A0A077YUR3_TRITR Loading...

Ephrin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YUR3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M80.8Confident86.3Confident180 Ų180117.5 Ų117.589%0.88759%0.593SS**  0124.90-71.5-58.414800108.3T3 Q9M1-T3 PolarHBondContact O-N 3.12Å; M1-Q9 PolarHBondContact O-NE2 3.19Å; M1-Q9 PolarHBondContact O-OE1 2.93Å
2C85.7Confident86.2Confident93 Ų93114.4 Ų114.463%0.62859%0.585SS**  trans-92.973.6-171.4-56.90000112.1
3T88.2Confident86.2Confident77 Ų77106.4 Ų106.447%0.47254%0.544SS..  trans-102.3-9-177.352.80000114.8M1 P5M1-T3 PolarHBondContact O-N 3.12Å; T3-P5 WeakPolarHBondContact O-CD 2.79Å
4A88.5Confident86.2Confident43 Ų43102.9 Ų102.936%0.35553%0.531SS..  trans-111.695.7-178.500000110.1Y6 K7A4-Y6 VanDerWaalsContact C-N 3.28Å; A4-Y6 PolarHBondContact O-N 3.16Å; A4-K7 HydrophobicContact CB-CB 4.1Å; A4-K7 PolarHBondContact O-N 3Å; A4-K7 VanDerWaalsContact O-N 3.14Å
5P84.6Confident86.3Confident91 Ų9196.1 Ų96.159%0.59150%0.495SS*.THydrogen-bonded Turntrans-65.5-28.4-169.624.5-34000113.7T3 K7T3-P5 WeakPolarHBondContact O-CD 2.79Å; P5-K7 VanDerWaalsContact C-N 3.29Å; P5-K7 PolarHBondContact O-N 2.74Å
6Y90.1Very high86.4Confident227 Ų22794.8 Ų94.889%0.8948%0.482SS*.THydrogen-bonded Turntrans-85.41.4179.8-50.9-67.5000113.8A4A4-Y6 VanDerWaalsContact C-N 3.28Å; A4-Y6 PolarHBondContact O-N 3.16Å
7K88.2Confident86.4Confident152 Ų15295.8 Ų95.866%0.66148%0.478SS*.SBendtrans-115.2114-179.7-173.7175.6-178.2176.90109.6A4 P5 Q9A4-K7 HydrophobicContact CB-CB 4.1Å; A4-K7 PolarHBondContact O-N 3Å; A4-K7 VanDerWaalsContact O-N 3.14Å; P5-K7 VanDerWaalsContact C-N 3.29Å; P5-K7 PolarHBondContact O-N 2.74Å; K7-Q9 PolarHBondContact O-N 3.35Å
8K87Confident86.5Confident170 Ų170100.1 Ų100.174%0.73949%0.49SS*.  trans-60.6126.7171.4-172.3175.5-178177.30109.6
9Q86.1Confident86.6Confident73 Ų7396 Ų9634%0.34147%0.472SS..  trans-113.8137175.9-56.9-171.428.700109.1M1 K7M1-Q9 PolarHBondContact O-NE2 3.19Å; M1-Q9 PolarHBondContact O-OE1 2.93Å; K7-Q9 PolarHBondContact O-N 3.35Å
10I85.5Confident86.6Confident94 Ų9496.4 Ų96.448%0.48248%0.482SS..  trans-123.8134.3177.6-60.5174.3000107
11I85Confident86.7Confident92 Ų9297 Ų9747%0.47249%0.486SS..EExtended strand (participates in β ladder)trans-114.5124.4174.4-58.6175.1000107.2V13I11-V13 HydrophobicContact CG2-CG2 4.32Å
12T85.4Confident87Confident81 Ų8193.9 Ų93.950%0.49748%0.479SS..EExtended strand (participates in β ladder)trans-101.5126.6175.1-56.50000109L129T12-L129 HydrophobicContact CG2-CD1 3.56Å; T12-L129 HydrophobicContact CG2-CG 4.3Å
13V85.9Confident87Confident10 Ų1097.8 Ų97.86%0.06149%0.494CS..EExtended strand (participates in β ladder)trans-110.2125.2178.3-174.10000108.6I11 F15 F27 L35 L130 L132I11-V13 HydrophobicContact CG2-CG2 4.32Å; V13-F15 HydrophobicContact CB-CE2 4.03Å; V13-F15 HydrophobicContact CB-CZ 4.3Å; V13-F15 HydrophobicContact CG1-CD2 4.31Å; V13-F15 HydrophobicContact CG1-CE1 4.23Å; V13-F15 HydrophobicContact CG1-CE2 3.71Å; V13-F15 HydrophobicContact CG1-CZ 3.66Å; V13-F27 HydrophobicContact CG1-CE1 4.48Å; V13-F27 HydrophobicContact CG1-CE2 3.86Å; V13-F27 HydrophobicContact CG1-CZ 3.57Å; V13-L35 HydrophobicContact CG2-CD1 4.39Å; V13-L130 PolarHBondContact N-O 3.14Å; V13-L130 PolarHBondContact O-N 3.49Å; V13-L130 VanDerWaalsContact O-N 3.14Å; V13-L132 HydrophobicContact CG2-CD1 3.99Å
14V86.2Confident86.9Confident58 Ų5895.1 Ų95.135%0.35248%0.482SS..EExtended strand (participates in β ladder)trans-106.7115.6179.6-169.70000108.5R16 F27 L129V14-R16 HydrophobicContact CG1-CG 4.32Å; V14-R16 PolarHBondContact O-N 3.4Å; V14-F27 VanDerWaalsContact O-CD2 3.3Å; V14-F27 WeakPolarHBondContact O-CD2 3.29Å; V14-F27 WeakPolarHBondContact O-CE2 3.37Å; V14-L129 HydrophobicContact CB-CD1 4.34Å; V14-L129 HydrophobicContact CG1-CD1 4.43Å; V14-L129 HydrophobicContact CG2-CD1 3.64Å
15F87.3Confident86.9Confident0 Ų098.8 Ų98.80%050%0.495CS..  trans-87.495.3-178.3-65.9-92.4000109.8V13 F27 F63 V65 I124 G127 A128 L130V13-F15 HydrophobicContact CB-CE2 4.03Å; V13-F15 HydrophobicContact CB-CZ 4.3Å; V13-F15 HydrophobicContact CG1-CD2 4.31Å; V13-F15 HydrophobicContact CG1-CE1 4.23Å; V13-F15 HydrophobicContact CG1-CE2 3.71Å; V13-F15 HydrophobicContact CG1-CZ 3.66Å; F15-F27 HydrophobicContact CB-CB 4.4Å; F15-F27 HydrophobicContact CB-CG 4.48Å; F15-F27 HydrophobicContact CD1-CB 4.09Å; F15-F27 AromaticContact CD1-CD1 3.62Å; F15-F27 HydrophobicContact CD1-CD1 3.62Å; F15-F27 HydrophobicContact CD1-CD2 4.1Å; F15-F27 HydrophobicContact CD1-CE1 4.01Å; F15-F27 HydrophobicContact CD1-CE2 4.42Å; F15-F27 AromaticContact CD1-CG 3.66Å; F15-F27 HydrophobicContact CD1-CG 3.66Å; F15-F27 HydrophobicContact CD1-CZ 4.38Å; F15-F27 AromaticContact CE1-CD1 3.81Å; F15-F27 HydrophobicContact CE1-CD1 3.81Å; F15-F27 AromaticContact CE1-CE1 3.78Å; F15-F27 HydrophobicContact CE1-CE1 3.78Å; F15-F27 HydrophobicContact CE1-CG 4.29Å; F15-F27 HydrophobicContact CE1-CZ 4.22Å; F15-F27 HydrophobicContact CG-CD2 4.49Å; F15-F27 HydrophobicContact CG-CG 4.4Å; F15-F63 HydrophobicContact CE1-CB 3.63Å; F15-F63 AromaticContact CE1-CD1 3.9Å; F15-F63 HydrophobicContact CE1-CD1 3.9Å; F15-F63 HydrophobicContact CE1-CD2 4.33Å; F15-F63 AromaticContact CE1-CG 3.66Å; F15-F63 HydrophobicContact CE1-CG 3.66Å; F15-F63 HydrophobicContact CE2-CD1 4.36Å; F15-F63 HydrophobicContact CZ-CB 4.04Å; F15-F63 AromaticContact CZ-CD1 3.37Å; F15-F63 HydrophobicContact CZ-CD1 3.37Å; F15-F63 HydrophobicContact CZ-CD2 4.21Å; F15-F63 AromaticContact CZ-CE1 3.84Å; F15-F63 HydrophobicContact CZ-CE1 3.84Å; F15-F63 AromaticContact CZ-CG 3.57Å; F15-F63 HydrophobicContact CZ-CG 3.57Å; F15-F63 HydrophobicContact CZ-CZ 4.48Å; F15-V65 HydrophobicContact CD1-CG2 3.7Å; F15-V65 HydrophobicContact CE1-CG2 4.08Å; F15-I124 HydrophobicContact CB-CG2 3.96Å; F15-I124 HydrophobicContact CD1-CB 4.39Å; F15-I124 HydrophobicContact CD1-CG2 4.03Å; F15-I124 HydrophobicContact CD2-CB 4.49Å; F15-I124 HydrophobicContact CD2-CG2 3.53Å; F15-I124 HydrophobicContact CE1-CG1 4.42Å; F15-I124 HydrophobicContact CE1-CG2 4.45Å; F15-I124 HydrophobicContact CE2-CG1 4.27Å; F15-I124 HydrophobicContact CE2-CG2 4Å; F15-I124 HydrophobicContact CG-CB 4.37Å; F15-I124 HydrophobicContact CG-CG2 3.54Å; F15-I124 HydrophobicContact CZ-CG1 4.17Å; F15-I124 HydrophobicContact CZ-CG2 4.44Å; F15-G127 WeakPolarHBondContact O-CA 3.17Å; F15-G127 PolarHBondContact O-N 3.32Å; F15-A128 PolarHBondContact N-O 3.29Å; F15-A128 VanDerWaalsContact N-O 3.16Å; F15-L130 HydrophobicContact CD2-CB 4.42Å; F15-L130 HydrophobicContact CE2-CB 3.78Å; F15-L130 HydrophobicContact CE2-CD2 4.34Å
16R87.3Confident87.1Confident76 Ų7698.5 Ų98.529%0.28749%0.485SS..  trans-139.5150.3-179.160.3-175.1178.2-168.10.7110.7V14 Y18 S19 P20 F27V14-R16 HydrophobicContact CG1-CG 4.32Å; V14-R16 PolarHBondContact O-N 3.4Å; R16-Y18 VanDerWaalsContact C-N 3.32Å; R16-Y18 WeakPolarHBondContact CD-O 3.35Å; R16-Y18 VanDerWaalsContact CG-O 3.31Å; R16-Y18 WeakPolarHBondContact CG-O 3.16Å; R16-Y18 PolarHBondContact NE-O 2.83Å; R16-Y18 PolarHBondContact O-N 2.72Å; R16-S19 PolarHBondContact NH2-OG 3.43Å; R16-P20 VanDerWaalsContact CZ-CG 3.48Å; R16-P20 VanDerWaalsContact NH1-CG 3.27Å; R16-P20 VanDerWaalsContact NH2-CD 3.26Å; R16-P20 VanDerWaalsContact NH2-CG 3.32Å; R16-F27 CarbonylContact C-O 3.49Å; R16-F27 PolarHBondContact O-N 2.82Å
17R86.6Confident87.1Confident111 Ų11188.2 Ų88.242%0.41945%0.446SS..SBendtrans-68-31.2-179.5-65.4-175.3-176.6-170.3-0.2113F27 P29 D67R17-F27 WeakPolarHBondContact CA-O 3.29Å; R17-P29 VanDerWaalsContact NH2-CG 3.29Å; R17-D67 IonicContact CZ-OD1 3.8Å; R17-D67 IonicContact NH2-OD1 2.71Å; R17-D67 PolarHBondContact NH2-OD1 2.91Å; R17-D67 IonicContact NH2-OD2 3.65Å; R17-D67 PolarHBondContact NH2-OD2 2.82Å
18Y87.9Confident87.1Confident174 Ų17484.4 Ų84.468%0.68243%0.43SS*.SBendtrans-128.7132.9-177.8-56.5-64.8000111R16R16-Y18 VanDerWaalsContact C-N 3.32Å; R16-Y18 WeakPolarHBondContact CD-O 3.35Å; R16-Y18 VanDerWaalsContact CG-O 3.31Å; R16-Y18 WeakPolarHBondContact CG-O 3.16Å; R16-Y18 PolarHBondContact NE-O 2.83Å; R16-Y18 PolarHBondContact O-N 2.72Å
19S88.6Confident87.1Confident22 Ų2277.4 Ų77.415%0.15440%0.402CS..  trans-98.4122176.4179.30000111.8R16 I21 G24 E26R16-S19 PolarHBondContact NH2-OG 3.43Å; S19-I21 PolarHBondContact O-N 3.46Å; S19-I21 VanDerWaalsContact O-N 3.17Å; S19-I21 PolarHBondContact OG-N 2.73Å; S19-I21 VanDerWaalsContact OG-N 3.07Å; S19-I21 PolarHBondContact OG-O 2.91Å; S19-G24 WeakPolarHBondContact OG-CA 3.24Å; S19-E26 PolarHBondContact N-OE1 3.39Å
