-N 2.66Å; T947-N951 PolarHBondContact O-ND2 2.87Å; T947-N951 VanDerWaalsContact O-ND2 3.16Å; L948-N951 PolarHBondContact O-N 3.42Å; N951-T954 PolarHBondContact O-N 3.01Å; N951-Q955 WeakPolarHBondContact O-CB 3.24Å; N951-Q955 WeakPolarHBondContact O-CG 3.4Å; N951-Q955 PolarHBondContact O-N 3.43Å; N951-A1033 HydrophobicContact CB-CB 3.57Å
952L91.7Very high89.4Confident0 Ų037 Ų370%022%0.221CC..Hα-helixtrans-64.7-41.7177.1-71.5175.4000111.5L903 V905 L948 A950 T954 Q955 L956 V961 L973 I1036 A1037L903-L952 HydrophobicContact CD2-CD1 4.05Å; V905-L952 HydrophobicContact CG2-CD1 4.14Å; L948-L952 HydrophobicContact CD1-CD1 3.93Å; L948-L952 HydrophobicContact CD1-CG 4.06Å; L948-L952 HydrophobicContact CG-CD1 3.82Å; L948-L952 HydrophobicContact CG-CG 4.33Å; L948-L952 VanDerWaalsContact O-CB 3.31Å; L948-L952 WeakPolarHBondContact O-CB 3.45Å; L948-L952 VanDerWaalsContact O-CG 3.25Å; L948-L952 WeakPolarHBondContact O-CG 3.31Å; L948-L952 PolarHBondContact O-N 2.84Å; A950-L952 PolarHBondContact O-N 3.42Å; L952-T954 VanDerWaalsContact C-N 3.28Å; L952-T954 PolarHBondContact O-N 3.02Å; L952-Q955 PolarHBondContact O-N 2.79Å; L952-L956 HydrophobicContact CB-CD1 4.38Å; L952-L956 HydrophobicContact CD2-CD1 4.29Å; L952-L956 VanDerWaalsContact O-CB 3.31Å; L952-L956 WeakPolarHBondContact O-CB 3.43Å; L952-L956 PolarHBondContact O-N 3.23Å; L952-V961 HydrophobicContact CB-CG1 3.99Å; L952-V961 HydrophobicContact CB-CG2 4.12Å; L952-V961 HydrophobicContact CD1-CG1 4.35Å; L952-L973 HydrophobicContact CD1-CD2 3.76Å; L952-I1036 HydrophobicContact CD2-CB 4.27Å; L952-I1036 HydrophobicContact CD2-CG2 3.9Å; L952-A1037 HydrophobicContact CD2-CB 4.04Å
953S88.6Confident89.2Confident63 Ų6335.7 Ų35.744%0.44122%0.22SC..Hα-helixtrans-60.5-37.1176.4-172.50000112.2V949 A950V949-S953 VanDerWaalsContact O-CB 3.25Å; V949-S953 WeakPolarHBondContact O-CB 3.46Å; V949-S953 PolarHBondContact O-N 3.3Å; A950-S953 PolarHBondContact O-N 3.11Å
954T86Confident88.8Confident76 Ų7642.2 Ų42.247%0.46625%0.251SS..Hα-helixtrans-75.2-33.2177.7-38.70000112A950 N951 L952A950-T954 PolarHBondContact O-N 3.1Å; A950-T954 VanDerWaalsContact O-N 3.11Å; A950-T954 PolarHBondContact O-OG1 3.4Å; N951-T954 PolarHBondContact O-N 3.01Å; L952-T954 VanDerWaalsContact C-N 3.28Å; L952-T954 PolarHBondContact O-N 3.02Å
955Q88.5Confident88.3Confident52 Ų5246.5 Ų46.524%0.24328%0.278CS..Hα-helixtrans-91.5-16-175-69-162.647.700114.9N951 L952 P957 A1034 A1037 K1041N951-Q955 WeakPolarHBondContact O-CB 3.24Å; N951-Q955 WeakPolarHBondContact O-CG 3.4Å; N951-Q955 PolarHBondContact O-N 3.43Å; L952-Q955 PolarHBondContact O-N 2.79Å; Q955-P957 WeakPolarHBondContact O-CD 3.35Å; Q955-A1034 VanDerWaalsContact NE2-CB 3.28Å; Q955-A1037 HydrophobicContact CB-CB 3.69Å; Q955-K1041 WeakPolarHBondContact O-CE 3.33Å; Q955-K1041 PolarHBondContact O-NZ 3.31Å
956L88Confident87.4Confident1 Ų146.5 Ų46.51%0.00528%0.283CS..SBendtrans-111.370.9178.2-65.5169.2000111.3L903 L952 G958 W959 V961 A1037 I1040 K1041L903-L956 HydrophobicContact CD2-CD1 4Å; L952-L956 HydrophobicContact CB-CD1 4.38Å; L952-L956 HydrophobicContact CD2-CD1 4.29Å; L952-L956 VanDerWaalsContact O-CB 3.31Å; L952-L956 WeakPolarHBondContact O-CB 3.43Å; L952-L956 PolarHBondContact O-N 3.23Å; L956-G958 PolarHBondContact O-N 2.9Å; L956-W959 HydrophobicContact CB-CB 3.86Å; L956-W959 HydrophobicContact CB-CG 3.98Å; L956-W959 PolarHBondContact O-N 3.29Å; L956-W959 VanDerWaalsContact O-N 3.08Å; L956-V961 HydrophobicContact CD1-CG2 4.37Å; L956-A1037 HydrophobicContact CD2-CB 4.18Å; L956-A1037 HydrophobicContact CG-CB 4.12Å; L956-I1040 HydrophobicContact CD1-CD1 4.2Å; L956-I1040 HydrophobicContact CD1-CG2 4.11Å; L956-I1040 HydrophobicContact CD2-CB 4.28Å; L956-I1040 HydrophobicContact CD2-CG2 3.97Å; L956-K1041 HydrophobicContact CD2-CD 4.5Å; L956-K1041 HydrophobicContact CD2-CG 3.81Å
957P79.8Confident86.6Confident108 Ų10845 Ų4570%0.70128%0.284SS*.THydrogen-bonded Turntrans-60.1123.8175.724.7-32.1000110.3Q955Q955-P957 WeakPolarHBondContact O-CD 3.35Å
958G80.8Confident85.5Confident47 Ų4751.1 Ų51.149%0.48533%0.328SS..THydrogen-bonded Turntrans98.7-4-176.600000115.5G899 L956G899-G958 WeakPolarHBondContact CA-O 3.26Å; L956-G958 PolarHBondContact O-N 2.9Å
959W86.7Confident84.7Confident33 Ų3355.2 Ų55.213%0.12536%0.362CS..EExtended strand (participates in β ladder)trans-102.2145.2170.6-70.867.8000110.9R901 L903 L956 V961 D971 I1040R901-W959 HydrophobicContact CB-CD2 3.58Å; R901-W959 HydrophobicContact CB-CE3 3.64Å; R901-W959 HydrophobicContact CB-CG 4.15Å; R901-W959 HydrophobicContact CB-CH2 4.15Å; R901-W959 HydrophobicContact CB-CZ2 4.09Å; R901-W959 HydrophobicContact CB-CZ3 3.93Å; R901-W959 VanDerWaalsContact CD-CZ2 3.42Å; R901-W959 HydrophobicContact CG-CZ2 4.36Å; R901-W959 WeakPolarHBondContact O-CA 3.44Å; L903-W959 HydrophobicContact CB-CE3 3.86Å; L903-W959 HydrophobicContact CB-CZ3 4.19Å; L956-W959 HydrophobicContact CB-CB 3.86Å; L956-W959 HydrophobicContact CB-CG 3.98Å; L956-W959 PolarHBondContact O-N 3.29Å; L956-W959 VanDerWaalsContact O-N 3.08Å; W959-V961 HydrophobicContact CB-CG2 4.45Å; W959-D971 VanDerWaalsContact CH2-OD2 3.25Å; W959-D971 WeakPolarHBondContact CH2-OD2 3.48Å; W959-D971 HydrophobicContact CZ3-CB 4.43Å; W959-D971 VanDerWaalsContact CZ3-OD2 3.32Å; W959-D971 WeakPolarHBondContact CZ3-OD2 3.38Å; W959-I1040 HydrophobicContact CH2-CG2 3.74Å; W959-I1040 HydrophobicContact CZ2-CG2 3.63Å; W959-I1040 HydrophobicContact CZ3-CG2 4.26Å
960V86.4Confident84.4Confident63 Ų6355.7 Ų55.738%0.38236%0.363SS..EExtended strand (participates in β ladder)trans-96.6111.9166.8-176.20000107.9R901 L902 L903 L966R901-V960 PolarHBondContact O-N 2.75Å; L902-V960 HydrophobicContact CD2-CB 3.84Å; L902-V960 HydrophobicContact CD2-CG1 4.48Å; L902-V960 HydrophobicContact CD2-CG2 4.16Å; L903-V960 PolarHBondContact N-O 3.06Å; V960-L966 HydrophobicContact CB-CD1 4.26Å; V960-L966 HydrophobicContact CG1-CD1 3.83Å; V960-L966 HydrophobicContact CG1-CD2 4.12Å; V960-L966 WeakPolarHBondContact O-CD1 3.49Å
961V90.3Very high84.4Confident15 Ų1555.2 Ų55.29%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-103.4125.2178.2-170.70000109.3L903 V905 V949 L952 L956 W959L903-V961 HydrophobicContact CB-CG2 4.29Å; L903-V961 HydrophobicContact CD2-CG1 4.16Å; L903-V961 HydrophobicContact CD2-CG2 4.14Å; L903-V961 HydrophobicContact CG-CG1 4.47Å; L903-V961 WeakPolarHBondContact O-CA 3.25Å; V905-V961 HydrophobicContact CG2-CG1 4.01Å; V949-V961 HydrophobicContact CG1-CG1 4.26Å; V949-V961 HydrophobicContact CG2-CG1 4.49Å; L952-V961 HydrophobicContact CB-CG1 3.99Å; L952-V961 HydrophobicContact CB-CG2 4.12Å; L952-V961 HydrophobicContact CD1-CG1 4.35Å; L956-V961 HydrophobicContact CD1-CG2 4.37Å; W959-V961 HydrophobicContact CB-CG2 4.45Å
962A89.9Confident84.5Confident19 Ų1955.2 Ų55.216%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-138.3155.9178.400000112.8L903 V905 Q964 L966L903-A962 PolarHBondContact O-N 3.03Å; V905-A962 PolarHBondContact N-O 3.44Å; A962-Q964 VanDerWaalsContact C-N 3.29Å; A962-L966 HydrophobicContact CB-CD1 3.66Å; A962-L966 HydrophobicContact CB-CD2 3.77Å; A962-L966 HydrophobicContact CB-CG 3.74Å
963S86.7Confident84.7Confident51 Ų5155.2 Ų55.236%0.35736%0.357SS..SBendtrans-85.1-3.3168.851.90000113.1W904W904-S963 PolarHBondContact NE1-O 3.4Å