20P88.1Confident87Confident104 Ų10475.7 Ų75.768%0.67540%0.404SS*.SBendtrans-60.2-12.7163.920.6-38.3000114.9R16R16-P20 VanDerWaalsContact CZ-CG 3.48Å; R16-P20 VanDerWaalsContact NH1-CG 3.27Å; R16-P20 VanDerWaalsContact NH2-CD 3.26Å; R16-P20 VanDerWaalsContact NH2-CG 3.32Å
21I87.6Confident86.9Confident108 Ų10875 Ų7555%0.55440%0.398SS*.SBendtrans-92124174.3-56.6173.8000107.3S19 D23 G24S19-I21 PolarHBondContact O-N 3.46Å; S19-I21 VanDerWaalsContact O-N 3.17Å; S19-I21 PolarHBondContact OG-N 2.73Å; S19-I21 VanDerWaalsContact OG-N 3.07Å; S19-I21 PolarHBondContact OG-O 2.91Å; I21-D23 PolarHBondContact O-N 3.4Å; I21-G24 WeakPolarHBondContact O-CA 3.46Å; I21-G24 PolarHBondContact O-N 3.44Å
22P88.3Confident87Confident115 Ų11573.7 Ų73.775%0.74739%0.387SS*.THydrogen-bonded Turntrans-53.4133169.4-23.133.1000110.2G24P22-G24 PolarHBondContact O-N 3.28Å; P22-G24 VanDerWaalsContact O-N 3.08Å
23D84.5Confident87.2Confident175 Ų17572.4 Ų72.494%0.93637%0.374SS*.THydrogen-bonded Turntrans5717.6-172.6-54.3-36.4000114.9I21I21-D23 PolarHBondContact O-N 3.4Å
24G85.8Confident87.3Confident22 Ų2274.4 Ų74.423%0.22738%0.38CS..  trans-71.5162.1174.100000112.1S19 I21 P22 E26S19-G24 WeakPolarHBondContact OG-CA 3.24Å; I21-G24 WeakPolarHBondContact O-CA 3.46Å; I21-G24 PolarHBondContact O-N 3.44Å; P22-G24 PolarHBondContact O-N 3.28Å; P22-G24 VanDerWaalsContact O-N 3.08Å; G24-E26 PolarHBondContact O-N 2.91Å
25L88.3Confident87.5Confident119 Ų11975.1 Ų75.162%0.62338%0.382SS*.  trans-68.4130.9-177.8-61.4174.4000111.6F27L25-F27 HydrophobicContact CB-CE2 3.66Å; L25-F27 HydrophobicContact CB-CZ 3.93Å; L25-F27 HydrophobicContact CD1-CZ 4.16Å
26E90.2Very high87.6Confident85 Ų8578.3 Ų78.340%0.39740%0.399SS..  trans-119.2127.7177.1-63.6-169154.200110.8S19 G24 Y33S19-E26 PolarHBondContact N-OE1 3.39Å; G24-E26 PolarHBondContact O-N 2.91Å; E26-Y33 PolarHBondContact O-OH 3.36Å
27F88.9Confident87.7Confident12 Ų1276 Ų765%0.05339%0.394CS..  trans-116.5112.6-174.7-61.6-84.6000110.2V13 V14 F15 R16 R17 L25 Y33 V65V13-F27 HydrophobicContact CG1-CE1 4.48Å; V13-F27 HydrophobicContact CG1-CE2 3.86Å; V13-F27 HydrophobicContact CG1-CZ 3.57Å; V14-F27 VanDerWaalsContact O-CD2 3.3Å; V14-F27 WeakPolarHBondContact O-CD2 3.29Å; V14-F27 WeakPolarHBondContact O-CE2 3.37Å; F15-F27 HydrophobicContact CB-CB 4.4Å; F15-F27 HydrophobicContact CB-CG 4.48Å; F15-F27 HydrophobicContact CD1-CB 4.09Å; F15-F27 AromaticContact CD1-CD1 3.62Å; F15-F27 HydrophobicContact CD1-CD1 3.62Å; F15-F27 HydrophobicContact CD1-CD2 4.1Å; F15-F27 HydrophobicContact CD1-CE1 4.01Å; F15-F27 HydrophobicContact CD1-CE2 4.42Å; F15-F27 AromaticContact CD1-CG 3.66Å; F15-F27 HydrophobicContact CD1-CG 3.66Å; F15-F27 HydrophobicContact CD1-CZ 4.38Å; F15-F27 AromaticContact CE1-CD1 3.81Å; F15-F27 HydrophobicContact CE1-CD1 3.81Å; F15-F27 AromaticContact CE1-CE1 3.78Å; F15-F27 HydrophobicContact CE1-CE1 3.78Å; F15-F27 HydrophobicContact CE1-CG 4.29Å; F15-F27 HydrophobicContact CE1-CZ 4.22Å; F15-F27 HydrophobicContact CG-CD2 4.49Å; F15-F27 HydrophobicContact CG-CG 4.4Å; R16-F27 CarbonylContact C-O 3.49Å; R16-F27 PolarHBondContact O-N 2.82Å; R17-F27 WeakPolarHBondContact CA-O 3.29Å; L25-F27 HydrophobicContact CB-CE2 3.66Å; L25-F27 HydrophobicContact CB-CZ 3.93Å; L25-F27 HydrophobicContact CD1-CZ 4.16Å; F27-Y33 HydrophobicContact CB-CE2 4.27Å; F27-Y33 AromaticContact CD1-CD1 3.84Å; F27-Y33 HydrophobicContact CD1-CD1 3.84Å; F27-Y33 AromaticContact CD1-CD2 3.67Å; F27-Y33 HydrophobicContact CD1-CD2 3.67Å; F27-Y33 HydrophobicContact CD1-CE1 4.04Å; F27-Y33 AromaticContact CD1-CE2 3.86Å; F27-Y33 HydrophobicContact CD1-CE2 3.86Å; F27-Y33 AromaticContact CD1-CG 3.65Å; F27-Y33 HydrophobicContact CD1-CG 3.65Å; F27-Y33 HydrophobicContact CE1-CD1 4Å; F27-Y33 HydrophobicContact CE1-CD2 4.33Å; F27-Y33 AromaticContact CE1-CG 3.88Å; F27-Y33 HydrophobicContact CE1-CG 3.88Å; F27-V65 HydrophobicContact CB-CG1 4.4Å; F27-V65 HydrophobicContact CB-CG2 4.3Å; F27-V65 HydrophobicContact CD1-CG2 4.28Å
28H88.2Confident87.9Confident72 Ų7271.9 Ų71.933%0.33338%0.381SS..  trans-97.3135.7179.9-68.478.2000109.5H31 Y33H28-H31 PolarHBondContact O-N 3.4Å; H28-Y33 PolarHBondContact N-OH 2.85Å
29P86.4Confident88.2Confident22 Ų2264.7 Ų64.714%0.14336%0.356CS..THydrogen-bonded Turntrans-61.6151.2173.77.4-3.2000111.5R17 H31 V65 D67 T126R17-P29 VanDerWaalsContact NH2-CG 3.29Å; P29-H31 PolarHBondContact O-N 3.36Å; P29-H31 PolarHBondContact O-ND1 2.8Å; P29-V65 CarbonylContact C-O 3.57Å; P29-V65 WeakPolarHBondContact CA-O 3.43Å; P29-D67 HydrophobicContact CB-CB 4.16Å; P29-D67 WeakPolarHBondContact CB-OD1 3.15Å; P29-D67 WeakPolarHBondContact CB-OD2 3.35Å; P29-D67 WeakPolarHBondContact CG-OD1 3.31Å; P29-D67 VanDerWaalsContact CG-OD2 3.27Å; P29-D67 WeakPolarHBondContact CG-OD2 3.3Å; P29-T126 HydrophobicContact CB-CG2 3.92Å; P29-T126 HydrophobicContact CG-CG2 3.63Å
30G84.1Confident88.3Confident37 Ų3768 Ų6838%0.38137%0.369SS..THydrogen-bonded Turntrans77.65.4-176.600000114.4V65G30-V65 PolarHBondContact N-O 3.16Å
31H85Confident88.3Confident79 Ų7964.4 Ų64.437%0.36635%0.351SS..EExtended strand (participates in β ladder)trans-115.9142.5179-63.471.3000110.9H28 P29 Y33 V65H28-H31 PolarHBondContact O-N 3.4Å; P29-H31 PolarHBondContact O-N 3.36Å; P29-H31 PolarHBondContact O-ND1 2.8Å; H31-Y33 HydrophobicContact CB-CD2 4.43Å; H31-Y33 HydrophobicContact CB-CE2 3.64Å; H31-V65 PolarHBondContact O-N 3.45Å; H31-V65 VanDerWaalsContact O-N 3.15Å
32R86.4Confident88.4Confident65 Ų6567.1 Ų67.125%0.24535%0.354CS..EExtended strand (participates in β ladder)trans-92136.3168.5-65.8175.8-179.2152.36.6112Y34 E62 F63 D64 D108R32-Y34 HydrophobicContact CB-CE2 3.83Å; R32-E62 HydrophobicContact CB-CG 4.46Å; R32-E62 WeakPolarHBondContact CD-OE1 3.31Å; R32-E62 IonicContact CZ-OE1 3.98Å; R32-E62 IonicContact NE-OE1 2.72Å; R32-E62 PolarHBondContact NE-OE1 2.74Å; R32-F63 CarbonylContact C-O 3.52Å; R32-F63 WeakPolarHBondContact CA-O 3.42Å; R32-D64 HydrophobicContact CG-CB 4.43Å; R32-D108 HydrophobicContact CB-CB 4.34Å; R32-D108 WeakPolarHBondContact CB-OD1 2.97Å; R32-D108 VanDerWaalsContact CD-CG 3.45Å; R32-D108 WeakPolarHBondContact CD-OD2 3.31Å; R32-D108 HydrophobicContact CG-CB 4.49Å; R32-D108 WeakPolarHBondContact CG-OD1 2.86Å; R32-D108 IonicContact CZ-OD2 3.94Å; R32-D108 PolarHBondContact N-OD1 3.17Å; R32-D108 IonicContact NE-OD2 3.1Å; R32-D108 PolarHBondContact NE-OD2 2.79Å; R32-D108 IonicContact NH1-OD2 3.2Å; R32-D108 PolarHBondContact NH1-OD2 2.75Å; R32-D108 VanDerWaalsContact NH1-OD2 3.12Å; R32-D108 IonicContact NH2-OD2 3.36Å
33Y88.9Confident88.4Confident54 Ų5467.9 Ų67.921%0.21235%0.35CS..EExtended strand (participates in β ladder)trans-120.5150.5177.2-62.1-94000110.3E26 F27 H28 H31 E62 F63 V65E26-Y33 PolarHBondContact O-OH 3.36Å; F27-Y33 HydrophobicContact CB-CE2 4.27Å; F27-Y33 AromaticContact CD1-CD1 3.84Å; F27-Y33 HydrophobicContact CD1-CD1 3.84Å; F27-Y33 AromaticContact CD1-CD2 3.67Å; F27-Y33 HydrophobicContact CD1-CD2 3.67Å; F27-Y33 HydrophobicContact CD1-CE1 4.04Å; F27-Y33 AromaticContact CD1-CE2 3.86Å; F27-Y33 HydrophobicContact CD1-CE2 3.86Å; F27-Y33 AromaticContact CD1-CG 3.65Å; F27-Y33 HydrophobicContact CD1-CG 3.65Å; F27-Y33 HydrophobicContact CE1-CD1 4Å; F27-Y33 HydrophobicContact CE1-CD2 4.33Å; F27-Y33 AromaticContact CE1-CG 3.88Å; F27-Y33 HydrophobicContact CE1-CG 3.88Å; H28-Y33 PolarHBondContact N-OH 2.85Å; H31-Y33 HydrophobicContact CB-CD2 4.43Å; H31-Y33 HydrophobicContact CB-CE2 3.64Å; Y33-E62 CarbonylContact O-C 3.33Å; Y33-E62 WeakPolarHBondContact O-CA 3.41Å; Y33-F63 PolarHBondContact N-O 3.44Å; Y33-F63 PolarHBondContact O-N 3.03Å; Y33-V65 HydrophobicContact CD2-CB 4.35Å; Y33-V65 HydrophobicContact CD2-CG2 3.58Å; Y33-V65 HydrophobicContact CE2-CB 4.21Å; Y33-V65 HydrophobicContact CE2-CG2 3.82Å
34Y88.8Confident88.6Confident52 Ų5265.9 Ų65.920%0.20434%0.339CS..EExtended strand (participates in β ladder)trans-130.4123.3-171.4-58.6-95.2000110R32 V61 E62 P109 P111 M119R32-Y34 HydrophobicContact CB-CE2 3.83Å; Y34-V61 WeakPolarHBondContact CA-O 3.36Å; Y34-E62 HydrophobicContact CD1-CB 4.46Å; Y34-E62 HydrophobicContact CD1-CG 4.24Å; Y34-E62 HydrophobicContact CE1-CB 4.25Å; Y34-E62 HydrophobicContact CE1-CG 3.67Å; Y34-P109 HydrophobicContact CE2-CG 4.18Å; Y34-P109 WeakPolarHBondContact CE2-O 3.33Å; Y34-P109 PolarHBondContact OH-O 3.15Å; Y34-P111 HydrophobicContact CD1-CB 3.81Å; Y34-P111 HydrophobicContact CD1-CG 3.82Å; Y34-P111 HydrophobicContact CE1-CB 4.31Å; Y34-P111 HydrophobicContact CE1-CG 3.86Å; Y34-P111 HydrophobicContact CG-CB 4.07Å; Y34-M119 HydrophobicContact CD1-CE 3.41Å; Y34-M119 VanDerWaalsContact CD1-CE 3.41Å; Y34-M119 HydrophobicContact CD1-SD 3.93Å; Y34-M119 HydrophobicContact CE1-CE 4.01Å; Y34-M119 HydrophobicContact CE1-SD 3.97Å; Y34-M119 HydrophobicContact CG-CE 4.43Å
35L89.4Confident88.8Confident73 Ų7364.9 Ų64.938%0.38233%0.328SS..EExtended strand (participates in β ladder)trans-97.9125.9161.4-71.8177.5000107.9V13 R60 V61 F63 L132V13-L35 HydrophobicContact CG2-CD1 4.39Å; L35-R60 CarbonylContact O-C 3.53Å; L35-R60 WeakPolarHBondContact O-CA 3.36Å; L35-V61 PolarHBondContact N-O 2.83Å; L35-V61 PolarHBondContact O-N 3.14Å; L35-F63 HydrophobicContact CB-CE2 4.13Å; L35-F63 HydrophobicContact CD1-CE2 3.54Å; L35-F63 HydrophobicContact CD1-CZ 3.86Å; L35-F63 HydrophobicContact CG-CE2 3.64Å; L35-F63 HydrophobicContact CG-CZ 4.43Å; L35-L132 HydrophobicContact CD1-CD1 3.79Å
36I89.7Confident88.9Confident68 Ų6861.4 Ų61.435%0.34931%0.312SS..EExtended strand (participates in β ladder)trans-132.5156.6-177.366.9173.9000110.5T38 R60I36-T38 HydrophobicContact CD1-CG2 4.12Å; I36-R60 HydrophobicContact CB-CB 4.39Å; I36-R60 HydrophobicContact CG2-CB 3.73Å
37S89.9Confident88.9Confident26 Ų2664.5 Ų64.518%0.18233%0.326CS..  trans-122.1109.7169.3-177.40000111S39 L53 C54 M59S37-S39 VanDerWaalsContact C-N 3.31Å; S37-S39 PolarHBondContact OG-OG 3.38Å; S37-L53 CarbonylContact O-C 3.58Å; S37-C54 WeakPolarHBondContact O-CA 3.5Å; S37-C54 VanDerWaalsContact O-CB 3.26Å; S37-C54 WeakPolarHBondContact O-CB 3.27Å; S37-C54 PolarHBondContact O-N 2.79Å; S37-M59 PolarHBondContact N-O 3.28Å; S37-M59 VanDerWaalsContact N-O 3.12Å
38T91.7Very high88.9Confident26 Ų2666.5 Ų66.516%0.1634%0.338CS..  trans-90.35.2174.751.10000113.2I36 N48 G51 C54I36-T38 HydrophobicContact CD1-CG2 4.12Å; T38-N48 WeakPolarHBondContact CB-O 3.02Å; T38-N48 WeakPolarHBondContact O-CB 3.24Å; T38-N48 PolarHBondContact OG1-O 3.4Å; T38-G51 WeakPolarHBondContact CA-O 3.22Å; T38-C54 HydrophobicContact CG2-CB 4.41Å
39S92.5Very high88.9Confident23 Ų2374 Ų7416%0.16136%0.363CS..SBendtrans-68.9170.9173.667.20000111.4S37 G45 G52 L53S37-S39 VanDerWaalsContact C-N 3.31Å; S37-S39 PolarHBondContact OG-OG 3.38Å; S39-G45 VanDerWaalsContact CA-O 3.26Å; S39-G45 WeakPolarHBondContact CA-O 3.4Å; S39-G52 CarbonylContact O-C 3.58Å; S39-G52 WeakPolarHBondContact O-CA 3.21Å; S39-L53 VanDerWaalsContact O-CG 3.27Å; S39-L53 WeakPolarHBondContact O-CG 3.36Å; S39-L53 PolarHBondContact O-N 2.78Å
40E90.9Very high89.1Confident92 Ų9278.3 Ų78.343%0.4339%0.385SS..  trans-101.84.4174.5-71.4176-167.400113.9R42 G45 N48E40-R42 PolarHBondContact O-N 3.19Å; E40-G45 PolarHBondContact N-O 2.88Å; E40-N48 WeakPolarHBondContact CG-ND2 3.38Å; E40-N48 PolarHBondContact OE1-ND2 3.03Å
41G89.1Confident89.2Confident28 Ų2877 Ų7729%0.28937%0.372SS..SBendtrans80.7-7.4-172.200000114.3
42R88.8Confident89.5Confident164 Ų16474.1 Ų74.162%0.61936%0.364SS*.SBendtrans-110.3157.5176.6-63.2-174.7177.7109.90.4112.2E40 N44 G45 V46E40-R42 PolarHBondContact O-N 3.19Å; R42-N44 VanDerWaalsContact C-N 3.3Å; R42-N44 WeakPolarHBondContact CB-OD1 3.39Å; R42-N44 PolarHBondContact O-N 2.73Å; R42-G45 PolarHBondContact O-N 2.84Å; R42-G45 VanDerWaalsContact O-N 3.14Å; R42-V46 PolarHBondContact O-N 3.49Å
43M88.2Confident89.7Confident132 Ų13271.8 Ų71.865%0.6536%0.356SS*.G310 helixtrans-59.9-37.7-178.7-168.964.472.700112.8G45 V46M43-G45 VanDerWaalsContact C-N 3.31Å; M43-G45 PolarHBondContact O-N 2.76Å; M43-V46 VanDerWaalsContact O-CG1 3.29Å; M43-V46 WeakPolarHBondContact O-CG1 3.17Å; M43-V46 PolarHBondContact O-N 3.17Å
44N89.9Confident89.8Confident132 Ų13269.3 Ų69.371%0.70635%0.346SS*.G310 helixtrans-68.3-27.4178.762.3-23.5000113.4R42R42-N44 VanDerWaalsContact C-N 3.3Å; R42-N44 WeakPolarHBondContact CB-OD1 3.39Å; R42-N44 PolarHBondContact O-N 2.73Å
45G89.9Confident89.8Confident1 Ų171 Ų711%0.0136%0.358CS..G310 helixtrans-100.310179.600000114.2S39 E40 R42 M43 Q47 N48S39-G45 VanDerWaalsContact CA-O 3.26Å; S39-G45 WeakPolarHBondContact CA-O 3.4Å; E40-G45 PolarHBondContact N-O 2.88Å; R42-G45 PolarHBondContact O-N 2.84Å; R42-G45 VanDerWaalsContact O-N 3.14Å; M43-G45 VanDerWaalsContact C-N 3.31Å; M43-G45 PolarHBondContact O-N 2.76Å; G45-Q47 VanDerWaalsContact C-N 3.28Å; G45-Q47 PolarHBondContact O-N 3.36Å; G45-N48 WeakPolarHBondContact O-CB 3.25Å; G45-N48 PolarHBondContact O-N 2.86Å
46V89.4Confident89.8Confident46 Ų4671.3 Ų71.328%0.27937%0.367SS..THydrogen-bonded Turntrans-67.1-28.5-173.775.20000113.1R42 M43R42-V46 PolarHBondContact O-N 3.49Å; M43-V46 VanDerWaalsContact O-CG1 3.29Å; M43-V46 WeakPolarHBondContact O-CG1 3.17Å; M43-V46 PolarHBondContact O-N 3.17Å
47Q90.4Very high89.8Confident150 Ų15074.8 Ų74.870%0.70138%0.379SS*.THydrogen-bonded Turntrans-93.65.2-178.6-62-60.8-24.600113.4G45 R49G45-Q47 VanDerWaalsContact C-N 3.28Å; G45-Q47 PolarHBondContact O-N 3.36Å; Q47-R49 PolarHBondContact O-N 2.82Å
48N89.2Confident89.6Confident54 Ų5476.3 Ų76.329%0.28939%0.385SS..  trans-62129.2178.9-74.5-1000110.6T38 E40 G45T38-N48 WeakPolarHBondContact CB-O 3.02Å; T38-N48 WeakPolarHBondContact O-CB 3.24Å; T38-N48 PolarHBondContact OG1-O 3.4Å; E40-N48 WeakPolarHBondContact CG-ND2 3.38Å; E40-N48 PolarHBondContact OE1-ND2 3.03Å; G45-N48 WeakPolarHBondContact O-CB 3.25Å; G45-N48 PolarHBondContact O-N 2.86Å
49R89.2Confident89.5Confident229 Ų22976.2 Ų76.286%0.86438%0.383SS*.  trans-99.6-5.9-177.6-63.8-173.4177.9-174.3-1.4114Q47Q47-R49 PolarHBondContact O-N 2.82Å
50N89.6Confident89.2Confident113 Ų11375.8 Ų75.860%0.60438%0.378SS*.SBendtrans-142.9149.3179.9-167.413.5000110.2
51G87.2Confident89.1Confident10 Ų1072.2 Ų72.210%0.10336%0.363CS..SBendtrans72-124.8177.300000114.5T38 C54T38-G51 WeakPolarHBondContact CA-O 3.22Å; G51-C54 VanDerWaalsContact O-CB 3.31Å; G51-C54 WeakPolarHBondContact O-CB 3.32Å
52G90.5Very high89Confident19 Ų1971.4 Ų71.420%0.19635%0.351CS..THydrogen-bonded Turntrans65.7-146176.500000114.7S39 C54 L55 S56S39-G52 CarbonylContact O-C 3.58Å; S39-G52 WeakPolarHBondContact O-CA 3.21Å; G52-C54 PolarHBondContact O-N 3.25Å; G52-L55 PolarHBondContact O-N 3.33Å; G52-S56 WeakPolarHBondContact O-CB 3.46Å; G52-S56 PolarHBondContact O-N 3.07Å; G52-S56 PolarHBondContact O-OG 3.17Å
53L90.9Very high89.1Confident15 Ų1563.8 Ų63.88%0.07932%0.323CS..Hα-helixtrans-61.9-27-179.5-59.8171.7000111.9S37 S39 L55 S56 K57 N58 M59 W138S37-L53 CarbonylContact O-C 3.58Å; S39-L53 VanDerWaalsContact O-CG 3.27Å; S39-L53 WeakPolarHBondContact O-CG 3.36Å; S39-L53 PolarHBondContact O-N 2.78Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-L55 PolarHBondContact O-N 2.92Å; L53-S56 WeakPolarHBondContact CA-OG 3.2Å; L53-K57 HydrophobicContact CD2-CG 4.31Å; L53-K57 CarbonylContact O-C 3.4Å; L53-K57 WeakPolarHBondContact O-CA 3.16Å; L53-K57 PolarHBondContact O-N 3.35Å; L53-N58 PolarHBondContact O-N 3.36Å; L53-N58 VanDerWaalsContact O-N 3.15Å; L53-M59 HydrophobicContact CB-CB 3.83Å; L53-M59 HydrophobicContact CB-CG 4.36Å; L53-M59 HydrophobicContact CB-SD 3.75Å; L53-M59 HydrophobicContact CD1-CE 4.3Å; L53-M59 HydrophobicContact CD1-SD 3.59Å; L53-M59 VanDerWaalsContact CD1-SD 3.59Å; L53-M59 HydrophobicContact CG-SD 4.23Å; L53-M59 PolarHBondContact O-N 2.85Å; L53-M59 VanDerWaalsContact O-N 3.1Å; L53-W138 HydrophobicContact CB-CE3 4.49Å; L53-W138 HydrophobicContact CB-CZ3 3.81Å; L53-W138 HydrophobicContact CD1-CE3 3.56Å; L53-W138 HydrophobicContact CD1-CZ3 3.76Å; L53-W138 HydrophobicContact CD2-CE3 3.69Å; L53-W138 HydrophobicContact CD2-CZ3 3.36Å; L53-W138 HydrophobicContact CG-CE3 4.04Å; L53-W138 HydrophobicContact CG-CZ3 3.75Å
54C90.6Very high89.1Confident3 Ų357.9 Ų57.92%0.0229%0.294CS..Hα-helixtrans-57.8-46.4175-162.90000111.7S37 T38 G51 G52 N58 C113S37-C54 WeakPolarHBondContact O-CA 3.5Å; S37-C54 VanDerWaalsContact O-CB 3.26Å; S37-C54 WeakPolarHBondContact O-CB 3.27Å; S37-C54 PolarHBondContact O-N 2.79Å; T38-C54 HydrophobicContact CG2-CB 4.41Å; G51-C54 VanDerWaalsContact O-CB 3.31Å; G51-C54 WeakPolarHBondContact O-CB 3.32Å; G52-C54 PolarHBondContact O-N 3.25Å; C54-N58 WeakPolarHBondContact O-CA 3.29Å; C54-N58 PolarHBondContact O-N 3.47Å; C54-C113 HydrophobicContact CB-CB 3.92Å; C54-C113 WeakPolarHBondContact CB-SG 3.41Å; C54-C113 WeakPolarHBondContact SG-CB 3.34Å; C54-C113 CovalentContact SG-SG 2.02Å; C54-C113 PolarHBondContact SG-SG 2.76Å