964Q85.1Confident85Confident145 Ų14553.6 Ų53.668%0.67834%0.343SS*.SBendtrans-118.1151.2177.9-69.4-177.1-17.200109.8W904 A962 L966W904-Q964 VanDerWaalsContact CD1-C 3.41Å; A962-Q964 VanDerWaalsContact C-N 3.29Å; Q964-L966 PolarHBondContact O-N 2.92Å
965P84.2Confident85.4Confident89 Ų8950 Ų5058%0.57832%0.322SS*.  trans-62.812717825.8-33.9000111W904W904-P965 HydrophobicContact CD2-CB 4.26Å; W904-P965 HydrophobicContact CE3-CB 4.4Å; W904-P965 HydrophobicContact CZ2-CB 4.47Å
966L75.4Confident85.8Confident65 Ų6550 Ų5034%0.3433%0.325SS..  trans-97.1-8.8-177.3-66.2164.6000113.6L902 V960 A962 Q964L902-L966 HydrophobicContact CB-CB 4.27Å; L902-L966 HydrophobicContact CB-CD1 4.16Å; L902-L966 HydrophobicContact CD1-CB 4.04Å; L902-L966 HydrophobicContact CD2-CB 4.23Å; L902-L966 HydrophobicContact CD2-CD1 4.18Å; L902-L966 HydrophobicContact CG-CB 4.41Å; V960-L966 HydrophobicContact CB-CD1 4.26Å; V960-L966 HydrophobicContact CG1-CD1 3.83Å; V960-L966 HydrophobicContact CG1-CD2 4.12Å; V960-L966 WeakPolarHBondContact O-CD1 3.49Å; A962-L966 HydrophobicContact CB-CD1 3.66Å; A962-L966 HydrophobicContact CB-CD2 3.77Å; A962-L966 HydrophobicContact CB-CG 3.74Å; Q964-L966 PolarHBondContact O-N 2.92Å
967G73.6Confident86.2Confident41 Ų4150 Ų5042%0.42333%0.325SS..  trans155-169.4176.900000114.1Q970G967-Q970 VanDerWaalsContact O-CD 3.25Å; G967-Q970 PolarHBondContact O-NE2 3.22Å
968S69.2Low87Confident136 Ų13648 Ų4895%0.95131%0.311SS*.SBendtrans-83.5-15.4-177.957.70000114.7
969A76.5Confident87.6Confident86 Ų8646.9 Ų46.971%0.71129%0.293SS*.SBendtrans-12375.8-179.600000109.8
970Q85.3Confident88Confident34 Ų3445.4 Ų45.416%0.15929%0.287CS..  trans-136.5147.9-177.963.7-174-1.400110.2L902 W904 G967L902-Q970 HydrophobicContact CB-CB 3.78Å; W904-Q970 HydrophobicContact CB-CG 4.34Å; G967-Q970 VanDerWaalsContact O-CD 3.25Å; G967-Q970 PolarHBondContact O-NE2 3.22Å
971D89.9Confident88.4Confident16 Ų1642.4 Ų42.49%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-78.2141.9170.9-66.8-21.2000109.4L902 L903 W904 W959 L996 N997 H998L902-D971 PolarHBondContact O-N 3.39Å; L903-D971 HydrophobicContact CD1-CB 3.8Å; W904-D971 PolarHBondContact N-O 3.43Å; W959-D971 VanDerWaalsContact CH2-OD2 3.25Å; W959-D971 WeakPolarHBondContact CH2-OD2 3.48Å; W959-D971 HydrophobicContact CZ3-CB 4.43Å; W959-D971 VanDerWaalsContact CZ3-OD2 3.32Å; W959-D971 WeakPolarHBondContact CZ3-OD2 3.38Å; D971-L996 HydrophobicContact CB-CD1 4.39Å; D971-N997 WeakPolarHBondContact CA-O 3.22Å; D971-H998 WeakPolarHBondContact OD1-CA 3.38Å; D971-H998 IonicContact OD1-CE1 3.86Å; D971-H998 IonicContact OD1-CG 2.61Å; D971-H998 IonicContact OD1-ND1 3.27Å; D971-H998 PolarHBondContact OD1-ND1 3.15Å; D971-H998 IonicContact OD2-CE1 3.85Å; D971-H998 IonicContact OD2-CG 3.14Å; D971-H998 IonicContact OD2-ND1 3.54Å; D971-H998 PolarHBondContact OD2-ND1 3.13Å
972T92.4Very high88.5Confident19 Ų1941.7 Ų41.712%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-114.6124.6-177.223.60000110.7W904 L996 N997W904-T972 HydrophobicContact CB-CG2 4.42Å; W904-T972 HydrophobicContact CD2-CG2 4.11Å; W904-T972 HydrophobicContact CE3-CG2 3.25Å; W904-T972 HydrophobicContact CZ3-CG2 3.77Å; W904-T972 WeakPolarHBondContact O-CA 3.46Å; T972-L996 CarbonylContact O-C 3.56Å; T972-L996 WeakPolarHBondContact O-CA 2.94Å; T972-N997 PolarHBondContact N-O 3.36Å; T972-N997 PolarHBondContact O-N 3.26Å; T972-N997 WeakPolarHBondContact OG1-CB 3.1Å; T972-N997 PolarHBondContact OG1-ND2 3.06Å
973L94.7Very high88.6Confident0 Ų042.7 Ų42.70%027%0.265CS..EExtended strand (participates in β ladder)trans-113.6119.2177.9-179.467.2000110L903 W904 V905 E906 L948 L952 V975 W994 L996 I1036L903-L973 HydrophobicContact CD1-CB 4.25Å; W904-L973 PolarHBondContact O-N 2.79Å; V905-L973 HydrophobicContact CG2-CD2 4.38Å; E906-L973 PolarHBondContact N-O 3Å; L948-L973 HydrophobicContact CD2-CD2 4.21Å; L952-L973 HydrophobicContact CD1-CD2 3.76Å; L973-V975 HydrophobicContact CD1-CG2 4.44Å; L973-V975 HydrophobicContact CD2-CG2 4.36Å; L973-V975 HydrophobicContact CG-CG2 4.09Å; L973-W994 HydrophobicContact CD1-CB 4.24Å; L973-W994 HydrophobicContact CD1-CE3 4.14Å; L973-L996 HydrophobicContact CB-CD1 4.23Å; L973-L996 HydrophobicContact CD1-CB 4.23Å; L973-L996 HydrophobicContact CD1-CD1 4.27Å; L973-I1036 HydrophobicContact CD2-CG2 4.03Å
974N95Very high88.6Confident30 Ų3045.3 Ų45.316%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-110.4133.8171.4-79.2-46.3000109.9E906 Q907 W994 L995E906-N974 WeakPolarHBondContact CB-OD1 3.34Å; E906-N974 PolarHBondContact OE2-ND2 2.83Å; E906-N974 PolarHBondContact OE2-OD1 3.35Å; Q907-N974 WeakPolarHBondContact CG-OD1 3.41Å; Q907-N974 PolarHBondContact N-OD1 2.99Å; N974-W994 CarbonylContact O-C 3.5Å; N974-W994 VanDerWaalsContact O-CA 3.25Å; N974-W994 WeakPolarHBondContact O-CA 3.45Å; N974-L995 HydrophobicContact CB-CB 4.43Å; N974-L995 HydrophobicContact CB-CD2 4.42Å; N974-L995 PolarHBondContact N-O 3.2Å; N974-L995 PolarHBondContact O-N 2.94Å
975V96.1Very high88.8Confident1 Ų141.6 Ų41.61%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-126.1132.3179.3-171.40000109.9Q907 V908 T909 L948 L973 V977 W994 F1007 W1029Q907-V975 PolarHBondContact O-N 2.81Å; V908-V975 CarbonylContact C-O 3.59Å; V908-V975 VanDerWaalsContact CA-O 3.25Å; V908-V975 WeakPolarHBondContact CA-O 3.39Å; V908-V975 HydrophobicContact CG1-CB 4.48Å; V908-V975 HydrophobicContact CG2-CB 4.29Å; T909-V975 PolarHBondContact N-O 2.73Å; T909-V975 PolarHBondContact OG1-O 3.43Å; L948-V975 HydrophobicContact CD2-CG2 3.69Å; L973-V975 HydrophobicContact CD1-CG2 4.44Å; L973-V975 HydrophobicContact CD2-CG2 4.36Å; L973-V975 HydrophobicContact CG-CG2 4.09Å; V975-V977 HydrophobicContact CG1-CG2 4.22Å; V975-W994 HydrophobicContact CB-CB 4.37Å; V975-W994 HydrophobicContact CG1-CB 4.25Å; V975-W994 HydrophobicContact CG2-CB 3.91Å; V975-F1007 HydrophobicContact CG1-CE1 4.03Å; V975-F1007 HydrophobicContact CG1-CZ 4.18Å; V975-W1029 HydrophobicContact CG1-CH2 3.95Å
976T96.7Very high89Confident51 Ų5138.9 Ų38.931%0.31324%0.24SC..EExtended strand (participates in β ladder)trans-117116.5174.8-57.60000108.5T909 G992 E993T909-T976 WeakPolarHBondContact OG1-CA 3.28Å; T909-T976 PolarHBondContact OG1-OG1 2.96Å; T976-G992 CarbonylContact O-C 3.57Å; T976-G992 WeakPolarHBondContact O-CA 3.04Å; T976-E993 PolarHBondContact N-O 3.43Å; T976-E993 PolarHBondContact O-N 3.36Å
977V96.5Very high89.8Confident0 Ų039 Ų390%024%0.238CC..EExtended strand (participates in β ladder)trans-101.8115.7-179.8179.10000108.6V908 T909 V910 P911 L944 V975 E979 F980 S991 F1007 W1029V908-V977 HydrophobicContact CG1-CG2 4.08Å; T909-V977 PolarHBondContact O-N 3.07Å; V910-V977 HydrophobicContact CG1-CB 4.22Å; P911-V977 WeakPolarHBondContact CD-O 3.42Å; L944-V977 HydrophobicContact CD1-CB 4.5Å; L944-V977 HydrophobicContact CD1-CG2 4.15Å; V975-V977 HydrophobicContact CG1-CG2 4.22Å; V977-E979 WeakPolarHBondContact CG1-O 3.35Å; V977-F980 HydrophobicContact CG1-CB 3.98Å; V977-F980 HydrophobicContact CG1-CD2 4.38Å; V977-S991 CarbonylContact C-O 3.47Å; V977-F1007 HydrophobicContact CG2-CZ 4.25Å; V977-W1029 HydrophobicContact CG2-CH2 3.82Å; V977-W1029 HydrophobicContact CG2-CZ3 3.82Å