55L88.5Confident89.1Confident86 Ų8651.6 Ų51.645%0.4526%0.26SS..Hα-helixtrans-84.6-48.1177.8-70-179.1000112.3G52 L53 K57 C113G52-L55 PolarHBondContact O-N 3.33Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-L55 PolarHBondContact O-N 2.92Å; L55-K57 PolarHBondContact O-N 3.27Å; L55-C113 HydrophobicContact CD2-CB 3.79Å; L55-C113 HydrophobicContact CG-CB 4.36Å
56S89.3Confident88.9Confident80 Ų8056.1 Ų56.156%0.55928%0.277SS*.Hα-helixtrans-73.8-26.6-170.857.50000113.8G52 L53G52-S56 WeakPolarHBondContact O-CB 3.46Å; G52-S56 PolarHBondContact O-N 3.07Å; G52-S56 PolarHBondContact O-OG 3.17Å; L53-S56 WeakPolarHBondContact CA-OG 3.2Å
57K89.3Confident88.6Confident142 Ų14256.7 Ų56.762%0.61728%0.278SS*.SBendtrans-138.814.8-172.7-59.3-72.8-173.2177.40113.2L53 L55 M59 W138L53-K57 HydrophobicContact CD2-CG 4.31Å; L53-K57 CarbonylContact O-C 3.4Å; L53-K57 WeakPolarHBondContact O-CA 3.16Å; L53-K57 PolarHBondContact O-N 3.35Å; L55-K57 PolarHBondContact O-N 3.27Å; K57-M59 PolarHBondContact O-N 3.23Å; K57-W138 HydrophobicContact CB-CH2 3.21Å; K57-W138 HydrophobicContact CB-CZ2 4.36Å; K57-W138 HydrophobicContact CB-CZ3 3.57Å; K57-W138 HydrophobicContact CG-CH2 3.81Å; K57-W138 HydrophobicContact CG-CZ3 3.71Å
58N87.1Confident87.8Confident57 Ų5755.8 Ų55.831%0.30527%0.272SS..  trans53.437.7177-174.946.7000112.8L53 C54 R60 G118L53-N58 PolarHBondContact O-N 3.36Å; L53-N58 VanDerWaalsContact O-N 3.15Å; C54-N58 WeakPolarHBondContact O-CA 3.29Å; C54-N58 PolarHBondContact O-N 3.47Å; N58-R60 VanDerWaalsContact C-N 3.32Å; N58-R60 PolarHBondContact O-N 3.28Å; N58-R60 PolarHBondContact OD1-NE 3.35Å; N58-R60 PolarHBondContact OD1-NH2 2.71Å; N58-G118 PolarHBondContact ND2-O 2.87Å
59M88.1Confident86.9Confident24 Ų2459.8 Ų59.812%0.11829%0.294CS..  trans-78.881.8-176.7-121.4-17285.700111.5S37 L53 K57 F136 W138S37-M59 PolarHBondContact N-O 3.28Å; S37-M59 VanDerWaalsContact N-O 3.12Å; L53-M59 HydrophobicContact CB-CB 3.83Å; L53-M59 HydrophobicContact CB-CG 4.36Å; L53-M59 HydrophobicContact CB-SD 3.75Å; L53-M59 HydrophobicContact CD1-CE 4.3Å; L53-M59 HydrophobicContact CD1-SD 3.59Å; L53-M59 VanDerWaalsContact CD1-SD 3.59Å; L53-M59 HydrophobicContact CG-SD 4.23Å; L53-M59 PolarHBondContact O-N 2.85Å; L53-M59 VanDerWaalsContact O-N 3.1Å; K57-M59 PolarHBondContact O-N 3.23Å; M59-F136 HydrophobicContact CE-CD1 4.26Å; M59-F136 HydrophobicContact CE-CE1 3.71Å; M59-F136 HydrophobicContact CE-CE2 4.31Å; M59-F136 HydrophobicContact CE-CZ 3.75Å; M59-F136 HydrophobicContact CG-CE1 4.41Å; M59-F136 HydrophobicContact SD-CE1 4.28Å; M59-W138 HydrophobicContact CB-CH2 4.05Å; M59-W138 HydrophobicContact CG-CE3 4.49Å; M59-W138 HydrophobicContact CG-CH2 3.26Å; M59-W138 HydrophobicContact CG-CZ2 3.45Å; M59-W138 VanDerWaalsContact CG-CZ2 3.45Å; M59-W138 HydrophobicContact CG-CZ3 3.88Å; M59-W138 HydrophobicContact SD-CD2 3.49Å; M59-W138 VanDerWaalsContact SD-CE2 3.58Å; M59-W138 HydrophobicContact SD-CE3 3.36Å; M59-W138 HydrophobicContact SD-CG 4.32Å; M59-W138 HydrophobicContact SD-CH2 3.24Å; M59-W138 WeakPolarHBondContact SD-CH2 3.45Å; M59-W138 HydrophobicContact SD-CZ2 3.5Å; M59-W138 WeakPolarHBondContact SD-CZ2 3.07Å; M59-W138 HydrophobicContact SD-CZ3 3.23Å; M59-W138 WeakPolarHBondContact SD-CZ3 3.48Å
60R86.9Confident85.6Confident15 Ų1553.3 Ų53.36%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-156.5150.1-178.260.2179.7-176.8-175.8-1.1111.7L35 I36 N58 C113 H115 A117 M119L35-R60 CarbonylContact O-C 3.53Å; L35-R60 WeakPolarHBondContact O-CA 3.36Å; I36-R60 HydrophobicContact CB-CB 4.39Å; I36-R60 HydrophobicContact CG2-CB 3.73Å; N58-R60 VanDerWaalsContact C-N 3.32Å; N58-R60 PolarHBondContact O-N 3.28Å; N58-R60 PolarHBondContact OD1-NE 3.35Å; N58-R60 PolarHBondContact OD1-NH2 2.71Å; R60-C113 PolarHBondContact NH1-O 3.11Å; R60-C113 VanDerWaalsContact NH1-O 3.17Å; R60-H115 PolarHBondContact NH1-O 3.03Å; R60-H115 PolarHBondContact NH2-O 3.4Å; R60-A117 PolarHBondContact NH2-O 3.17Å; R60-A117 VanDerWaalsContact NH2-O 3.16Å; R60-M119 HydrophobicContact CB-CE 3.6Å; R60-M119 HydrophobicContact CB-SD 4.45Å; R60-M119 WeakPolarHBondContact CD-SD 3.4Å; R60-M119 HydrophobicContact CG-CE 3.59Å; R60-M119 HydrophobicContact CG-CG 3.94Å; R60-M119 HydrophobicContact CG-SD 3.81Å
61V88.6Confident84.2Confident17 Ų1752.2 Ų52.210%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-129.8129.5177-1770000109.3Y34 L35 F63 M119 L122Y34-V61 WeakPolarHBondContact CA-O 3.36Å; L35-V61 PolarHBondContact N-O 2.83Å; L35-V61 PolarHBondContact O-N 3.14Å; V61-F63 HydrophobicContact CB-CE2 4.23Å; V61-F63 HydrophobicContact CB-CZ 4.07Å; V61-F63 HydrophobicContact CG1-CE1 3.79Å; V61-F63 HydrophobicContact CG1-CE2 3.94Å; V61-F63 HydrophobicContact CG1-CZ 3.43Å; V61-F63 VanDerWaalsContact CG1-CZ 3.43Å; V61-M119 WeakPolarHBondContact O-CE 3.37Å; V61-L122 HydrophobicContact CG1-CD1 3.62Å; V61-L122 HydrophobicContact CG1-CG 4.25Å
62E88.7Confident82.9Confident11 Ų1154.8 Ų54.85%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-99.4124.5178.7-169-177.6131.100108.9R32 Y33 Y34 M119 E120 R121 L122R32-E62 HydrophobicContact CB-CG 4.46Å; R32-E62 WeakPolarHBondContact CD-OE1 3.31Å; R32-E62 IonicContact CZ-OE1 3.98Å; R32-E62 IonicContact NE-OE1 2.72Å; R32-E62 PolarHBondContact NE-OE1 2.74Å; Y33-E62 CarbonylContact O-C 3.33Å; Y33-E62 WeakPolarHBondContact O-CA 3.41Å; Y34-E62 HydrophobicContact CD1-CB 4.46Å; Y34-E62 HydrophobicContact CD1-CG 4.24Å; Y34-E62 HydrophobicContact CE1-CB 4.25Å; Y34-E62 HydrophobicContact CE1-CG 3.67Å; E62-M119 HydrophobicContact CB-CE 3.58Å; E62-M119 HydrophobicContact CB-CG 3.94Å; E62-M119 HydrophobicContact CB-SD 3.8Å; E62-E120 PolarHBondContact N-O 2.92Å; E62-R121 HydrophobicContact CB-CB 4.34Å; E62-R121 HydrophobicContact CB-CG 4.43Å; E62-R121 HydrophobicContact CG-CG 4.49Å; E62-R121 IonicContact OE1-CZ 3.35Å; E62-R121 VanDerWaalsContact OE1-CZ 3.29Å; E62-R121 IonicContact OE1-NE 3.15Å; E62-R121 PolarHBondContact OE1-NE 3.42Å; E62-R121 IonicContact OE1-NH2 3.29Å; E62-R121 PolarHBondContact OE1-NH2 2.97Å; E62-R121 VanDerWaalsContact OE1-NH2 3.1Å; E62-R121 IonicContact OE2-CZ 2.72Å; E62-R121 IonicContact OE2-NE 3.2Å; E62-R121 IonicContact OE2-NH2 3.99Å; E62-R121 PolarHBondContact OE2-NH2 3.46Å; E62-L122 PolarHBondContact O-N 3.45Å
63F89.8Confident81.6Confident3 Ų361.6 Ų61.61%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-103.6110.7169.5-54.6-75.8000108.7F15 R32 Y33 L35 V61 V65 L122 I124 L130 L132F15-F63 HydrophobicContact CE1-CB 3.63Å; F15-F63 AromaticContact CE1-CD1 3.9Å; F15-F63 HydrophobicContact CE1-CD1 3.9Å; F15-F63 HydrophobicContact CE1-CD2 4.33Å; F15-F63 AromaticContact CE1-CG 3.66Å; F15-F63 HydrophobicContact CE1-CG 3.66Å; F15-F63 HydrophobicContact CE2-CD1 4.36Å; F15-F63 HydrophobicContact CZ-CB 4.04Å; F15-F63 AromaticContact CZ-CD1 3.37Å; F15-F63 HydrophobicContact CZ-CD1 3.37Å; F15-F63 HydrophobicContact CZ-CD2 4.21Å; F15-F63 AromaticContact CZ-CE1 3.84Å; F15-F63 HydrophobicContact CZ-CE1 3.84Å; F15-F63 AromaticContact CZ-CG 3.57Å; F15-F63 HydrophobicContact CZ-CG 3.57Å; F15-F63 HydrophobicContact CZ-CZ 4.48Å; R32-F63 CarbonylContact C-O 3.52Å; R32-F63 WeakPolarHBondContact CA-O 3.42Å; Y33-F63 PolarHBondContact N-O 3.44Å; Y33-F63 PolarHBondContact O-N 3.03Å; L35-F63 HydrophobicContact CB-CE2 4.13Å; L35-F63 HydrophobicContact CD1-CE2 3.54Å; L35-F63 HydrophobicContact CD1-CZ 3.86Å; L35-F63 HydrophobicContact CG-CE2 3.64Å; L35-F63 HydrophobicContact CG-CZ 4.43Å; V61-F63 HydrophobicContact CB-CE2 4.23Å; V61-F63 HydrophobicContact CB-CZ 4.07Å; V61-F63 HydrophobicContact CG1-CE1 3.79Å; V61-F63 HydrophobicContact CG1-CE2 3.94Å; V61-F63 HydrophobicContact CG1-CZ 3.43Å; V61-F63 VanDerWaalsContact CG1-CZ 3.43Å; F63-V65 HydrophobicContact CB-CG2 4.43Å; F63-V65 PolarHBondContact O-N 2.94Å; F63-L122 WeakPolarHBondContact CA-O 3.5Å; F63-L122 HydrophobicContact CD1-CB 4.07Å; F63-L122 HydrophobicContact CD1-CD1 4.2Å; F63-L122 HydrophobicContact CE1-CB 4.34Å; F63-L122 HydrophobicContact CE1-CD1 3.61Å; F63-L122 HydrophobicContact CZ-CD1 4.43Å; F63-I124 HydrophobicContact CD1-CG1 3.98Å; F63-L130 HydrophobicContact CD1-CD2 4.28Å; F63-L130 HydrophobicContact CE1-CD2 3.6Å; F63-L132 HydrophobicContact CE1-CD1 4.2Å; F63-L132 HydrophobicContact CE1-CD2 4.23Å; F63-L132 HydrophobicContact CZ-CD1 3.59Å; F63-L132 HydrophobicContact CZ-CD2 4.24Å; F63-L132 HydrophobicContact CZ-CG 4.46Å
64D89.1Confident80.3Confident8 Ų864.5 Ų64.54%0.04334%0.342CS..EExtended strand (participates in β ladder)trans-90.699.8171.6-173.3-11.6000108.1R32 R66 R121 L122 V123 I124R32-D64 HydrophobicContact CG-CB 4.43Å; D64-R66 VanDerWaalsContact CG-NE 3.32Å; D64-R66 VanDerWaalsContact CG-NH2 3.34Å; D64-R66 IonicContact OD1-CZ 3.28Å; D64-R66 IonicContact OD1-NE 3.12Å; D64-R66 PolarHBondContact OD1-NE 2.99Å; D64-R66 IonicContact OD1-NH2 3.18Å; D64-R66 PolarHBondContact OD1-NH2 3.29Å; D64-R66 VanDerWaalsContact OD1-NH2 3.15Å; D64-R66 IonicContact OD2-CZ 3.43Å; D64-R66 IonicContact OD2-NE 3.45Å; D64-R66 PolarHBondContact OD2-NE 3.06Å; D64-R66 IonicContact OD2-NH2 2.72Å; D64-R66 PolarHBondContact OD2-NH2 3.02Å; D64-R121 HydrophobicContact CB-CG 4.39Å; D64-L122 PolarHBondContact N-O 3.45Å; D64-V123 HydrophobicContact CB-CG2 4.4Å; D64-V123 WeakPolarHBondContact O-CA 3.34Å; D64-I124 PolarHBondContact O-N 3.2Å
65V89Confident79.2Confident0 Ų068.5 Ų68.50%036%0.363CS..EExtended strand (participates in β ladder)trans-85.7118.8-173-177.10000109.5F15 F27 P29 G30 H31 Y33 F63 I124 T126F15-V65 HydrophobicContact CD1-CG2 3.7Å; F15-V65 HydrophobicContact CE1-CG2 4.08Å; F27-V65 HydrophobicContact CB-CG1 4.4Å; F27-V65 HydrophobicContact CB-CG2 4.3Å; F27-V65 HydrophobicContact CD1-CG2 4.28Å; P29-V65 CarbonylContact C-O 3.57Å; P29-V65 WeakPolarHBondContact CA-O 3.43Å; G30-V65 PolarHBondContact N-O 3.16Å; H31-V65 PolarHBondContact O-N 3.45Å; H31-V65 VanDerWaalsContact O-N 3.15Å; Y33-V65 HydrophobicContact CD2-CB 4.35Å; Y33-V65 HydrophobicContact CD2-CG2 3.58Å; Y33-V65 HydrophobicContact CE2-CB 4.21Å; Y33-V65 HydrophobicContact CE2-CG2 3.82Å; F63-V65 HydrophobicContact CB-CG2 4.43Å; F63-V65 PolarHBondContact O-N 2.94Å; V65-I124 CarbonylContact C-O 3.5Å; V65-I124 VanDerWaalsContact CA-O 3.29Å; V65-I124 WeakPolarHBondContact CA-O 3.29Å; V65-T126 HydrophobicContact CG1-CG2 3.66Å
66R86.4Confident78.2Confident96 Ų9668 Ų6836%0.36236%0.359SS..EExtended strand (participates in β ladder)trans-114156.6-178.5-59.8-62.7177.7162.7-3.8111.1D64 V123 I124 N125 T126D64-R66 VanDerWaalsContact CG-NE 3.32Å; D64-R66 VanDerWaalsContact CG-NH2 3.34Å; D64-R66 IonicContact OD1-CZ 3.28Å; D64-R66 IonicContact OD1-NE 3.12Å; D64-R66 PolarHBondContact OD1-NE 2.99Å; D64-R66 IonicContact OD1-NH2 3.18Å; D64-R66 PolarHBondContact OD1-NH2 3.29Å; D64-R66 VanDerWaalsContact OD1-NH2 3.15Å; D64-R66 IonicContact OD2-CZ 3.43Å; D64-R66 IonicContact OD2-NE 3.45Å; D64-R66 PolarHBondContact OD2-NE 3.06Å; D64-R66 IonicContact OD2-NH2 2.72Å; D64-R66 PolarHBondContact OD2-NH2 3.02Å; R66-V123 HydrophobicContact CG-CG1 3.84Å; R66-I124 PolarHBondContact N-O 2.75Å; R66-N125 CarbonylContact O-C 3.45Å; R66-N125 WeakPolarHBondContact O-CA 3.42Å; R66-T126 PolarHBondContact O-N 3.34Å; R66-T126 PolarHBondContact O-OG1 3.35Å
67D82.9Confident77.4Confident58 Ų5868 Ų6831%0.3136%0.356SS..  trans-74141.9168.3-88.9-47000110.1R17 P29 N69 P70 T126R17-D67 IonicContact CZ-OD1 3.8Å; R17-D67 IonicContact NH2-OD1 2.71Å; R17-D67 PolarHBondContact NH2-OD1 2.91Å; R17-D67 IonicContact NH2-OD2 3.65Å; R17-D67 PolarHBondContact NH2-OD2 2.82Å; P29-D67 HydrophobicContact CB-CB 4.16Å; P29-D67 WeakPolarHBondContact CB-OD1 3.15Å; P29-D67 WeakPolarHBondContact CB-OD2 3.35Å; P29-D67 WeakPolarHBondContact CG-OD1 3.31Å; P29-D67 VanDerWaalsContact CG-OD2 3.27Å; P29-D67 WeakPolarHBondContact CG-OD2 3.3Å; D67-N69 PolarHBondContact O-N 3.48Å; D67-P70 WeakPolarHBondContact O-CD 3.42Å; D67-T126 PolarHBondContact OD1-OG1 3.34Å
68K73.7Confident76.9Confident131 Ų13166.1 Ų66.157%0.5735%0.349SS*.SBendtrans-55.3-33.2173.6-69.5-171.3-174.9-166.80112.2P70 N125 T126K68-P70 VanDerWaalsContact O-CD 3.29Å; K68-P70 WeakPolarHBondContact O-CD 3.49Å; K68-N125 HydrophobicContact CG-CB 3.95Å; K68-T126 WeakPolarHBondContact CE-O 3.4Å; K68-T126 WeakPolarHBondContact CG-O 3.43Å
69N69Low76.2Confident139 Ų13967.6 Ų67.674%0.74336%0.357SS*.SBendtrans-112.383.5175-61.2-23.1000107.1D67 V71D67-N69 PolarHBondContact O-N 3.48Å; N69-V71 PolarHBondContact O-N 3.15Å; N69-V71 VanDerWaalsContact O-N 3.12Å
70P62.5Low75.7Confident93 Ų9369.2 Ų69.260%0.60437%0.368SS*.PPolyproline II helixtrans-60.9121.4174.725.8-31.6000107.5D67 K68 P72D67-P70 WeakPolarHBondContact O-CD 3.42Å; K68-P70 VanDerWaalsContact O-CD 3.29Å; K68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-P72 VanDerWaalsContact O-CD 3.24Å; P70-P72 WeakPolarHBondContact O-CD 3.41Å; P70-P72 VanDerWaalsContact O-N 3.17Å
71V59.5Low75.4Confident89 Ų8972.2 Ų72.254%0.53939%0.385SS..PPolyproline II helixtrans-60118.4160.91770000105.1N69 Q73 D75 M76N69-V71 PolarHBondContact O-N 3.15Å; N69-V71 VanDerWaalsContact O-N 3.12Å; V71-Q73 PolarHBondContact O-N 2.77Å; V71-D75 HydrophobicContact CG1-CB 3.6Å; V71-M76 HydrophobicContact CG1-CG 4.07Å; V71-M76 HydrophobicContact CG1-SD 4.3Å
72P61.2Low75.1Confident65 Ų6574.8 Ų74.842%0.42240%0.398SS..PPolyproline II helixtrans-48.6137.5178.9-28.435.4000110.1P70 S74 D75 M76P70-P72 VanDerWaalsContact O-CD 3.24Å; P70-P72 WeakPolarHBondContact O-CD 3.41Å; P70-P72 VanDerWaalsContact O-N 3.17Å; P72-S74 VanDerWaalsContact CB-OG 3.29Å; P72-S74 WeakPolarHBondContact CB-OG 3.45Å; P72-S74 PolarHBondContact O-N 3.35Å; P72-D75 WeakPolarHBondContact CD-OD2 3.45Å; P72-D75 WeakPolarHBondContact O-CB 3.49Å; P72-D75 PolarHBondContact O-N 3.08Å; P72-M76 PolarHBondContact O-N 2.87Å
73Q63Low74.6Confident161 Ų16175.1 Ų75.175%0.75240%0.401SS*.Hα-helixtrans-56.5-25.7177.4-76.4-178.7-10.900112V71 D75 M76 T77V71-Q73 PolarHBondContact O-N 2.77Å; Q73-D75 VanDerWaalsContact C-N 3.33Å; Q73-M76 PolarHBondContact O-N 3.02Å; Q73-T77 WeakPolarHBondContact O-CB 3.29Å; Q73-T77 PolarHBondContact O-N 3.21Å; Q73-T77 PolarHBondContact O-OG1 2.72Å
74S62.8Low74.2Confident76 Ų7676 Ų7653%0.53141%0.408SS..Hα-helixtrans-58.3-42170.254.90000112.4P72 T77 Q78P72-S74 VanDerWaalsContact CB-OG 3.29Å; P72-S74 WeakPolarHBondContact CB-OG 3.45Å; P72-S74 PolarHBondContact O-N 3.35Å; S74-T77 PolarHBondContact O-N 3.44Å; S74-Q78 VanDerWaalsContact O-CB 3.31Å; S74-Q78 WeakPolarHBondContact O-CB 3.45Å; S74-Q78 PolarHBondContact O-N 3.01Å
75D67.1Low73.9Confident87 Ų8780.7 Ų80.747%0.46543%0.429SS..Hα-helixtrans-73.1-36-178.4-68.20.7000111.1V71 P72 Q73 Q78 L79V71-D75 HydrophobicContact CG1-CB 3.6Å; P72-D75 WeakPolarHBondContact CD-OD2 3.45Å; P72-D75 WeakPolarHBondContact O-CB 3.49Å; P72-D75 PolarHBondContact O-N 3.08Å; Q73-D75 VanDerWaalsContact C-N 3.33Å; D75-Q78 PolarHBondContact O-N 3.43Å; D75-L79 WeakPolarHBondContact O-CB 3.48Å; D75-L79 PolarHBondContact O-N 3.29Å
76M68.2Low73.5Confident77 Ų7784 Ų8438%0.37945%0.446SS..Hα-helixtrans-66.5-40.3171.7-72.4-60.9-63.800111.8V71 P72 Q73 Q78 L79 V80 L102V71-M76 HydrophobicContact CG1-CG 4.07Å; V71-M76 HydrophobicContact CG1-SD 4.3Å; P72-M76 PolarHBondContact O-N 2.87Å; Q73-M76 PolarHBondContact O-N 3.02Å; M76-Q78 VanDerWaalsContact C-N 3.33Å; M76-L79 PolarHBondContact O-N 3.2Å; M76-V80 VanDerWaalsContact O-CG2 3.29Å; M76-V80 WeakPolarHBondContact O-CG2 3.26Å; M76-V80 PolarHBondContact O-N 3.27Å; M76-L102 HydrophobicContact CE-CD2 4.36Å
77T73.5Confident73.2Confident80 Ų8084.2 Ų84.249%0.49145%0.447SS..Hα-helixtrans-65.1-41.8175.4-54.80000110.4Q73 S74 V80 N81Q73-T77 WeakPolarHBondContact O-CB 3.29Å; Q73-T77 PolarHBondContact O-N 3.21Å; Q73-T77 PolarHBondContact O-OG1 2.72Å; S74-T77 PolarHBondContact O-N 3.44Å; T77-V80 PolarHBondContact O-N 3.2Å; T77-N81 WeakPolarHBondContact O-CB 3.36Å; T77-N81 PolarHBondContact O-N 3.41Å; T77-N81 PolarHBondContact O-ND2 3.39Å
78Q77.4Confident73.2Confident101 Ų10190.6 Ų90.647%0.47247%0.466SS..Hα-helixtrans-61.4-46.5174.2-169.161.233.900110.8S74 D75 M76 V80 N81 D82S74-Q78 VanDerWaalsContact O-CB 3.31Å; S74-Q78 WeakPolarHBondContact O-CB 3.45Å; S74-Q78 PolarHBondContact O-N 3.01Å; D75-Q78 PolarHBondContact O-N 3.43Å; M76-Q78 VanDerWaalsContact C-N 3.33Å; Q78-V80 PolarHBondContact O-N 3.46Å; Q78-N81 CarbonylContact O-C 3.51Å; Q78-N81 WeakPolarHBondContact O-CB 3.4Å; Q78-N81 PolarHBondContact O-N 3.48Å; Q78-N81 VanDerWaalsContact O-N 3.15Å; Q78-D82 PolarHBondContact NE2-OD1 2.78Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 3.42Å
79L73Confident73.6Confident88 Ų8890.4 Ų90.446%0.46147%0.467SS..Hα-helixtrans-60.3-43.6176.6-165.584.4000112D75 M76 N81 D82 V83D75-L79 WeakPolarHBondContact O-CB 3.48Å; D75-L79 PolarHBondContact O-N 3.29Å; M76-L79 PolarHBondContact O-N 3.2Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-D82 PolarHBondContact O-N 3.08Å; L79-V83 WeakPolarHBondContact O-CB 3.33Å; L79-V83 WeakPolarHBondContact O-CG2 3.47Å; L79-V83 PolarHBondContact O-N 3.39Å