978T94.6Very high90.7Very high68 Ų6837.1 Ų37.142%0.41722%0.219SC..EExtended strand (participates in β ladder)trans-91-32-178.248.20000113.5Y913 S991 G992Y913-T978 PolarHBondContact OH-O 3.15Å; T978-S991 PolarHBondContact N-O 3.22Å; T978-S991 VanDerWaalsContact OG1-C 3.26Å; T978-S991 PolarHBondContact OG1-O 2.72Å; T978-S991 VanDerWaalsContact OG1-O 3.11Å; T978-S991 PolarHBondContact OG1-OG 3.06Å; T978-G992 WeakPolarHBondContact OG1-CA 3.28Å; T978-G992 PolarHBondContact OG1-N 3.4Å
979E94Very high91.9Very high23 Ų2330.7 Ų30.711%0.10717%0.173CC..EExtended strand (participates in β ladder)trans-136134.7175.5-59.5173122.100109.9Y928 V977 I989 V990 S991 R1008Y928-E979 PolarHBondContact OH-OE1 2.81Å; V977-E979 WeakPolarHBondContact CG1-O 3.35Å; E979-I989 HydrophobicContact CB-CG2 4.06Å; E979-I989 WeakPolarHBondContact OE2-CD1 3.23Å; E979-V990 WeakPolarHBondContact O-CA 3.37Å; E979-S991 WeakPolarHBondContact CB-OG 3.31Å; E979-S991 VanDerWaalsContact CG-OG 3.28Å; E979-S991 WeakPolarHBondContact CG-OG 3.4Å; E979-S991 PolarHBondContact N-O 2.91Å; E979-S991 PolarHBondContact N-OG 3.11Å; E979-S991 PolarHBondContact O-N 2.9Å; E979-S991 PolarHBondContact OE2-OG 3.38Å; E979-R1008 IonicContact OE2-CZ 2.99Å; E979-R1008 IonicContact OE2-NH1 2.62Å; E979-R1008 PolarHBondContact OE2-NH1 2.85Å; E979-R1008 IonicContact OE2-NH2 3.2Å; E979-R1008 PolarHBondContact OE2-NH2 3.26Å
980F95.7Very high92.8Very high1 Ų126.6 Ų26.60%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-151.872.6175.6-164-90.9000108.8L885 L914 W936 L940 L944 V977 I989 V990 L1025 W1029L885-F980 HydrophobicContact CD1-CZ 4.16Å; L885-F980 HydrophobicContact CD2-CE1 4.17Å; L885-F980 HydrophobicContact CD2-CZ 3.87Å; L914-F980 HydrophobicContact CD1-CB 3.98Å; L914-F980 HydrophobicContact CD2-CB 4.35Å; W936-F980 HydrophobicContact CH2-CD1 4.46Å; W936-F980 AromaticContact CH2-CE1 3.82Å; W936-F980 HydrophobicContact CH2-CE1 3.82Å; W936-F980 HydrophobicContact CZ2-CD1 4.14Å; W936-F980 AromaticContact CZ2-CE1 3.96Å; W936-F980 HydrophobicContact CZ2-CE1 3.96Å; L940-F980 HydrophobicContact CD1-CD1 3.91Å; L940-F980 HydrophobicContact CD1-CE1 3.84Å; L940-F980 HydrophobicContact CD2-CB 4.26Å; L940-F980 HydrophobicContact CD2-CD1 3.81Å; L940-F980 HydrophobicContact CD2-CG 4.25Å; L940-F980 HydrophobicContact CG-CD1 4.44Å; L944-F980 HydrophobicContact CD2-CD2 4.02Å; L944-F980 HydrophobicContact CD2-CE2 3.56Å; L944-F980 HydrophobicContact CD2-CZ 3.87Å; V977-F980 HydrophobicContact CG1-CB 3.98Å; V977-F980 HydrophobicContact CG1-CD2 4.38Å; F980-I989 WeakPolarHBondContact CA-O 3.4Å; F980-V990 HydrophobicContact CD2-CB 4.43Å; F980-V990 HydrophobicContact CD2-CG1 4.02Å; F980-V990 HydrophobicContact CD2-CG2 3.76Å; F980-V990 HydrophobicContact CE2-CG1 4.32Å; F980-V990 HydrophobicContact CE2-CG2 3.81Å; F980-L1025 HydrophobicContact CD1-CD1 4.21Å; F980-L1025 HydrophobicContact CD1-CD2 4.24Å; F980-L1025 HydrophobicContact CD2-CD2 4.39Å; F980-L1025 HydrophobicContact CE1-CB 3.99Å; F980-L1025 HydrophobicContact CE1-CD1 3.92Å; F980-L1025 HydrophobicContact CE1-CD2 4.18Å; F980-L1025 HydrophobicContact CE1-CG 4.26Å; F980-L1025 HydrophobicContact CE2-CB 4.46Å; F980-L1025 HydrophobicContact CE2-CD2 4.32Å; F980-L1025 HydrophobicContact CG-CD2 4.35Å; F980-L1025 HydrophobicContact CZ-CB 3.78Å; F980-L1025 HydrophobicContact CZ-CD2 4.22Å; F980-L1025 HydrophobicContact CZ-CG 4.41Å; F980-W1029 HydrophobicContact CE2-CB 4.3Å
981N94.1Very high93.3Very high0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-152.4159.8-167.858.3-89000112.9V920 V988 I989V920-N981 HydrophobicContact CB-CB 4.08Å; V920-N981 HydrophobicContact CG1-CB 4.04Å; V920-N981 WeakPolarHBondContact O-CA 3.4Å; V920-N981 VanDerWaalsContact O-CB 3.23Å; V920-N981 WeakPolarHBondContact O-CB 3.47Å; N981-V988 WeakPolarHBondContact O-CA 3.34Å; N981-I989 PolarHBondContact N-O 2.95Å; N981-I989 PolarHBondContact O-N 3.45Å
982G92.8Very high93.7Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans-74.6158.1163.800000111.8V920 Q922V920-G982 PolarHBondContact O-N 3.11Å; Q922-G982 WeakPolarHBondContact CB-O 3.4Å; Q922-G982 PolarHBondContact N-O 2.81Å
983R92.2Very high93.9Very high41 Ų4127.4 Ų27.416%0.15514%0.144CC..EExtended strand (participates in β ladder)trans-124.1155.5176.5-81.7172.150.2128.7-1.1111.6Y921 Q922 D985 G986 K987 I989Y921-R983 PolarHBondContact OH-O 2.94Å; Q922-R983 HydrophobicContact CB-CG 4.13Å; Q922-R983 CarbonylContact O-C 3.54Å; Q922-R983 VanDerWaalsContact OE1-CG 3.3Å; R983-D985 WeakPolarHBondContact CB-OD1 3.36Å; R983-D985 IonicContact CZ-OD2 2.82Å; R983-D985 IonicContact NE-OD1 2.71Å; R983-D985 PolarHBondContact NE-OD1 3.16Å; R983-D985 IonicContact NE-OD2 3.97Å; R983-D985 PolarHBondContact NE-OD2 3.22Å; R983-D985 IonicContact NH2-OD2 2.75Å; R983-D985 PolarHBondContact NH2-OD2 3.48Å; R983-D985 PolarHBondContact O-N 3.29Å; R983-D985 VanDerWaalsContact O-N 3.1Å; R983-G986 PolarHBondContact O-N 3.39Å; R983-K987 PolarHBondContact N-O 2.8Å; R983-I989 HydrophobicContact CG-CG2 4.27Å
984Y87.4Confident93.9Very high106 Ų10627.7 Ų27.742%0.41615%0.146SC..THydrogen-bonded Turntrans-59.6-15.4178.665.8-88.4000115Y921 Q922 D925Y921-Y984 WeakPolarHBondContact OH-CA 3.41Å; Q922-Y984 PolarHBondContact O-N 2.86Å; D925-Y984 VanDerWaalsContact OD1-CZ 3.25Å; D925-Y984 PolarHBondContact OD1-OH 3.01Å
985D89.1Confident93.9Very high66 Ų6629 Ų2935%0.35315%0.152SC..THydrogen-bonded Turntrans-9413.4178.660.7-5000113.8R983 K987R983-D985 WeakPolarHBondContact CB-OD1 3.36Å; R983-D985 IonicContact CZ-OD2 2.82Å; R983-D985 IonicContact NE-OD1 2.71Å; R983-D985 PolarHBondContact NE-OD1 3.16Å; R983-D985 IonicContact NE-OD2 3.97Å; R983-D985 PolarHBondContact NE-OD2 3.22Å; R983-D985 IonicContact NH2-OD2 2.75Å; R983-D985 PolarHBondContact NH2-OD2 3.48Å; R983-D985 PolarHBondContact O-N 3.29Å; R983-D985 VanDerWaalsContact O-N 3.1Å; D985-K987 VanDerWaalsContact C-N 3.27Å; D985-K987 PolarHBondContact O-N 2.8Å; D985-K987 WeakPolarHBondContact OD1-CB 3.32Å; D985-K987 PolarHBondContact OD1-N 2.95Å
986G87Confident93.8Very high32 Ų3229.1 Ų29.133%0.3315%0.153SC..SBendtrans76.114.5179.300000113.9R983 Q1013R983-G986 PolarHBondContact O-N 3.39Å; G986-Q1013 VanDerWaalsContact O-CB 3.28Å; G986-Q1013 WeakPolarHBondContact O-CB 3.25Å; G986-Q1013 PolarHBondContact O-N 2.91Å
987K92Very high93.6Very high69 Ų6929.2 Ų29.230%0.315%0.151SC..EExtended strand (participates in β ladder)trans-105.4160.3174.2-61.7178.9174.6-175.40111.1R983 D985 E1010 G1011R983-K987 PolarHBondContact N-O 2.8Å; D985-K987 VanDerWaalsContact C-N 3.27Å; D985-K987 PolarHBondContact O-N 2.8Å; D985-K987 WeakPolarHBondContact OD1-CB 3.32Å; D985-K987 PolarHBondContact OD1-N 2.95Å; K987-E1010 WeakPolarHBondContact CD-OE2 3.42Å; K987-E1010 IonicContact NZ-OE2 2.81Å; K987-E1010 PolarHBondContact NZ-OE2 3.28Å; K987-G1011 CarbonylContact C-O 3.59Å; K987-G1011 VanDerWaalsContact CA-O 3.24Å; K987-G1011 WeakPolarHBondContact CA-O 3.41Å
988V93.7Very high93.1Very high1 Ų129.7 Ų29.71%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-112149164.2-55.60000109.2N981 E1010 G1011 M1021 V1024 L1025 V1028N981-V988 WeakPolarHBondContact O-CA 3.34Å; V988-E1010 WeakPolarHBondContact O-CA 3.32Å; V988-G1011 PolarHBondContact N-O 2.9Å; V988-G1011 PolarHBondContact O-N 2.81Å; V988-M1021 HydrophobicContact CG1-CG 3.68Å; V988-V1024 HydrophobicContact CG1-CB 4.47Å; V988-V1024 HydrophobicContact CG1-CG1 4.49Å; V988-V1024 HydrophobicContact CG2-CB 4.04Å; V988-V1024 HydrophobicContact CG2-CG1 3.42Å; V988-V1024 VanDerWaalsContact CG2-CG1 3.42Å; V988-L1025 HydrophobicContact CB-CD2 3.81Å; V988-L1025 HydrophobicContact CB-CG 3.97Å; V988-L1025 HydrophobicContact CG1-CG 4.16Å; V988-L1025 HydrophobicContact CG2-CD2 4.17Å; V988-L1025 HydrophobicContact CG2-CG 4.27Å; V988-V1028 HydrophobicContact CG2-CG2 4.12Å
989I94.4Very high92.6Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-126.4135.5-179.7-169.8159.4000111.1E979 F980 N981 R983 R1008E979-I989 HydrophobicContact CB-CG2 4.06Å; E979-I989 WeakPolarHBondContact OE2-CD1 3.23Å; F980-I989 WeakPolarHBondContact CA-O 3.4Å; N981-I989 PolarHBondContact N-O 2.95Å; N981-I989 PolarHBondContact O-N 3.45Å; R983-I989 HydrophobicContact CG-CG2 4.27Å; I989-R1008 HydrophobicContact CD1-CG 4.41Å
990V95.9Very high91.9Very high0 Ų036.7 Ų36.70%020%0.199CC..EExtended strand (participates in β ladder)trans-127.9113.3171.6-1800000107.4E979 F980 F1007 L1009 L1025 V1028 W1029E979-V990 WeakPolarHBondContact O-CA 3.37Å; F980-V990 HydrophobicContact CD2-CB 4.43Å; F980-V990 HydrophobicContact CD2-CG1 4.02Å; F980-V990 HydrophobicContact CD2-CG2 3.76Å; F980-V990 HydrophobicContact CE2-CG1 4.32Å; F980-V990 HydrophobicContact CE2-CG2 3.81Å; V990-F1007 HydrophobicContact CG1-CE2 3.98Å; V990-L1009 PolarHBondContact N-O 3.27Å; V990-L1009 PolarHBondContact O-N 3.16Å; V990-L1025 HydrophobicContact CG2-CD2 3.76Å; V990-V1028 HydrophobicContact CB-CG1 3.68Å; V990-V1028 HydrophobicContact CG2-CB 3.98Å; V990-V1028 HydrophobicContact CG2-CG1 3.61Å; V990-W1029 HydrophobicContact CG1-CE3 3.91Å; V990-W1029 HydrophobicContact CG1-CZ3 4.4Å
991S96.1Very high91.5Very high4 Ų442.9 Ų42.93%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-137153-177.577.80000111.9V977 T978 E979 F1007V977-S991 CarbonylContact C-O 3.47Å; T978-S991 PolarHBondContact N-O 3.22Å; T978-S991 VanDerWaalsContact OG1-C 3.26Å; T978-S991 PolarHBondContact OG1-O 2.72Å; T978-S991 VanDerWaalsContact OG1-O 3.11Å; T978-S991 PolarHBondContact OG1-OG 3.06Å; E979-S991 WeakPolarHBondContact CB-OG 3.31Å; E979-S991 VanDerWaalsContact CG-OG 3.28Å; E979-S991 WeakPolarHBondContact CG-OG 3.4Å; E979-S991 PolarHBondContact N-O 2.91Å; E979-S991 PolarHBondContact N-OG 3.11Å; E979-S991 PolarHBondContact O-N 2.9Å; E979-S991 PolarHBondContact OE2-OG 3.38Å; S991-F1007 VanDerWaalsContact C-CE2 3.45Å; S991-F1007 WeakPolarHBondContact CA-O 3.5Å
992G96.5Very high91.2Very high9 Ų948.3 Ų48.39%0.09326%0.256CS..EExtended strand (participates in β ladder)trans165.2-158.5-178.100000113.2T976 T978 P1006 F1007T976-G992 CarbonylContact O-C 3.57Å; T976-G992 WeakPolarHBondContact O-CA 3.04Å; T978-G992 WeakPolarHBondContact OG1-CA 3.28Å; T978-G992 PolarHBondContact OG1-N 3.4Å; G992-P1006 WeakPolarHBondContact O-CA 3.48Å; G992-F1007 PolarHBondContact N-O 2.88Å; G992-F1007 PolarHBondContact O-N 3.39Å
993E96.6Very high91.2Very high73 Ų7349.8 Ų49.834%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-144.5149.6175.256.8-178.6-142.400110.9T976 K1004 R1005 F1007T976-E993 PolarHBondContact N-O 3.43Å; T976-E993 PolarHBondContact O-N 3.36Å; E993-K1004 WeakPolarHBondContact OE1-CE 3.28Å; E993-K1004 IonicContact OE1-NZ 3.98Å; E993-K1004 PolarHBondContact OE1-NZ 2.95Å; E993-K1004 WeakPolarHBondContact OE2-CE 3.37Å; E993-K1004 IonicContact OE2-NZ 3.21Å; E993-K1004 PolarHBondContact OE2-NZ 2.91Å; E993-R1005 WeakPolarHBondContact CA-O 3.47Å; E993-F1007 VanDerWaalsContact N-CE1 3.28Å
994W96.1Very high91.2Very high7 Ų753.3 Ų53.33%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-124.5151.3170.556.8-102.4000111L973 N974 V975 L996 I1003 K1004 R1005 F1007 E1032 I1036 E1039L973-W994 HydrophobicContact CD1-CB 4.24Å; L973-W994 HydrophobicContact CD1-CE3 4.14Å; N974-W994 CarbonylContact O-C 3.5Å; N974-W994 VanDerWaalsContact O-CA 3.25Å; N974-W994 WeakPolarHBondContact O-CA 3.45Å; V975-W994 HydrophobicContact CB-CB 4.37Å; V975-W994 HydrophobicContact CG1-CB 4.25Å; V975-W994 HydrophobicContact CG2-CB 3.91Å; W994-L996 HydrophobicContact CE3-CB 4.15Å; W994-L996 HydrophobicContact CZ3-CB 3.85Å; W994-I1003 HydrophobicContact CH2-CG2 4.36Å; W994-I1003 HydrophobicContact CZ3-CG2 4.15Å; W994-K1004 WeakPolarHBondContact O-CA 3.27Å; W994-R1005 HydrophobicContact CD2-CB 3.98Å; W994-R1005 VanDerWaalsContact CE2-CB 3.49Å; W994-R1005 HydrophobicContact CE3-CB 4.34Å; W994-R1005 HydrophobicContact CH2-CB 3.85Å; W994-R1005 HydrophobicContact CH2-CG 3.41Å; W994-R1005 VanDerWaalsContact CH2-CG 3.41Å; W994-R1005 HydrophobicContact CZ2-CB 3.45Å; W994-R1005 VanDerWaalsContact CZ2-CB 3.45Å; W994-R1005 HydrophobicContact CZ2-CG 3.42Å; W994-R1005 VanDerWaalsContact CZ2-CG 3.42Å; W994-R1005 HydrophobicContact CZ3-CB 4.27Å; W994-R1005 HydrophobicContact CZ3-CG 4.02Å; W994-R1005 PolarHBondContact N-O 2.79Å; W994-R1005 PolarHBondContact O-N 2.79Å; W994-F1007 AromaticContact CD1-CD1 3.68Å; W994-E1032 PolarHBondContact NE1-OE1 2.78Å; W994-I1036 HydrophobicContact CD2-CG1 4.25Å; W994-I1036 HydrophobicContact CG-CD1 4.16Å; W994-I1036 HydrophobicContact CG-CG1 4.22Å; W994-I1036 HydrophobicContact CZ2-CG1 4.33Å; W994-E1039 HydrophobicContact CH2-CB 4.28Å; W994-E1039 HydrophobicContact CH2-CG 4.05Å; W994-E1039 HydrophobicContact CZ2-CB 4.47Å
995L94.7Very high91.5Very high57 Ų5754 Ų5430%0.29828%0.282SS..EExtended strand (participates in β ladder)trans-130.5111.3-175.9179.9136.5000108.1N974 L1002 I1003N974-L995 HydrophobicContact CB-CB 4.43Å; N974-L995 HydrophobicContact CB-CD2 4.42Å; N974-L995 PolarHBondContact N-O 3.2Å; N974-L995 PolarHBondContact O-N 2.94Å; L995-L1002 HydrophobicContact CD1-CD2 4.08Å; L995-L1002 HydrophobicContact CD2-CD2 3.46Å; L995-L1002 VanDerWaalsContact CD2-CD2 3.46Å; L995-L1002 HydrophobicContact CG-CD2 3.81Å; L995-I1003 WeakPolarHBondContact CA-O 3.13Å
996L93.9Very high91.9Very high3 Ų356 Ų562%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-103125.2177.1179.571.6000109L903 D971 T972 L973 W994 L1002 I1003 I1040 L1043L903-L996 HydrophobicContact CD1-CD1 3.91Å; D971-L996 HydrophobicContact CB-CD1 4.39Å; T972-L996 CarbonylContact O-C 3.56Å; T972-L996 WeakPolarHBondContact O-CA 2.94Å; L973-L996 HydrophobicContact CB-CD1 4.23Å; L973-L996 HydrophobicContact CD1-CB 4.23Å; L973-L996 HydrophobicContact CD1-CD1 4.27Å; W994-L996 HydrophobicContact CE3-CB 4.15Å; W994-L996 HydrophobicContact CZ3-CB 3.85Å; L996-L1002 CarbonylContact O-C 3.5Å; L996-L1002 WeakPolarHBondContact O-CA 3.13Å; L996-I1003 HydrophobicContact CB-CB 4.44Å; L996-I1003 PolarHBondContact N-O 3.18Å; L996-I1003 PolarHBondContact O-N 2.61Å; L996-I1040 HydrophobicContact CD2-CG1 3.92Å; L996-L1043 HydrophobicContact CD2-CD1 3.37Å
997N91.6Very high92.3Very high53 Ų5355.1 Ų55.128%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-103.9106.8169.7172.116.5000108.6D971 T972 G1000 Q1001 L1002D971-N997 WeakPolarHBondContact CA-O 3.22Å; T972-N997 PolarHBondContact N-O 3.36Å; T972-N997 PolarHBondContact O-N 3.26Å; T972-N997 WeakPolarHBondContact OG1-CB 3.1Å; T972-N997 PolarHBondContact OG1-ND2 3.06Å; N997-G1000 VanDerWaalsContact OD1-CA 3.23Å; N997-G1000 WeakPolarHBondContact OD1-CA 3.26Å; N997-G1000 PolarHBondContact OD1-N 3.27Å; N997-G1000 VanDerWaalsContact OD1-N 3.11Å; N997-Q1001 WeakPolarHBondContact CA-O 3.32Å; N997-L1002 HydrophobicContact CB-CD2 3.97Å