80V77.4Confident73.7Confident58 Ų5888.6 Ų88.635%0.35246%0.456SS..Hα-helixtrans-63.5-42.51761710000110.7M76 T77 Q78 V83 A84 L102M76-V80 VanDerWaalsContact O-CG2 3.29Å; M76-V80 WeakPolarHBondContact O-CG2 3.26Å; M76-V80 PolarHBondContact O-N 3.27Å; T77-V80 PolarHBondContact O-N 3.2Å; Q78-V80 PolarHBondContact O-N 3.46Å; V80-V83 PolarHBondContact O-N 2.89Å; V80-A84 VanDerWaalsContact O-CB 3.26Å; V80-A84 WeakPolarHBondContact O-CB 3.09Å; V80-A84 PolarHBondContact O-N 2.85Å; V80-L102 HydrophobicContact CG2-CD1 4.24Å
81N80.6Confident74.3Confident79 Ų7995.9 Ų95.942%0.42247%0.471SS..Hα-helixtrans-64.6-42.8176.6-74.1-24.4000111.7T77 Q78 L79 A84 F85T77-N81 WeakPolarHBondContact O-CB 3.36Å; T77-N81 PolarHBondContact O-N 3.41Å; T77-N81 PolarHBondContact O-ND2 3.39Å; Q78-N81 CarbonylContact O-C 3.51Å; Q78-N81 WeakPolarHBondContact O-CB 3.4Å; Q78-N81 PolarHBondContact O-N 3.48Å; Q78-N81 VanDerWaalsContact O-N 3.15Å; L79-N81 VanDerWaalsContact C-N 3.34Å; N81-A84 CarbonylContact O-C 3.56Å; N81-A84 WeakPolarHBondContact O-CB 3.49Å; N81-A84 PolarHBondContact O-N 3.04Å; N81-F85 WeakPolarHBondContact O-CB 3.44Å; N81-F85 PolarHBondContact O-N 3.03Å
82D81.9Confident74.8Confident71 Ų7195.3 Ų95.338%0.3847%0.465SS..Hα-helixtrans-64.7-45.7177.3-67.6-16.1000110Q78 L79 A84 F85 L86Q78-D82 PolarHBondContact NE2-OD1 2.78Å; Q78-D82 WeakPolarHBondContact O-CB 3.44Å; Q78-D82 PolarHBondContact O-N 3.42Å; L79-D82 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact C-N 3.29Å; D82-A84 PolarHBondContact O-N 3.15Å; D82-F85 WeakPolarHBondContact O-CB 3.41Å; D82-F85 PolarHBondContact O-N 3.48Å; D82-F85 VanDerWaalsContact O-N 3.17Å; D82-L86 WeakPolarHBondContact O-CB 3.12Å; D82-L86 VanDerWaalsContact O-CG 3.25Å; D82-L86 WeakPolarHBondContact O-CG 3.24Å; D82-L86 PolarHBondContact O-N 2.98Å
83V77.8Confident75.2Confident18 Ų18101.4 Ų101.411%0.10949%0.485CS..Hα-helixtrans-61.2-39.4172.9171.80000111L79 V80 R87 M98 Q99L79-V83 WeakPolarHBondContact O-CB 3.33Å; L79-V83 WeakPolarHBondContact O-CG2 3.47Å; L79-V83 PolarHBondContact O-N 3.39Å; V80-V83 PolarHBondContact O-N 2.89Å; V83-R87 WeakPolarHBondContact O-CB 3.41Å; V83-R87 PolarHBondContact O-N 2.71Å; V83-M98 HydrophobicContact CB-CE 4.3Å; V83-M98 HydrophobicContact CG1-CE 3.49Å; V83-M98 VanDerWaalsContact CG1-CE 3.49Å; V83-M98 HydrophobicContact CG2-CE 3.71Å; V83-Q99 HydrophobicContact CG1-CG 3.86Å
84A81.5Confident75.5Confident20 Ų20100.1 Ų100.117%0.16548%0.483CS..Hα-helixtrans-68.9-33.4175.600000113V80 N81 D82 R88 Q99V80-A84 VanDerWaalsContact O-CB 3.26Å; V80-A84 WeakPolarHBondContact O-CB 3.09Å; V80-A84 PolarHBondContact O-N 2.85Å; N81-A84 CarbonylContact O-C 3.56Å; N81-A84 WeakPolarHBondContact O-CB 3.49Å; N81-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact C-N 3.29Å; D82-A84 PolarHBondContact O-N 3.15Å; A84-R88 WeakPolarHBondContact O-CB 3.45Å; A84-R88 WeakPolarHBondContact O-CG 3.45Å; A84-R88 PolarHBondContact O-N 3.31Å; A84-R88 VanDerWaalsContact O-N 3.16Å; A84-R88 PolarHBondContact O-NE 2.82Å; A84-Q99 VanDerWaalsContact CA-NE2 3.3Å
85F83.7Confident75.6Confident108 Ų10896.8 Ų96.847%0.47446%0.46SS..Hα-helixtrans-68.5-50172.8174.9-91.7000110.2N81 D82 R87 R88 H89N81-F85 WeakPolarHBondContact O-CB 3.44Å; N81-F85 PolarHBondContact O-N 3.03Å; D82-F85 WeakPolarHBondContact O-CB 3.41Å; D82-F85 PolarHBondContact O-N 3.48Å; D82-F85 VanDerWaalsContact O-N 3.17Å; F85-R87 VanDerWaalsContact C-N 3.31Å; F85-R87 PolarHBondContact O-N 3.28Å; F85-R88 WeakPolarHBondContact O-CB 3.35Å; F85-R88 PolarHBondContact O-N 3.17Å; F85-H89 AromaticContact CD2-CE1 3.37Å; F85-H89 WeakPolarHBondContact CD2-CE1 3.11Å; F85-H89 AromaticContact CD2-ND1 3.41Å; F85-H89 WeakPolarHBondContact CD2-ND1 2.92Å; F85-H89 AromaticContact CE2-CE1 3.16Å; F85-H89 WeakPolarHBondContact CE2-CE1 3.48Å; F85-H89 AromaticContact CE2-ND1 3.35Å; F85-H89 WeakPolarHBondContact CE2-ND1 3.12Å; F85-H89 AromaticContact CE2-NE2 3.76Å; F85-H89 AromaticContact CG-ND1 3.77Å; F85-H89 AromaticContact CZ-CE1 3.83Å; F85-H89 AromaticContact CZ-CG 3.93Å; F85-H89 AromaticContact CZ-ND1 3.66Å; F85-H89 PolarHBondContact O-N 2.97Å; F85-H89 PolarHBondContact O-ND1 2.72Å
86L80.4Confident75.5Confident68 Ų6894.8 Ų94.836%0.35645%0.453SS..Hα-helixtrans-61.3-38.4176.7-69-178.1000111.4D82 R88 M90 L92D82-L86 WeakPolarHBondContact O-CB 3.12Å; D82-L86 VanDerWaalsContact O-CG 3.25Å; D82-L86 WeakPolarHBondContact O-CG 3.24Å; D82-L86 PolarHBondContact O-N 2.98Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.79Å; L86-M90 HydrophobicContact CD2-CE 3.81Å; L86-M90 CarbonylContact O-C 3.51Å; L86-M90 VanDerWaalsContact O-CA 3.24Å; L86-M90 WeakPolarHBondContact O-CA 3.5Å; L86-M90 WeakPolarHBondContact O-CB 3.23Å; L86-M90 PolarHBondContact O-N 3.24Å; L86-L92 HydrophobicContact CB-CD1 3.98Å
87R80.1Confident75.5Confident102 Ų10299.1 Ų99.139%0.38547%0.469SS..Hα-helixtrans-65.6-34174.6-177176.7-178.7-173.9-5.1112.7V83 F85 M90 A95 S96V83-R87 WeakPolarHBondContact O-CB 3.41Å; V83-R87 PolarHBondContact O-N 2.71Å; F85-R87 VanDerWaalsContact C-N 3.31Å; F85-R87 PolarHBondContact O-N 3.28Å; R87-M90 CarbonylContact C-O 3.51Å; R87-M90 VanDerWaalsContact O-O 3.08Å; R87-A95 HydrophobicContact CB-CB 3.99Å; R87-A95 HydrophobicContact CG-CB 3.81Å; R87-S96 VanDerWaalsContact NH1-CA 3.31Å
88R82.8Confident74.9Confident191 Ų19199.9 Ų99.972%0.72147%0.469SS*.Hα-helixtrans-75-39.8178.4-83.1-176.9-88178.7-7.5112A84 F85 L86A84-R88 WeakPolarHBondContact O-CB 3.45Å; A84-R88 WeakPolarHBondContact O-CG 3.45Å; A84-R88 PolarHBondContact O-N 3.31Å; A84-R88 VanDerWaalsContact O-N 3.16Å; A84-R88 PolarHBondContact O-NE 2.82Å; F85-R88 WeakPolarHBondContact O-CB 3.35Å; F85-R88 PolarHBondContact O-N 3.17Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.79Å
89H82.9Confident74.3Confident128 Ų12896.6 Ų96.659%0.59345%0.453SS*.Hα-helixtrans-96.5-28.1-173.4-64.483.7000113.1F85F85-H89 AromaticContact CD2-CE1 3.37Å; F85-H89 WeakPolarHBondContact CD2-CE1 3.11Å; F85-H89 AromaticContact CD2-ND1 3.41Å; F85-H89 WeakPolarHBondContact CD2-ND1 2.92Å; F85-H89 AromaticContact CE2-CE1 3.16Å; F85-H89 WeakPolarHBondContact CE2-CE1 3.48Å; F85-H89 AromaticContact CE2-ND1 3.35Å; F85-H89 WeakPolarHBondContact CE2-ND1 3.12Å; F85-H89 AromaticContact CE2-NE2 3.76Å; F85-H89 AromaticContact CG-ND1 3.77Å; F85-H89 AromaticContact CZ-CE1 3.83Å; F85-H89 AromaticContact CZ-CG 3.93Å; F85-H89 AromaticContact CZ-ND1 3.66Å; F85-H89 PolarHBondContact O-N 2.97Å; F85-H89 PolarHBondContact O-ND1 2.72Å
90M69.9Low73.9Confident101 Ų10196.7 Ų96.750%0.49845%0.454SS..SBendtrans-111.9131.5175.4-49.7-147.6-70.400108.7L86 R87 L92L86-M90 HydrophobicContact CD2-CE 3.81Å; L86-M90 CarbonylContact O-C 3.51Å; L86-M90 VanDerWaalsContact O-CA 3.24Å; L86-M90 WeakPolarHBondContact O-CA 3.5Å; L86-M90 WeakPolarHBondContact O-CB 3.23Å; L86-M90 PolarHBondContact O-N 3.24Å; R87-M90 CarbonylContact C-O 3.51Å; R87-M90 VanDerWaalsContact O-O 3.08Å; M90-L92 HydrophobicContact CB-CG 4.21Å; M90-L92 PolarHBondContact O-N 2.83Å
91R74.8Confident73Confident245 Ų24597.6 Ų97.693%0.92546%0.463SS*.  trans-70.358.7179.3-68-176.4175.4177.1-1.1112.2K93R91-K93 PolarHBondContact O-N 3.48Å
92L71Confident72.1Confident78 Ų7895.9 Ų95.941%0.40845%0.454SS..  trans-70.3100.1179.2-70.3169.2000109.5L86 M90 N94 A95L86-L92 HydrophobicContact CB-CD1 3.98Å; M90-L92 HydrophobicContact CB-CG 4.21Å; M90-L92 PolarHBondContact O-N 2.83Å; L92-N94 PolarHBondContact O-N 3.12Å; L92-N94 VanDerWaalsContact O-N 3.11Å; L92-A95 HydrophobicContact CB-CB 3.68Å; L92-A95 HydrophobicContact CD1-CB 4.32Å; L92-A95 PolarHBondContact O-N 3.02Å
93K69.5Low71Confident193 Ų19399.9 Ų99.984%0.83947%0.468SS*.THydrogen-bonded Turntrans-64.1-15.1-176.5-64.4-175.3178.8-178.70114.2R91R91-K93 PolarHBondContact O-N 3.48Å
94N68.8Low70.1Confident134 Ų134104.7 Ų104.772%0.71749%0.493SS*.THydrogen-bonded Turntrans-117.21.6-177.2-63.7-23.7000114.4L92 S96 K97L92-N94 PolarHBondContact O-N 3.12Å; L92-N94 VanDerWaalsContact O-N 3.11Å; N94-S96 PolarHBondContact O-N 3.2Å; N94-K97 PolarHBondContact O-N 3.17Å
95A65.1Low69Low5 Ų5108.6 Ų108.64%0.04151%0.51CS..Hα-helixtrans-68.2-23-175.900000113.4R87 L92 M98 Q99R87-A95 HydrophobicContact CB-CB 3.99Å; R87-A95 HydrophobicContact CG-CB 3.81Å; L92-A95 HydrophobicContact CB-CB 3.68Å; L92-A95 HydrophobicContact CD1-CB 4.32Å; L92-A95 PolarHBondContact O-N 3.02Å; A95-M98 PolarHBondContact O-N 3.1Å; A95-Q99 WeakPolarHBondContact O-CB 3.45Å; A95-Q99 WeakPolarHBondContact O-CG 3.36Å; A95-Q99 PolarHBondContact O-N 2.95Å
96S65.8Low67.6Low46 Ų46109.9 Ų109.932%0.32252%0.522SS..Hα-helixtrans-60.5-44.5173.452.90000112.9R87 N94 M98 Q99 N100R87-S96 VanDerWaalsContact NH1-CA 3.31Å; N94-S96 PolarHBondContact O-N 3.2Å; S96-M98 VanDerWaalsContact C-N 3.34Å; S96-Q99 PolarHBondContact O-N 3.4Å; S96-N100 WeakPolarHBondContact O-CB 3.27Å; S96-N100 VanDerWaalsContact O-CG 3.27Å; S96-N100 PolarHBondContact O-N 3.45Å
97K67.1Low66.4Low167 Ų167112.4 Ų112.473%0.72654%0.54SS*.Hα-helixtrans-63.9-43.1179.1-167.5175-177.9178.90110.6N94 N100 S101N94-K97 PolarHBondContact O-N 3.17Å; K97-N100 PolarHBondContact O-N 2.92Å; K97-S101 PolarHBondContact O-N 3.36Å
98M60.7Low65.4Low97 Ų97109.3 Ų109.348%0.47853%0.531SS..Hα-helixtrans-67.1-44.2178.8-165.5171.573.800112.5V83 A95 S96 N100 S101 L102V83-M98 HydrophobicContact CB-CE 4.3Å; V83-M98 HydrophobicContact CG1-CE 3.49Å; V83-M98 VanDerWaalsContact CG1-CE 3.49Å; V83-M98 HydrophobicContact CG2-CE 3.71Å; A95-M98 PolarHBondContact O-N 3.1Å; S96-M98 VanDerWaalsContact C-N 3.34Å; M98-N100 VanDerWaalsContact C-N 3.35Å; M98-N100 PolarHBondContact O-N 3.42Å; M98-S101 WeakPolarHBondContact O-CB 3.46Å; M98-S101 PolarHBondContact O-N 3.29Å; M98-L102 WeakPolarHBondContact O-CG 3.43Å; M98-L102 PolarHBondContact O-N 3.02Å
99Q65.3Low64.5Low31 Ų31103.6 Ų103.615%0.14552%0.519CS..Hα-helixtrans-64.1-37176.6-76.8-176.6-17.300113V83 A84 A95 S96 L102 K103V83-Q99 HydrophobicContact CG1-CG 3.86Å; A84-Q99 VanDerWaalsContact CA-NE2 3.3Å; A95-Q99 WeakPolarHBondContact O-CB 3.45Å; A95-Q99 WeakPolarHBondContact O-CG 3.36Å; A95-Q99 PolarHBondContact O-N 2.95Å; S96-Q99 PolarHBondContact O-N 3.4Å; Q99-L102 PolarHBondContact O-N 3.27Å; Q99-K103 WeakPolarHBondContact O-CG 3.26Å; Q99-K103 PolarHBondContact O-N 3.12Å
100N64.3Low63.6Low90 Ų90103 Ų10348%0.48153%0.525SS..Hα-helixtrans-70.7-37.7176-70.7-9.5000111.6S96 K97 M98 L102 K103 N104S96-N100 WeakPolarHBondContact O-CB 3.27Å; S96-N100 VanDerWaalsContact O-CG 3.27Å; S96-N100 PolarHBondContact O-N 3.45Å; K97-N100 PolarHBondContact O-N 2.92Å; M98-N100 VanDerWaalsContact C-N 3.35Å; M98-N100 PolarHBondContact O-N 3.42Å; N100-L102 VanDerWaalsContact C-N 3.31Å; N100-L102 PolarHBondContact O-N 3.36Å; N100-K103 PolarHBondContact O-N 2.91Å; N100-N104 PolarHBondContact O-N 3.1Å; N100-N104 VanDerWaalsContact O-N 3.08Å
101S59.2Low63.4Low78 Ų7899.2 Ų99.255%0.54551%0.507SS..Hα-helixtrans-59.2-42.7171.1-111.70000111.9K97 M98 K103 N104 L105K97-S101 PolarHBondContact O-N 3.36Å; M98-S101 WeakPolarHBondContact O-CB 3.46Å; M98-S101 PolarHBondContact O-N 3.29Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 3.14Å; S101-N104 PolarHBondContact O-N 3.18Å; S101-L105 WeakPolarHBondContact O-CG 3.26Å; S101-L105 PolarHBondContact O-N 3.16Å
102L62.3Low63.2Low42 Ų4292.5 Ų92.522%0.2249%0.493CS..Hα-helixtrans-62.4-36.7178.2-74.6166.5000112.6M76 V80 M98 Q99 N100 L105M76-L102 HydrophobicContact CE-CD2 4.36Å; V80-L102 HydrophobicContact CG2-CD1 4.24Å; M98-L102 WeakPolarHBondContact O-CG 3.43Å; M98-L102 PolarHBondContact O-N 3.02Å; Q99-L102 PolarHBondContact O-N 3.27Å; N100-L102 VanDerWaalsContact C-N 3.31Å; N100-L102 PolarHBondContact O-N 3.36Å; L102-L105 HydrophobicContact CD2-CD1 3.89Å
103K58.6Low63.3Low156 Ų15688.8 Ų88.868%0.67847%0.474SS*.Hα-helixtrans-72-30.8176.5-69.7178.8179.9-172.20113.1Q99 N100 S101 L105Q99-K103 WeakPolarHBondContact O-CG 3.26Å; Q99-K103 PolarHBondContact O-N 3.12Å; N100-K103 PolarHBondContact O-N 2.91Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 3.14Å; K103-L105 VanDerWaalsContact C-N 3.34Å
104N57.8Low62.8Low118 Ų11883.1 Ų83.163%0.63146%0.459SS*.Hα-helixtrans-85.3-2.7-178.7-71.4-13.2000114.1N100 S101 N106N100-N104 PolarHBondContact O-N 3.1Å; N100-N104 VanDerWaalsContact O-N 3.08Å; S101-N104 PolarHBondContact O-N 3.18Å; N104-N106 PolarHBondContact O-N 2.85Å
105L59.5Low62.5Low102 Ų10283.6 Ų83.653%0.53446%0.456SS..THydrogen-bonded Turntrans-66-11.9178.1-80.8160.5000114.3S101 L102 K103S101-L105 WeakPolarHBondContact O-CG 3.26Å; S101-L105 PolarHBondContact O-N 3.16Å; L102-L105 HydrophobicContact CD2-CD1 3.89Å; K103-L105 VanDerWaalsContact C-N 3.34Å
106N53.9Low62.1Low135 Ų13590 Ų9072%0.72250%0.495SS*.THydrogen-bonded Turntrans-107.619.1-171.8-86.6-22.6000114.8N104 D108N104-N106 PolarHBondContact O-N 2.85Å; N106-D108 VanDerWaalsContact C-N 3.27Å; N106-D108 PolarHBondContact O-N 2.63Å
107V55.6Low61.9Low122 Ų12291.8 Ų91.874%0.73951%0.512SS*.  trans-83.580.4173.3-170.80000108.6
108D58.5Low61.8Low36 Ų3687 Ų8719%0.19351%0.51CS..PPolyproline II helixtrans-60.5131.9168.8-80.7-44.7000109R32 N106 T110R32-D108 HydrophobicContact CB-CB 4.34Å; R32-D108 WeakPolarHBondContact CB-OD1 2.97Å; R32-D108 VanDerWaalsContact CD-CG 3.45Å; R32-D108 WeakPolarHBondContact CD-OD2 3.31Å; R32-D108 HydrophobicContact CG-CB 4.49Å; R32-D108 WeakPolarHBondContact CG-OD1 2.86Å; R32-D108 IonicContact CZ-OD2 3.94Å; R32-D108 PolarHBondContact N-OD1 3.17Å; R32-D108 IonicContact NE-OD2 3.1Å; R32-D108 PolarHBondContact NE-OD2 2.79Å; R32-D108 IonicContact NH1-OD2 3.2Å; R32-D108 PolarHBondContact NH1-OD2 2.75Å; R32-D108 VanDerWaalsContact NH1-OD2 3.12Å; R32-D108 IonicContact NH2-OD2 3.36Å; N106-D108 VanDerWaalsContact C-N 3.27Å; N106-D108 PolarHBondContact O-N 2.63Å; D108-T110 PolarHBondContact O-N 2.74Å; D108-T110 VanDerWaalsContact O-N 3.17Å
109P63.4Low62.3Low72 Ų7283.9 Ų83.947%0.46850%0.495SS..PPolyproline II helixtrans-62.3122.7176.224.5-30.4000108.8Y34Y34-P109 HydrophobicContact CE2-CG 4.18Å; Y34-P109 WeakPolarHBondContact CE2-O 3.33Å; Y34-P109 PolarHBondContact OH-O 3.15Å
110T65Low63Low116 Ų11688.4 Ų88.471%0.71252%0.516SS*.PPolyproline II helixtrans-73.2135.1171.648.50000109.1D108D108-T110 PolarHBondContact O-N 2.74Å; D108-T110 VanDerWaalsContact O-N 3.17Å
111P66.2Low63.9Low20 Ų2090.3 Ų90.313%0.1352%0.517CS..PPolyproline II helixtrans-66.8147177.827.3-33000109.7Y34 C113 S114Y34-P111 HydrophobicContact CD1-CB 3.81Å; Y34-P111 HydrophobicContact CD1-CG 3.82Å; Y34-P111 HydrophobicContact CE1-CB 4.31Å; Y34-P111 HydrophobicContact CE1-CG 3.86Å; Y34-P111 HydrophobicContact CG-CB 4.07Å; P111-C113 PolarHBondContact O-N 2.86Å; P111-S114 PolarHBondContact O-N 3.19Å; P111-S114 PolarHBondContact O-OG 2.66Å
112V70.5Confident65.1Low104 Ų10488.6 Ų88.663%0.6350%0.501SS*.SBendtrans-52.3-21.5179.4-179.20000113.1
113C73.2Confident66.2Low1 Ų191.1 Ų91.11%0.00752%0.518CS..SBendtrans-101.752.1-176.4-39.90000113.4C54 L55 R60 P111 H115C54-C113 HydrophobicContact CB-CB 3.92Å; C54-C113 WeakPolarHBondContact CB-SG 3.41Å; C54-C113 WeakPolarHBondContact SG-CB 3.34Å; C54-C113 CovalentContact SG-SG 2.02Å; C54-C113 PolarHBondContact SG-SG 2.76Å; L55-C113 HydrophobicContact CD2-CB 3.79Å; L55-C113 HydrophobicContact CG-CB 4.36Å; R60-C113 PolarHBondContact NH1-O 3.11Å; R60-C113 VanDerWaalsContact NH1-O 3.17Å; P111-C113 PolarHBondContact O-N 2.86Å; C113-H115 PolarHBondContact O-N 2.76Å
114S59.1Low67.5Low74 Ų7484.4 Ų84.452%0.51749%0.49SS..  trans-6229.6-163.7-55.30000119.9P111 T116P111-S114 PolarHBondContact O-N 3.19Å; P111-S114 PolarHBondContact O-OG 2.66Å; S114-T116 PolarHBondContact O-N 3.25Å
115H62.5Low68.6Low144 Ų14482.4 Ų82.467%0.66748%0.479SS*.  trans-80.8105.4161.5-71.5-79.7000108.6R60 C113 A117R60-H115 PolarHBondContact NH1-O 3.03Å; R60-H115 PolarHBondContact NH2-O 3.4Å; C113-H115 PolarHBondContact O-N 2.76Å; H115-A117 VanDerWaalsContact C-N 3.27Å; H115-A117 PolarHBondContact O-N 2.02Å
116T56.3Low69.3Low139 Ų13978.4 Ų78.485%0.85346%0.459SS*.  trans-75.42.6-167.413.10000116.3S114S114-T116 PolarHBondContact O-N 3.25Å
117A61.6Low70.1Confident83 Ų8374.5 Ų74.569%0.68645%0.451SS*.SBendtrans-88.3132.9-177.100000112.4R60 H115R60-A117 PolarHBondContact NH2-O 3.17Å; R60-A117 VanDerWaalsContact NH2-O 3.16Å; H115-A117 VanDerWaalsContact C-N 3.27Å; H115-A117 PolarHBondContact O-N 2.02Å
118G65.3Low71Confident66 Ų6670.4 Ų70.468%0.6843%0.429SS*.SBendtrans82.711.1164.400000117N58 E120N58-G118 PolarHBondContact ND2-O 2.87Å; G118-E120 PolarHBondContact O-N 3.44Å