998H87.7Confident92.5Very high11 Ų1158.6 Ų58.65%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-113.4112.4178.6176.777.3000108.7D971 G1000 Q1001 L1043D971-H998 WeakPolarHBondContact OD1-CA 3.38Å; D971-H998 IonicContact OD1-CE1 3.86Å; D971-H998 IonicContact OD1-CG 2.61Å; D971-H998 IonicContact OD1-ND1 3.27Å; D971-H998 PolarHBondContact OD1-ND1 3.15Å; D971-H998 IonicContact OD2-CE1 3.85Å; D971-H998 IonicContact OD2-CG 3.14Å; D971-H998 IonicContact OD2-ND1 3.54Å; D971-H998 PolarHBondContact OD2-ND1 3.13Å; H998-G1000 PolarHBondContact O-N 3.21Å; H998-G1000 VanDerWaalsContact O-N 3.1Å; H998-Q1001 PolarHBondContact N-O 3.43Å; H998-Q1001 WeakPolarHBondContact O-CB 3.13Å; H998-Q1001 PolarHBondContact O-N 3.15Å; H998-L1043 HydrophobicContact CB-CD1 4.37Å
999Q82.6Confident92.5Very high173 Ų17360.7 Ų60.781%0.80831%0.308SS*.THydrogen-bonded Turntrans50.933.6-178.8-55.9-176.7-000114.9
1000G80.5Confident92.5Very high64 Ų6465.1 Ų65.166%0.6633%0.328SS*.THydrogen-bonded Turntrans87.7-3.9-178.600000114.8N997 H998N997-G1000 VanDerWaalsContact OD1-CA 3.23Å; N997-G1000 WeakPolarHBondContact OD1-CA 3.26Å; N997-G1000 PolarHBondContact OD1-N 3.27Å; N997-G1000 VanDerWaalsContact OD1-N 3.11Å; H998-G1000 PolarHBondContact O-N 3.21Å; H998-G1000 VanDerWaalsContact O-N 3.1Å
1001Q85.9Confident92.4Very high132 Ų13265.5 Ų65.562%0.61733%0.333SS*.EExtended strand (participates in β ladder)trans-91.7121.5171.3-166.1178.64.600110.3N997 H998N997-Q1001 WeakPolarHBondContact CA-O 3.32Å; H998-Q1001 PolarHBondContact N-O 3.43Å; H998-Q1001 WeakPolarHBondContact O-CB 3.13Å; H998-Q1001 PolarHBondContact O-N 3.15Å
1002L89.3Confident92.2Very high114 Ų11470.3 Ų70.360%0.59736%0.362SS*.EExtended strand (participates in β ladder)trans-89119.6178.3-76.2158.8000110.8L995 L996 N997L995-L1002 HydrophobicContact CD1-CD2 4.08Å; L995-L1002 HydrophobicContact CD2-CD2 3.46Å; L995-L1002 VanDerWaalsContact CD2-CD2 3.46Å; L995-L1002 HydrophobicContact CG-CD2 3.81Å; L996-L1002 CarbonylContact O-C 3.5Å; L996-L1002 WeakPolarHBondContact O-CA 3.13Å; N997-L1002 HydrophobicContact CB-CD2 3.97Å
1003I91.5Very high91.7Very high31 Ų3171.6 Ų71.616%0.15937%0.365CS..EExtended strand (participates in β ladder)trans-112.6111.6175.9-57.1173.5000107.8W994 L995 L996 R1005 L1043W994-I1003 HydrophobicContact CH2-CG2 4.36Å; W994-I1003 HydrophobicContact CZ3-CG2 4.15Å; L995-I1003 WeakPolarHBondContact CA-O 3.13Å; L996-I1003 HydrophobicContact CB-CB 4.44Å; L996-I1003 PolarHBondContact N-O 3.18Å; L996-I1003 PolarHBondContact O-N 2.61Å; I1003-R1005 HydrophobicContact CG2-CG 4.36Å; I1003-L1043 HydrophobicContact CD1-CD1 3.99Å; I1003-L1043 HydrophobicContact CD1-CD2 3.49Å; I1003-L1043 VanDerWaalsContact CD1-CD2 3.49Å; I1003-L1043 HydrophobicContact CD1-CG 4.4Å
1004K93.3Very high91.1Very high114 Ų11473.5 Ų73.550%0.49638%0.382SS..EExtended strand (participates in β ladder)trans-105.6129177.4-175.6175.7179.1169.40110.1E993 W994E993-K1004 WeakPolarHBondContact OE1-CE 3.28Å; E993-K1004 IonicContact OE1-NZ 3.98Å; E993-K1004 PolarHBondContact OE1-NZ 2.95Å; E993-K1004 WeakPolarHBondContact OE2-CE 3.37Å; E993-K1004 IonicContact OE2-NZ 3.21Å; E993-K1004 PolarHBondContact OE2-NZ 2.91Å; W994-K1004 WeakPolarHBondContact O-CA 3.27Å
1005R94Very high90.5Very high122 Ų12279.2 Ų79.246%0.4641%0.409SS..EExtended strand (participates in β ladder)trans-135.3128.5176.6-67.1-65.9-162.1178.33.8111E993 W994 I1003 E1039E993-R1005 WeakPolarHBondContact CA-O 3.47Å; W994-R1005 HydrophobicContact CD2-CB 3.98Å; W994-R1005 VanDerWaalsContact CE2-CB 3.49Å; W994-R1005 HydrophobicContact CE3-CB 4.34Å; W994-R1005 HydrophobicContact CH2-CB 3.85Å; W994-R1005 HydrophobicContact CH2-CG 3.41Å; W994-R1005 VanDerWaalsContact CH2-CG 3.41Å; W994-R1005 HydrophobicContact CZ2-CB 3.45Å; W994-R1005 VanDerWaalsContact CZ2-CB 3.45Å; W994-R1005 HydrophobicContact CZ2-CG 3.42Å; W994-R1005 VanDerWaalsContact CZ2-CG 3.42Å; W994-R1005 HydrophobicContact CZ3-CB 4.27Å; W994-R1005 HydrophobicContact CZ3-CG 4.02Å; W994-R1005 PolarHBondContact N-O 2.79Å; W994-R1005 PolarHBondContact O-N 2.79Å; I1003-R1005 HydrophobicContact CG2-CG 4.36Å; R1005-E1039 IonicContact CZ-OE1 2.73Å; R1005-E1039 IonicContact NE-OE1 3.73Å; R1005-E1039 PolarHBondContact NE-OE1 2.87Å; R1005-E1039 IonicContact NH2-OE1 2.75Å; R1005-E1039 PolarHBondContact NH2-OE1 2.64Å
1006P96.4Very high89.9Confident108 Ų10884.2 Ų84.270%0.70144%0.436SS*.EExtended strand (participates in β ladder)trans-79.2150.5168.633.2-33.1000110.7G992G992-P1006 WeakPolarHBondContact O-CA 3.48Å
1007F95.5Very high89.5Confident13 Ų1386.1 Ų86.16%0.05746%0.456CS..EExtended strand (participates in β ladder)trans-132.6144.1171.262-89.3000110.7V975 V977 V990 S991 G992 E993 W994 W1029 E1032V975-F1007 HydrophobicContact CG1-CE1 4.03Å; V975-F1007 HydrophobicContact CG1-CZ 4.18Å; V977-F1007 HydrophobicContact CG2-CZ 4.25Å; V990-F1007 HydrophobicContact CG1-CE2 3.98Å; S991-F1007 VanDerWaalsContact C-CE2 3.45Å; S991-F1007 WeakPolarHBondContact CA-O 3.5Å; G992-F1007 PolarHBondContact N-O 2.88Å; G992-F1007 PolarHBondContact O-N 3.39Å; E993-F1007 VanDerWaalsContact N-CE1 3.28Å; W994-F1007 AromaticContact CD1-CD1 3.68Å; F1007-W1029 HydrophobicContact CE2-CZ3 4.35Å; F1007-W1029 HydrophobicContact CZ-CZ3 4.21Å; F1007-E1032 HydrophobicContact CB-CG 4.22Å; F1007-E1032 WeakPolarHBondContact CB-OE1 3.5Å; F1007-E1032 WeakPolarHBondContact CB-OE2 3.45Å; F1007-E1032 HydrophobicContact CD1-CG 4.21Å; F1007-E1032 HydrophobicContact CD2-CG 4.01Å; F1007-E1032 HydrophobicContact CE2-CG 4.46Å; F1007-E1032 HydrophobicContact CG-CG 3.89Å
1008R96.2Very high89.3Confident141 Ų14186.9 Ų86.953%0.53246%0.456SS..EExtended strand (participates in β ladder)trans-149.9107.9172.6-173.2177.4-172.488.20.8108E979 I989E979-R1008 IonicContact OE2-CZ 2.99Å; E979-R1008 IonicContact OE2-NH1 2.62Å; E979-R1008 PolarHBondContact OE2-NH1 2.85Å; E979-R1008 IonicContact OE2-NH2 3.2Å; E979-R1008 PolarHBondContact OE2-NH2 3.26Å; I989-R1008 HydrophobicContact CD1-CG 4.41Å
1009L94.8Very high89.4Confident46 Ų4691 Ų9124%0.24148%0.478CS..EExtended strand (participates in β ladder)trans-121140.1-177.6-62.6165.3000109.4V990 V1028 Q1031 E1032V990-L1009 PolarHBondContact N-O 3.27Å; V990-L1009 PolarHBondContact O-N 3.16Å; L1009-V1028 HydrophobicContact CB-CG1 3.38Å; L1009-V1028 HydrophobicContact CD1-CG1 4.11Å; L1009-V1028 HydrophobicContact CG-CG1 4.41Å; L1009-Q1031 HydrophobicContact CD1-CB 4.45Å; L1009-E1032 HydrophobicContact CD1-CB 3.71Å
1010E93.8Very high89.8Confident92 Ų9284 Ų8443%0.4345%0.445SS..EExtended strand (participates in β ladder)trans-116.9136.3176.6-65.2-176.4-17700109.6K987 V988K987-E1010 WeakPolarHBondContact CD-OE2 3.42Å; K987-E1010 IonicContact NZ-OE2 2.81Å; K987-E1010 PolarHBondContact NZ-OE2 3.28Å; V988-E1010 WeakPolarHBondContact O-CA 3.32Å
1011G92.4Very high90.4Very high9 Ų981.2 Ų81.29%0.09342%0.415CS..EExtended strand (participates in β ladder)trans-116.8141.6172.500000110.7K987 V988K987-G1011 CarbonylContact C-O 3.59Å; K987-G1011 VanDerWaalsContact CA-O 3.24Å; K987-G1011 WeakPolarHBondContact CA-O 3.41Å; V988-G1011 PolarHBondContact N-O 2.9Å; V988-G1011 PolarHBondContact O-N 2.81Å
1012V92.5Very high90.7Very high105 Ų10575.2 Ų75.264%0.63639%0.388SS*.EExtended strand (participates in β ladder)trans-91.3130.7175.4-178.50000109
1013Q87.3Confident90.8Very high36 Ų3675.8 Ų75.817%0.16839%0.385CS..  trans-81.9126.4177.1-160.7179.7-2.100110.5G986 Q1015 G1017 E1020G986-Q1013 VanDerWaalsContact O-CB 3.28Å; G986-Q1013 WeakPolarHBondContact O-CB 3.25Å; G986-Q1013 PolarHBondContact O-N 2.91Å; Q1013-Q1015 VanDerWaalsContact CG-O 3.24Å; Q1013-Q1015 WeakPolarHBondContact CG-O 3.32Å; Q1013-Q1015 PolarHBondContact NE2-O 3.32Å; Q1013-G1017 PolarHBondContact NE2-O 3.46Å; Q1013-E1020 HydrophobicContact CG-CB 4.32Å; Q1013-E1020 HydrophobicContact CG-CG 3.66Å
1014T83.4Confident90.9Very high113 Ų11375.4 Ų75.469%0.69338%0.384SS*.SBendtrans-93.7-19.2-176.169.60000114.2E1020T1014-E1020 PolarHBondContact OG1-OE1 3.29Å
1015Q84.3Confident90.9Very high126 Ų12670 Ų7059%0.58936%0.36SS*.SBendtrans-138.4145179.8-59-178.31.700109.8Q1013 E1020Q1013-Q1015 VanDerWaalsContact CG-O 3.24Å; Q1013-Q1015 WeakPolarHBondContact CG-O 3.32Å; Q1013-Q1015 PolarHBondContact NE2-O 3.32Å; Q1015-E1020 HydrophobicContact CB-CB 4.1Å; Q1015-E1020 HydrophobicContact CB-CG 3.9Å; Q1015-E1020 VanDerWaalsContact O-CB 3.29Å; Q1015-E1020 WeakPolarHBondContact O-CB 3.35Å; Q1015-E1020 VanDerWaalsContact O-CG 3.24Å; Q1015-E1020 WeakPolarHBondContact O-CG 3.27Å
1016D80.4Confident90.8Very high163 Ų16364.7 Ų64.787%0.87234%0.343SS*.SBendtrans-68.2151.8176.2-65.9-23.6000111.5
1017G85.9Confident90.6Very high42 Ų4261.1 Ų61.143%0.43333%0.326SS..SBendtrans113.9161.1171.900000115.3Q1013 D1019 E1020 M1021Q1013-G1017 PolarHBondContact NE2-O 3.46Å; G1017-D1019 VanDerWaalsContact C-N 3.33Å; G1017-D1019 PolarHBondContact O-N 3.45Å; G1017-E1020 PolarHBondContact O-N 3.25Å; G1017-M1021 PolarHBondContact O-N 2.95Å; G1017-M1021 VanDerWaalsContact O-N 3.14Å
1018Y88.7Confident90.6Very high70 Ų7060.7 Ų60.728%0.27532%0.324SS..Hα-helixtrans-66.2-33.8-177.5-76.5-94.5000112.4Y883 V919 A931 N934 E1020 M1021 V1022Y883-Y1018 VanDerWaalsContact CZ-CB 3.47Å; Y883-Y1018 VanDerWaalsContact OH-CB 3.31Å; Y883-Y1018 WeakPolarHBondContact OH-CB 3.31Å; V919-Y1018 HydrophobicContact CB-CD1 4Å; V919-Y1018 HydrophobicContact CB-CE1 3.99Å; V919-Y1018 HydrophobicContact CG1-CD1 3.89Å; V919-Y1018 HydrophobicContact CG1-CE1 4.04Å; A931-Y1018 HydrophobicContact CB-CE1 3.85Å; N934-Y1018 HydrophobicContact CB-CD1 3.66Å; N934-Y1018 HydrophobicContact CB-CD2 4.2Å; N934-Y1018 HydrophobicContact CB-CE1 3.85Å; N934-Y1018 HydrophobicContact CB-CE2 4.38Å; N934-Y1018 HydrophobicContact CB-CG 3.86Å; N934-Y1018 WeakPolarHBondContact ND2-CD2 3.35Å; N934-Y1018 WeakPolarHBondContact ND2-CE2 3.04Å; Y1018-E1020 PolarHBondContact O-N 3.45Å; Y1018-M1021 HydrophobicContact CD1-CE 3.43Å; Y1018-M1021 VanDerWaalsContact CD1-CE 3.43Å; Y1018-M1021 HydrophobicContact CE1-CE 3.83Å; Y1018-M1021 HydrophobicContact CG-CE 4.28Å; Y1018-M1021 PolarHBondContact O-N 3.41Å; Y1018-V1022 WeakPolarHBondContact O-CB 3.27Å; Y1018-V1022 VanDerWaalsContact O-CG2 3.29Å; Y1018-V1022 WeakPolarHBondContact O-CG2 3.23Å; Y1018-V1022 PolarHBondContact O-N 2.94Å
1019D89.5Confident90.5Very high97 Ų9754.1 Ų54.152%0.51930%0.3SS..Hα-helixtrans-58.7-47.6177.7-64.917.1000112.1Y883 G1017 K1023Y883-D1019 WeakPolarHBondContact CE1-OD1 2.98Å; Y883-D1019 PolarHBondContact OH-OD1 2.78Å; G1017-D1019 VanDerWaalsContact C-N 3.33Å; G1017-D1019 PolarHBondContact O-N 3.45Å; D1019-K1023 VanDerWaalsContact O-CG 3.29Å; D1019-K1023 WeakPolarHBondContact O-CG 3.41Å; D1019-K1023 PolarHBondContact O-N 3.37Å; D1019-K1023 VanDerWaalsContact O-N 3.15Å
1020E91.3Very high90.4Very high25 Ų2553.6 Ų53.612%0.11730%0.3CS..Hα-helixtrans-69.8-43.2177-178.268.817800110.8Q1013 T1014 Q1015 G1017 Y1018 V1022 K1023 V1024Q1013-E1020 HydrophobicContact CG-CB 4.32Å; Q1013-E1020 HydrophobicContact CG-CG 3.66Å; T1014-E1020 PolarHBondContact OG1-OE1 3.29Å; Q1015-E1020 HydrophobicContact CB-CB 4.1Å; Q1015-E1020 HydrophobicContact CB-CG 3.9Å; Q1015-E1020 VanDerWaalsContact O-CB 3.29Å; Q1015-E1020 WeakPolarHBondContact O-CB 3.35Å; Q1015-E1020 VanDerWaalsContact O-CG 3.24Å; Q1015-E1020 WeakPolarHBondContact O-CG 3.27Å; G1017-E1020 PolarHBondContact O-N 3.25Å; Y1018-E1020 PolarHBondContact O-N 3.45Å; E1020-V1022 VanDerWaalsContact C-N 3.3Å; E1020-V1022 PolarHBondContact O-N 2.86Å; E1020-K1023 WeakPolarHBondContact O-CB 3.07Å; E1020-K1023 PolarHBondContact O-N 2.84Å; E1020-K1023 VanDerWaalsContact O-N 3.13Å; E1020-V1024 HydrophobicContact CG-CG2 4.21Å; E1020-V1024 VanDerWaalsContact O-CG2 3.3Å; E1020-V1024 WeakPolarHBondContact O-CG2 3.3Å; E1020-V1024 PolarHBondContact O-N 2.88Å
1021M91.9Very high90.3Very high6 Ų654.8 Ų54.83%0.0331%0.305CS..Hα-helixtrans-55.9-45.4177.6-173.2-18065.400111.8V919 Y921 V988 G1017 Y1018 V1024 L1025V919-M1021 HydrophobicContact CB-CE 4.5Å; V919-M1021 HydrophobicContact CG1-CE 3.23Å; Y921-M1021 HydrophobicContact CD2-SD 3.96Å; V988-M1021 HydrophobicContact CG1-CG 3.68Å; G1017-M1021 PolarHBondContact O-N 2.95Å; G1017-M1021 VanDerWaalsContact O-N 3.14Å; Y1018-M1021 HydrophobicContact CD1-CE 3.43Å; Y1018-M1021 VanDerWaalsContact CD1-CE 3.43Å; Y1018-M1021 HydrophobicContact CE1-CE 3.83Å; Y1018-M1021 HydrophobicContact CG-CE 4.28Å; Y1018-M1021 PolarHBondContact O-N 3.41Å; M1021-V1024 PolarHBondContact O-N 2.77Å; M1021-L1025 HydrophobicContact CG-CD1 4.14Å; M1021-L1025 WeakPolarHBondContact O-CB 3.34Å; M1021-L1025 WeakPolarHBondContact O-CG 3.26Å; M1021-L1025 PolarHBondContact O-N 3.22Å
1022V92.2Very high90.4Very high7 Ų754.8 Ų54.84%0.04230%0.303CS..Hα-helixtrans-66.9-38.6178.5171.50000111.5Y883 L885 W936 Y1018 E1020 A1026Y883-V1022 HydrophobicContact CD1-CB 4.11Å; Y883-V1022 HydrophobicContact CD1-CG1 4.34Å; Y883-V1022 HydrophobicContact CD1-CG2 3.68Å; Y883-V1022 HydrophobicContact CE1-CG2 4.39Å; Y883-V1022 HydrophobicContact CG-CG2 3.94Å; L885-V1022 HydrophobicContact CD2-CG1 4.35Å; W936-V1022 HydrophobicContact CH2-CG1 4.48Å; W936-V1022 HydrophobicContact CH2-CG2 4.07Å; W936-V1022 HydrophobicContact CZ3-CG1 4.17Å; W936-V1022 HydrophobicContact CZ3-CG2 4.23Å; Y1018-V1022 WeakPolarHBondContact O-CB 3.27Å; Y1018-V1022 VanDerWaalsContact O-CG2 3.29Å; Y1018-V1022 WeakPolarHBondContact O-CG2 3.23Å; Y1018-V1022 PolarHBondContact O-N 2.94Å; E1020-V1022 VanDerWaalsContact C-N 3.3Å; E1020-V1022 PolarHBondContact O-N 2.86Å; V1022-A1026 WeakPolarHBondContact O-CB 3.26Å; V1022-A1026 PolarHBondContact O-N 3.43Å
1023K91.5Very high90.4Very high126 Ų12649.8 Ų49.855%0.54827%0.273SS..Hα-helixtrans-62.6-44.3173.7-74170.5-172.5169.30112.1D1019 E1020 A1026 G1027D1019-K1023 VanDerWaalsContact O-CG 3.29Å; D1019-K1023 WeakPolarHBondContact O-CG 3.41Å; D1019-K1023 PolarHBondContact O-N 3.37Å; D1019-K1023 VanDerWaalsContact O-N 3.15Å; E1020-K1023 WeakPolarHBondContact O-CB 3.07Å; E1020-K1023 PolarHBondContact O-N 2.84Å; E1020-K1023 VanDerWaalsContact O-N 3.13Å; K1023-A1026 PolarHBondContact O-N 3.31Å; K1023-G1027 PolarHBondContact O-N 3.32Å
1024V93Very high90.6Very high22 Ų2249.2 Ų49.213%0.13327%0.274CS..Hα-helixtrans-68.3-43.3179.3-1760000110.4V988 E1020 M1021 A1026 G1027 V1028V988-V1024 HydrophobicContact CG1-CB 4.47Å; V988-V1024 HydrophobicContact CG1-CG1 4.49Å; V988-V1024 HydrophobicContact CG2-CB 4.04Å; V988-V1024 HydrophobicContact CG2-CG1 3.42Å; V988-V1024 VanDerWaalsContact CG2-CG1 3.42Å; E1020-V1024 HydrophobicContact CG-CG2 4.21Å; E1020-V1024 VanDerWaalsContact O-CG2 3.3Å; E1020-V1024 WeakPolarHBondContact O-CG2 3.3Å; E1020-V1024 PolarHBondContact O-N 2.88Å; M1021-V1024 PolarHBondContact O-N 2.77Å; V1024-A1026 VanDerWaalsContact C-N 3.32Å; V1024-A1026 PolarHBondContact O-N 3.27Å; V1024-G1027 PolarHBondContact O-N 3.42Å; V1024-G1027 VanDerWaalsContact O-N 3.14Å; V1024-V1028 HydrophobicContact CG1-CG2 4.43Å; V1024-V1028 WeakPolarHBondContact O-CG2 3.25Å; V1024-V1028 PolarHBondContact O-N 3.31Å
1025L94.5Very high91.1Very high0 Ų046.6 Ų46.60%026%0.26CS..Hα-helixtrans-56.1-44.8172.8-80.4168.4000111.9F980 V988 V990 M1021 V1028 W1029F980-L1025 HydrophobicContact CD1-CD1 4.21Å; F980-L1025 HydrophobicContact CD1-CD2 4.24Å; F980-L1025 HydrophobicContact CD2-CD2 4.39Å; F980-L1025 HydrophobicContact CE1-CB 3.99Å; F980-L1025 HydrophobicContact CE1-CD1 3.92Å; F980-L1025 HydrophobicContact CE1-CD2 4.18Å; F980-L1025 HydrophobicContact CE1-CG 4.26Å; F980-L1025 HydrophobicContact CE2-CB 4.46Å; F980-L1025 HydrophobicContact CE2-CD2 4.32Å; F980-L1025 HydrophobicContact CG-CD2 4.35Å; F980-L1025 HydrophobicContact CZ-CB 3.78Å; F980-L1025 HydrophobicContact CZ-CD2 4.22Å; F980-L1025 HydrophobicContact CZ-CG 4.41Å; V988-L1025 HydrophobicContact CB-CD2 3.81Å; V988-L1025 HydrophobicContact CB-CG 3.97Å; V988-L1025 HydrophobicContact CG1-CG 4.16Å; V988-L1025 HydrophobicContact CG2-CD2 4.17Å; V988-L1025 HydrophobicContact CG2-CG 4.27Å; V990-L1025 HydrophobicContact CG2-CD2 3.76Å; M1021-L1025 HydrophobicContact CG-CD1 4.14Å; M1021-L1025 WeakPolarHBondContact O-CB 3.34Å; M1021-L1025 WeakPolarHBondContact O-CG 3.26Å; M1021-L1025 PolarHBondContact O-N 3.22Å; L1025-V1028 PolarHBondContact O-N 2.88Å; L1025-W1029 WeakPolarHBondContact O-CB 3.41Å; L1025-W1029 PolarHBondContact O-N 2.77Å
1026A92.4Very high91.5Very high12 Ų1240.6 Ų40.610%0.09923%0.232CC..Hα-helixtrans-64.6-38.8176.600000112.6L885 P886 V1022 K1023 V1024 W1029 S1030L885-A1026 HydrophobicContact CD2-CB 3.96Å; P886-A1026 HydrophobicContact CG-CB 3.66Å; V1022-A1026 WeakPolarHBondContact O-CB 3.26Å; V1022-A1026 PolarHBondContact O-N 3.43Å; K1023-A1026 PolarHBondContact O-N 3.31Å; V1024-A1026 VanDerWaalsContact C-N 3.32Å; V1024-A1026 PolarHBondContact O-N 3.27Å; A1026-W1029 PolarHBondContact O-N 3.07Å; A1026-S1030 WeakPolarHBondContact O-CB 3.33Å; A1026-S1030 PolarHBondContact O-N 2.82Å
1027G92.1Very high92Very high33 Ų3332.8 Ų32.834%0.3419%0.191SC..Hα-helixtrans-62.2-46.5173.600000112.5K1023 V1024 S1030 Q1031K1023-G1027 PolarHBondContact O-N 3.32Å; V1024-G1027 PolarHBondContact O-N 3.42Å; V1024-G1027 VanDerWaalsContact O-N 3.14Å; G1027-S1030 WeakPolarHBondContact O-CB 3.23Å; G1027-S1030 PolarHBondContact O-N 3.48Å; G1027-Q1031 WeakPolarHBondContact O-CG 3.26Å; G1027-Q1031 PolarHBondContact O-N 3.12Å
1028V94Very high92.3Very high4 Ų436.1 Ų36.12%0.02420%0.195CC..Hα-helixtrans-63.2-42.3176.8177.10000111.1V988 V990 L1009 V1024 L1025 S1030 Q1031 E1032V988-V1028 HydrophobicContact CG2-CG2 4.12Å; V990-V1028 HydrophobicContact CB-CG1 3.68Å; V990-V1028 HydrophobicContact CG2-CB 3.98Å; V990-V1028 HydrophobicContact CG2-CG1 3.61Å; L1009-V1028 HydrophobicContact CB-CG1 3.38Å; L1009-V1028 HydrophobicContact CD1-CG1 4.11Å; L1009-V1028 HydrophobicContact CG-CG1 4.41Å; V1024-V1028 HydrophobicContact CG1-CG2 4.43Å; V1024-V1028 WeakPolarHBondContact O-CG2 3.25Å; V1024-V1028 PolarHBondContact O-N 3.31Å; L1025-V1028 PolarHBondContact O-N 2.88Å; V1028-S1030 VanDerWaalsContact C-N 3.35Å; V1028-S1030 PolarHBondContact O-N 3.21Å; V1028-Q1031 WeakPolarHBondContact O-CB 3.37Å; V1028-Q1031 PolarHBondContact O-N 3.37Å; V1028-E1032 PolarHBondContact O-N 2.88Å
1029W95Very high92.4Very high3 Ų334.5 Ų34.51%0.01119%0.19CC..Hα-helixtrans-62.5-39.8174.5-175.9-120.2000112.8L944 T947 L948 V975 V977 F980 V990 F1007 L1025 A1026 Q1031 E1032 A1033L944-W1029 HydrophobicContact CB-CZ2 3.86Å; L944-W1029 HydrophobicContact CD2-CD2 3.69Å; L944-W1029 HydrophobicContact CD2-CE3 4.15Å; L944-W1029 HydrophobicContact CD2-CG 4.02Å; L944-W1029 HydrophobicContact CD2-CH2 4.32Å; L944-W1029 HydrophobicContact CD2-CZ2 3.9Å; L944-W1029 HydrophobicContact CD2-CZ3 4.45Å; L944-W1029 HydrophobicContact CG-CZ2 4.43Å; L944-W1029 PolarHBondContact O-NE1 2.96Å; T947-W1029 PolarHBondContact OG1-NE1 3.49Å; L948-W1029 HydrophobicContact CB-CZ2 4.04Å; L948-W1029 HydrophobicContact CD1-CZ2 4.39Å; L948-W1029 HydrophobicContact CD2-CZ2 4.31Å; L948-W1029 HydrophobicContact CG-CZ2 4.49Å; V975-W1029 HydrophobicContact CG1-CH2 3.95Å; V977-W1029 HydrophobicContact CG2-CH2 3.82Å; V977-W1029 HydrophobicContact CG2-CZ3 3.82Å; F980-W1029 HydrophobicContact CE2-CB 4.3Å; V990-W1029 HydrophobicContact CG1-CE3 3.91Å; V990-W1029 HydrophobicContact CG1-CZ3 4.4Å; F1007-W1029 HydrophobicContact CE2-CZ3 4.35Å; F1007-W1029 HydrophobicContact CZ-CZ3 4.21Å; L1025-W1029 WeakPolarHBondContact O-CB 3.41Å; L1025-W1029 PolarHBondContact O-N 2.77Å; A1026-W1029 PolarHBondContact O-N 3.07Å; W1029-Q1031 VanDerWaalsContact C-N 3.28Å; W1029-Q1031 PolarHBondContact O-N 2.8Å; W1029-E1032 PolarHBondContact O-N 3.15Å; W1029-A1033 PolarHBondContact O-N 3.01Å
1030S91.7Very high92.4Very high35 Ų3529.9 Ų29.925%0.24517%0.165CC..Hα-helixtrans-65.1-30.6174.9-173.90000112.9A1026 G1027 V1028 A1034A1026-S1030 WeakPolarHBondContact O-CB 3.33Å; A1026-S1030 PolarHBondContact O-N 2.82Å; G1027-S1030 WeakPolarHBondContact O-CB 3.23Å; G1027-S1030 PolarHBondContact O-N 3.48Å; V1028-S1030 VanDerWaalsContact C-N 3.35Å; V1028-S1030 PolarHBondContact O-N 3.21Å; S1030-A1034 PolarHBondContact O-N 3.18Å; S1030-A1034 VanDerWaalsContact O-N 3.12Å
1031Q92.6Very high92.2Very high117 Ų11734.3 Ų34.355%0.54718%0.184SC..Hα-helixtrans-68.1-42.1173.6-71173.62.800111.3L1009 G1027 V1028 W1029 A1034 S1035L1009-Q1031 HydrophobicContact CD1-CB 4.45Å; G1027-Q1031 WeakPolarHBondContact O-CG 3.26Å; G1027-Q1031 PolarHBondContact O-N 3.12Å; V1028-Q1031 WeakPolarHBondContact O-CB 3.37Å; V1028-Q1031 PolarHBondContact O-N 3.37Å; W1029-Q1031 VanDerWaalsContact C-N 3.28Å; W1029-Q1031 PolarHBondContact O-N 2.8Å; Q1031-A1034 WeakPolarHBondContact O-CB 3.35Å; Q1031-A1034 PolarHBondContact O-N 3.06Å; Q1031-A1034 VanDerWaalsContact O-N 3.14Å; Q1031-S1035 PolarHBondContact O-N 3.21Å
1032E94.5Very high92Very high9 Ų942.4 Ų42.44%0.04221%0.214CC..Hα-helixtrans-64.8-42.7175-174.153.7-153.200111.6W994 F1007 L1009 V1028 W1029 A1034 S1035 I1036W994-E1032 PolarHBondContact NE1-OE1 2.78Å; F1007-E1032 HydrophobicContact CB-CG 4.22Å; F1007-E1032 WeakPolarHBondContact CB-OE1 3.5Å; F1007-E1032 WeakPolarHBondContact CB-OE2 3.45Å; F1007-E1032 HydrophobicContact CD1-CG 4.21Å; F1007-E1032 HydrophobicContact CD2-CG 4.01Å; F1007-E1032 HydrophobicContact CE2-CG 4.46Å; F1007-E1032 HydrophobicContact CG-CG 3.89Å; L1009-E1032 HydrophobicContact CD1-CB 3.71Å; V1028-E1032 PolarHBondContact O-N 2.88Å; W1029-E1032 PolarHBondContact O-N 3.15Å; E1032-A1034 PolarHBondContact O-N 3.36Å; E1032-S1035 WeakPolarHBondContact O-CA 3.4Å; E1032-S1035 WeakPolarHBondContact O-CB 3.29Å; E1032-S1035 PolarHBondContact O-N 3.26Å; E1032-I1036 HydrophobicContact CG-CD1 4.1Å; E1032-I1036 HydrophobicContact CG-CG1 4.44Å; E1032-I1036 WeakPolarHBondContact O-CG1 3.45Å; E1032-I1036 PolarHBondContact O-N 3.43Å
1033A92.5Very high91.5Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-57.2-33.8173.700000112.1L948 N951 W1029 A1037L948-A1033 HydrophobicContact CD1-CB 3.85Å; N951-A1033 HydrophobicContact CB-CB 3.57Å; W1029-A1033 PolarHBondContact O-N 3.01Å; A1033-A1037 WeakPolarHBondContact O-CB 3.34Å; A1033-A1037 PolarHBondContact O-N 3.04Å
1034A91.7Very high90.3Very high24 Ų2443.8 Ų43.820%0.19824%0.235CC..Hα-helixtrans-70.7-40174.200000113.6Q955 S1030 Q1031 E1032 A1037 Q1038Q955-A1034 VanDerWaalsContact NE2-CB 3.28Å; S1030-A1034 PolarHBondContact O-N 3.18Å; S1030-A1034 VanDerWaalsContact O-N 3.12Å; Q1031-A1034 WeakPolarHBondContact O-CB 3.35Å; Q1031-A1034 PolarHBondContact O-N 3.06Å; Q1031-A1034 VanDerWaalsContact O-N 3.14Å; E1032-A1034 PolarHBondContact O-N 3.36Å; A1034-A1037 PolarHBondContact O-N 3.29Å; A1034-Q1038 WeakPolarHBondContact O-CG 3.41Å; A1034-Q1038 PolarHBondContact O-N 3.43Å
1035S92.6Very high90.1Very high57 Ų5744.9 Ų44.940%0.39924%0.24SC..Hα-helixtrans-60.2-48.2173.8-176.30000111.1Q1031 E1032 A1037 Q1038 E1039Q1031-S1035 PolarHBondContact O-N 3.21Å; E1032-S1035 WeakPolarHBondContact O-CA 3.4Å; E1032-S1035 WeakPolarHBondContact O-CB 3.29Å; E1032-S1035 PolarHBondContact O-N 3.26Å; S1035-A1037 PolarHBondContact O-N 3.35Å; S1035-Q1038 PolarHBondContact O-N 3.38Å; S1035-E1039 PolarHBondContact O-N 3.45Å
1036I93.1Very high89.9Confident0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-58-47.8175-65.5168.6000110.4L948 L952 L973 W994 E1032 Q1038 E1039 I1040L948-I1036 HydrophobicContact CD1-CD1 4.16Å; L952-I1036 HydrophobicContact CD2-CB 4.27Å; L952-I1036 HydrophobicContact CD2-CG2 3.9Å; L973-I1036 HydrophobicContact CD2-CG2 4.03Å; W994-I1036 HydrophobicContact CD2-CG1 4.25Å; W994-I1036 HydrophobicContact CG-CD1 4.16Å; W994-I1036 HydrophobicContact CG-CG1 4.22Å; W994-I1036 HydrophobicContact CZ2-CG1 4.33Å; E1032-I1036 HydrophobicContact CG-CD1 4.1Å; E1032-I1036 HydrophobicContact CG-CG1 4.44Å; E1032-I1036 WeakPolarHBondContact O-CG1 3.45Å; E1032-I1036 PolarHBondContact O-N 3.43Å; I1036-Q1038 VanDerWaalsContact C-N 3.33Å; I1036-Q1038 PolarHBondContact O-N 3.45Å; I1036-E1039 PolarHBondContact O-N 3.32Å; I1036-I1040 HydrophobicContact CG2-CD1 3.71Å; I1036-I1040 HydrophobicContact CG2-CG1 4.36Å; I1036-I1040 VanDerWaalsContact O-CG1 3.32Å; I1036-I1040 WeakPolarHBondContact O-CG1 3.44Å; I1036-I1040 PolarHBondContact O-N 3.14Å
1037A92.3Very high89.8Confident0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-61.7-37.6178.200000113L952 Q955 L956 A1033 A1034 S1035 K1041L952-A1037 HydrophobicContact CD2-CB 4.04Å; Q955-A1037 HydrophobicContact CB-CB 3.69Å; L956-A1037 HydrophobicContact CD2-CB 4.18Å; L956-A1037 HydrophobicContact CG-CB 4.12Å; A1033-A1037 WeakPolarHBondContact O-CB 3.34Å; A1033-A1037 PolarHBondContact O-N 3.04Å; A1034-A1037 PolarHBondContact O-N 3.29Å; S1035-A1037 PolarHBondContact O-N 3.35Å; A1037-K1041 WeakPolarHBondContact O-CB 3.49Å; A1037-K1041 VanDerWaalsContact O-CG 3.28Å; A1037-K1041 WeakPolarHBondContact O-CG 3.39Å; A1037-K1041 PolarHBondContact O-N 2.95Å
1038Q91.2Very high89.6Confident111 Ų11150.2 Ų50.252%0.51926%0.256SS..Hα-helixtrans-66.6-40.1175-78.5-173.60.100112.4A1034 S1035 I1036 K1041 R1042A1034-Q1038 WeakPolarHBondContact O-CG 3.41Å; A1034-Q1038 PolarHBondContact O-N 3.43Å; S1035-Q1038 PolarHBondContact O-N 3.38Å; I1036-Q1038 VanDerWaalsContact C-N 3.33Å; I1036-Q1038 PolarHBondContact O-N 3.45Å; Q1038-K1041 PolarHBondContact O-N 3.29Å; Q1038-R1042 WeakPolarHBondContact O-CG 3.24Å; Q1038-R1042 PolarHBondContact O-N 3.41Å
1039E90.3Very high89.3Confident36 Ų3653.1 Ų53.117%0.16827%0.271CS..Hα-helixtrans-68.6-41.4177.6-160.577.915800110.8W994 R1005 S1035 I1036 K1041 R1042W994-E1039 HydrophobicContact CH2-CB 4.28Å; W994-E1039 HydrophobicContact CH2-CG 4.05Å; W994-E1039 HydrophobicContact CZ2-CB 4.47Å; R1005-E1039 IonicContact CZ-OE1 2.73Å; R1005-E1039 IonicContact NE-OE1 3.73Å; R1005-E1039 PolarHBondContact NE-OE1 2.87Å; R1005-E1039 IonicContact NH2-OE1 2.75Å; R1005-E1039 PolarHBondContact NH2-OE1 2.64Å; S1035-E1039 PolarHBondContact O-N 3.45Å; I1036-E1039 PolarHBondContact O-N 3.32Å; E1039-K1041 VanDerWaalsContact C-N 3.31Å; E1039-K1041 PolarHBondContact O-N 3.49Å; E1039-R1042 WeakPolarHBondContact O-CB 3.42Å; E1039-R1042 PolarHBondContact O-N 3.38Å; E1039-R1042 IonicContact OE2-CZ 2.95Å; E1039-R1042 IonicContact OE2-NH1 2.9Å; E1039-R1042 PolarHBondContact OE2-NH1 3.37Å
1040I89.9Confident89Confident1 Ų156.4 Ų56.41%0.00529%0.288CS..Hα-helixtrans-60.3-39.3174.1-68.2171.2000111.4L903 L956 W959 L996 I1036 R1042 L1043L903-I1040 HydrophobicContact CD1-CD1 4.41Å; L903-I1040 HydrophobicContact CD2-CD1 3.77Å; L956-I1040 HydrophobicContact CD1-CD1 4.2Å; L956-I1040 HydrophobicContact CD1-CG2 4.11Å; L956-I1040 HydrophobicContact CD2-CB 4.28Å; L956-I1040 HydrophobicContact CD2-CG2 3.97Å; W959-I1040 HydrophobicContact CH2-CG2 3.74Å; W959-I1040 HydrophobicContact CZ2-CG2 3.63Å; W959-I1040 HydrophobicContact CZ3-CG2 4.26Å; L996-I1040 HydrophobicContact CD2-CG1 3.92Å; I1036-I1040 HydrophobicContact CG2-CD1 3.71Å; I1036-I1040 HydrophobicContact CG2-CG1 4.36Å; I1036-I1040 VanDerWaalsContact O-CG1 3.32Å; I1036-I1040 WeakPolarHBondContact O-CG1 3.44Å; I1036-I1040 PolarHBondContact O-N 3.14Å; I1040-R1042 PolarHBondContact O-N 3.4Å; I1040-L1043 WeakPolarHBondContact O-CB 3.39Å; I1040-L1043 PolarHBondContact O-N 3.41Å
1041K87.8Confident88.8Confident117 Ų11757.9 Ų57.951%0.50929%0.291SS..Hα-helixtrans-64.5-21.2175.7-78.3174.2-175.2175.50114.2Q955 L956 A1037 Q1038 E1039Q955-K1041 WeakPolarHBondContact O-CE 3.33Å; Q955-K1041 PolarHBondContact O-NZ 3.31Å; L956-K1041 HydrophobicContact CD2-CD 4.5Å; L956-K1041 HydrophobicContact CD2-CG 3.81Å; A1037-K1041 WeakPolarHBondContact O-CB 3.49Å; A1037-K1041 VanDerWaalsContact O-CG 3.28Å; A1037-K1041 WeakPolarHBondContact O-CG 3.39Å; A1037-K1041 PolarHBondContact O-N 2.95Å; Q1038-K1041 PolarHBondContact O-N 3.29Å; E1039-K1041 VanDerWaalsContact C-N 3.31Å; E1039-K1041 PolarHBondContact O-N 3.49Å
1042R86.2Confident88.5Confident176 Ų17653.4 Ų53.466%0.66427%0.271SS*.THydrogen-bonded Turntrans-85.2-12.5177.9-68.6170.5-177.6166-0.8112.7Q1038 E1039 I1040Q1038-R1042 WeakPolarHBondContact O-CG 3.24Å; Q1038-R1042 PolarHBondContact O-N 3.41Å; E1039-R1042 WeakPolarHBondContact O-CB 3.42Å; E1039-R1042 PolarHBondContact O-N 3.38Å; E1039-R1042 IonicContact OE2-CZ 2.95Å; E1039-R1042 IonicContact OE2-NH1 2.9Å; E1039-R1042 PolarHBondContact OE2-NH1 3.37Å; I1040-R1042 PolarHBondContact O-N 3.4Å
1043L82.3Confident88Confident28 Ų2857.1 Ų57.115%0.14729%0.29CS..  trans-78.1139.2179.1-61.5172.2000110.8L996 H998 I1003 I1040L996-L1043 HydrophobicContact CD2-CD1 3.37Å; H998-L1043 HydrophobicContact CB-CD1 4.37Å; I1003-L1043 HydrophobicContact CD1-CD1 3.99Å; I1003-L1043 HydrophobicContact CD1-CD2 3.49Å; I1003-L1043 VanDerWaalsContact CD1-CD2 3.49Å; I1003-L1043 HydrophobicContact CD1-CG 4.4Å; I1040-L1043 WeakPolarHBondContact O-CB 3.39Å; I1040-L1043 PolarHBondContact O-N 3.41Å
1044P65.9Low87.6Confident135 Ų13562.3 Ų62.388%0.87732%0.317SS*.  trans-59.50-173.421.3-30.8000115.1R901R901-P1044 PolarHBondContact NH1-O 2.94Å; R901-P1044 PolarHBondContact NH2-O 3.25Å; R901-P1044 PolarHBondContact NH2-OXT 3.14Å

Retrieved 1,044 of 1,044 residues in 4121.1 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).