119M70.2Confident71.5Confident32 Ų3274.4 Ų74.416%0.15845%0.45CS..  trans-65.9129.9176.8-172.7155.6-164.400111.2Y34 R60 V61 E62 R121Y34-M119 HydrophobicContact CD1-CE 3.41Å; Y34-M119 VanDerWaalsContact CD1-CE 3.41Å; Y34-M119 HydrophobicContact CD1-SD 3.93Å; Y34-M119 HydrophobicContact CE1-CE 4.01Å; Y34-M119 HydrophobicContact CE1-SD 3.97Å; Y34-M119 HydrophobicContact CG-CE 4.43Å; R60-M119 HydrophobicContact CB-CE 3.6Å; R60-M119 HydrophobicContact CB-SD 4.45Å; R60-M119 WeakPolarHBondContact CD-SD 3.4Å; R60-M119 HydrophobicContact CG-CE 3.59Å; R60-M119 HydrophobicContact CG-CG 3.94Å; R60-M119 HydrophobicContact CG-SD 3.81Å; V61-M119 WeakPolarHBondContact O-CE 3.37Å; E62-M119 HydrophobicContact CB-CE 3.58Å; E62-M119 HydrophobicContact CB-CG 3.94Å; E62-M119 HydrophobicContact CB-SD 3.8Å; M119-R121 PolarHBondContact O-N 3.15Å
120E79.1Confident71.9Confident126 Ų12673 Ų7359%0.58944%0.438SS*.EExtended strand (participates in β ladder)trans-69.7115.6169.7-169.9177.5162.400108.8E62 G118E62-E120 PolarHBondContact N-O 2.92Å; G118-E120 PolarHBondContact O-N 3.44Å
121R83.1Confident71.9Confident130 Ų13069.7 Ų69.749%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-103.6125.3178179.2-176.7-71157.33.6110E62 D64 M119E62-R121 HydrophobicContact CB-CB 4.34Å; E62-R121 HydrophobicContact CB-CG 4.43Å; E62-R121 HydrophobicContact CG-CG 4.49Å; E62-R121 IonicContact OE1-CZ 3.35Å; E62-R121 VanDerWaalsContact OE1-CZ 3.29Å; E62-R121 IonicContact OE1-NE 3.15Å; E62-R121 PolarHBondContact OE1-NE 3.42Å; E62-R121 IonicContact OE1-NH2 3.29Å; E62-R121 PolarHBondContact OE1-NH2 2.97Å; E62-R121 VanDerWaalsContact OE1-NH2 3.1Å; E62-R121 IonicContact OE2-CZ 2.72Å; E62-R121 IonicContact OE2-NE 3.2Å; E62-R121 IonicContact OE2-NH2 3.99Å; E62-R121 PolarHBondContact OE2-NH2 3.46Å; D64-R121 HydrophobicContact CB-CG 4.39Å; M119-R121 PolarHBondContact O-N 3.15Å
122L85.7Confident71.8Confident42 Ų4269.6 Ų69.622%0.2242%0.421CS..EExtended strand (participates in β ladder)trans-111.8117.9175.4-62.7171.5000108.6V61 E62 F63 D64 I124 L130 L132V61-L122 HydrophobicContact CG1-CD1 3.62Å; V61-L122 HydrophobicContact CG1-CG 4.25Å; E62-L122 PolarHBondContact O-N 3.45Å; F63-L122 WeakPolarHBondContact CA-O 3.5Å; F63-L122 HydrophobicContact CD1-CB 4.07Å; F63-L122 HydrophobicContact CD1-CD1 4.2Å; F63-L122 HydrophobicContact CE1-CB 4.34Å; F63-L122 HydrophobicContact CE1-CD1 3.61Å; F63-L122 HydrophobicContact CZ-CD1 4.43Å; D64-L122 PolarHBondContact N-O 3.45Å; L122-I124 HydrophobicContact CB-CD1 4.15Å; L122-I124 HydrophobicContact CB-CG1 4.3Å; L122-L130 HydrophobicContact CD1-CD2 3.92Å; L122-L132 HydrophobicContact CD1-CD2 4.11Å
123V84.8Confident71.2Confident95 Ų9571.8 Ų71.858%0.57642%0.422SS*.EExtended strand (participates in β ladder)trans-84.8118.3173.1-178.50000107.9D64 R66D64-V123 HydrophobicContact CB-CG2 4.4Å; D64-V123 WeakPolarHBondContact O-CA 3.34Å; R66-V123 HydrophobicContact CG-CG1 3.84Å
124I85.2Confident70.2Confident16 Ų1674.5 Ų74.58%0.08244%0.437CS..EExtended strand (participates in β ladder)trans-123.5129-173.3-54-66.5000109.8F15 F63 D64 V65 R66 L122 A128 L130F15-I124 HydrophobicContact CB-CG2 3.96Å; F15-I124 HydrophobicContact CD1-CB 4.39Å; F15-I124 HydrophobicContact CD1-CG2 4.03Å; F15-I124 HydrophobicContact CD2-CB 4.49Å; F15-I124 HydrophobicContact CD2-CG2 3.53Å; F15-I124 HydrophobicContact CE1-CG1 4.42Å; F15-I124 HydrophobicContact CE1-CG2 4.45Å; F15-I124 HydrophobicContact CE2-CG1 4.27Å; F15-I124 HydrophobicContact CE2-CG2 4Å; F15-I124 HydrophobicContact CG-CB 4.37Å; F15-I124 HydrophobicContact CG-CG2 3.54Å; F15-I124 HydrophobicContact CZ-CG1 4.17Å; F15-I124 HydrophobicContact CZ-CG2 4.44Å; F63-I124 HydrophobicContact CD1-CG1 3.98Å; D64-I124 PolarHBondContact O-N 3.2Å; V65-I124 CarbonylContact C-O 3.5Å; V65-I124 VanDerWaalsContact CA-O 3.29Å; V65-I124 WeakPolarHBondContact CA-O 3.29Å; R66-I124 PolarHBondContact N-O 2.75Å; L122-I124 HydrophobicContact CB-CD1 4.15Å; L122-I124 HydrophobicContact CB-CG1 4.3Å; I124-A128 HydrophobicContact CG2-CB 3.71Å; I124-L130 HydrophobicContact CD1-CD1 4.38Å; I124-L130 HydrophobicContact CD1-CD2 3.98Å
125N82.5Confident69.6Low76 Ų7676.4 Ų76.441%0.40645%0.447SS..EExtended strand (participates in β ladder)trans-79.5143.7173.1-68.2-33.9000111.1R66 K68 G127 A128R66-N125 CarbonylContact O-C 3.45Å; R66-N125 WeakPolarHBondContact O-CA 3.42Å; K68-N125 HydrophobicContact CG-CB 3.95Å; N125-G127 PolarHBondContact O-N 3.46Å; N125-A128 WeakPolarHBondContact O-CB 3.14Å; N125-A128 PolarHBondContact O-N 3.44Å
126T73.8Confident68.9Low17 Ų1774.1 Ų74.110%0.10444%0.435CS..THydrogen-bonded Turntrans-54.1133.5170.946.80000110.5P29 V65 R66 D67 K68P29-T126 HydrophobicContact CB-CG2 3.92Å; P29-T126 HydrophobicContact CG-CG2 3.63Å; V65-T126 HydrophobicContact CG1-CG2 3.66Å; R66-T126 PolarHBondContact O-N 3.34Å; R66-T126 PolarHBondContact O-OG1 3.35Å; D67-T126 PolarHBondContact OD1-OG1 3.34Å; K68-T126 WeakPolarHBondContact CE-O 3.4Å; K68-T126 WeakPolarHBondContact CG-O 3.43Å
127G70.8Confident68.1Low54 Ų5477.5 Ų77.556%0.55743%0.434SS*.THydrogen-bonded Turntrans84.34.4-173.800000115.1F15 N125F15-G127 WeakPolarHBondContact O-CA 3.17Å; F15-G127 PolarHBondContact O-N 3.32Å; N125-G127 PolarHBondContact O-N 3.46Å
128A73.4Confident67.1Low35 Ų3578.4 Ų78.429%0.28942%0.42SS..  trans-79.7146.9170.100000111.6F15 I124 N125F15-A128 PolarHBondContact N-O 3.29Å; F15-A128 VanDerWaalsContact N-O 3.16Å; I124-A128 HydrophobicContact CG2-CB 3.71Å; N125-A128 WeakPolarHBondContact O-CB 3.14Å; N125-A128 PolarHBondContact O-N 3.44Å
129L69.9Low65.7Low120 Ų12084.9 Ų84.963%0.62843%0.43SS*.EExtended strand (participates in β ladder)trans-105122.1170.6-177.568.6000108T12 V14T12-L129 HydrophobicContact CG2-CD1 3.56Å; T12-L129 HydrophobicContact CG2-CG 4.3Å; V14-L129 HydrophobicContact CB-CD1 4.34Å; V14-L129 HydrophobicContact CG1-CD1 4.43Å; V14-L129 HydrophobicContact CG2-CD1 3.64Å
130L72.3Confident65.4Low43 Ų4387.5 Ų87.523%0.22544%0.443CS..EExtended strand (participates in β ladder)trans-111.9117.2174-168.169.4000109.7V13 F15 F63 L122 I124 L132V13-L130 PolarHBondContact N-O 3.14Å; V13-L130 PolarHBondContact O-N 3.49Å; V13-L130 VanDerWaalsContact O-N 3.14Å; F15-L130 HydrophobicContact CD2-CB 4.42Å; F15-L130 HydrophobicContact CE2-CB 3.78Å; F15-L130 HydrophobicContact CE2-CD2 4.34Å; F63-L130 HydrophobicContact CD1-CD2 4.28Å; F63-L130 HydrophobicContact CE1-CD2 3.6Å; L122-L130 HydrophobicContact CD1-CD2 3.92Å; I124-L130 HydrophobicContact CD1-CD1 4.38Å; I124-L130 HydrophobicContact CD1-CD2 3.98Å; L130-L132 HydrophobicContact CD2-CD2 3.41Å; L130-L132 VanDerWaalsContact CD2-CD2 3.41Å; L130-L132 HydrophobicContact CD2-CG 3.81Å; L130-L132 HydrophobicContact CG-CD2 4.03Å; L130-L132 HydrophobicContact CG-CG 4.15Å; L130-L132 PolarHBondContact O-N 3.38Å
131A64.4Low64.7Low46 Ų4685.5 Ų85.538%0.3844%0.435SS..EExtended strand (participates in β ladder)trans-84.899.916400000107.6F133A131-F133 HydrophobicContact CB-CD2 4.43Å; A131-F133 HydrophobicContact CB-CE2 4Å; A131-F133 PolarHBondContact O-N 3.32Å
132L64.9Low63.7Low19 Ų1983 Ų8310%0.09943%0.432CS..EExtended strand (participates in β ladder)trans-74.397.2171.7-70.5169.1000107.8V13 L35 F63 L122 L130 L134V13-L132 HydrophobicContact CG2-CD1 3.99Å; L35-L132 HydrophobicContact CD1-CD1 3.79Å; F63-L132 HydrophobicContact CE1-CD1 4.2Å; F63-L132 HydrophobicContact CE1-CD2 4.23Å; F63-L132 HydrophobicContact CZ-CD1 3.59Å; F63-L132 HydrophobicContact CZ-CD2 4.24Å; F63-L132 HydrophobicContact CZ-CG 4.46Å; L122-L132 HydrophobicContact CD1-CD2 4.11Å; L130-L132 HydrophobicContact CD2-CD2 3.41Å; L130-L132 VanDerWaalsContact CD2-CD2 3.41Å; L130-L132 HydrophobicContact CD2-CG 3.81Å; L130-L132 HydrophobicContact CG-CD2 4.03Å; L130-L132 HydrophobicContact CG-CG 4.15Å; L130-L132 PolarHBondContact O-N 3.38Å; L132-L134 HydrophobicContact CB-CD1 4.38Å; L132-L134 HydrophobicContact CB-CD2 4.39Å; L132-L134 HydrophobicContact CB-CG 4.05Å; L132-L134 PolarHBondContact O-N 2.85Å
133F56.6Low62.4Low149 Ų14985.4 Ų85.465%0.65445%0.445SS*.  trans-7481.9160.7-67.7-82.5000106.7A131 P135A131-F133 HydrophobicContact CB-CD2 4.43Å; A131-F133 HydrophobicContact CB-CE2 4Å; A131-F133 PolarHBondContact O-N 3.32Å; F133-P135 WeakPolarHBondContact O-CD 3.45Å
134L51.7Low61Low59 Ų5984.8 Ų84.831%0.30944%0.437SS..  trans-74.4109169.3-59.4164.3000105.5L132 F136L132-L134 HydrophobicContact CB-CD1 4.38Å; L132-L134 HydrophobicContact CB-CD2 4.39Å; L132-L134 HydrophobicContact CB-CG 4.05Å; L132-L134 PolarHBondContact O-N 2.85Å; L134-F136 HydrophobicContact CB-CD1 4.38Å; L134-F136 HydrophobicContact CB-CD2 3.28Å; L134-F136 HydrophobicContact CB-CE1 4.33Å; L134-F136 HydrophobicContact CB-CE2 3.29Å; L134-F136 HydrophobicContact CB-CG 3.87Å; L134-F136 HydrophobicContact CB-CZ 3.81Å; L134-F136 HydrophobicContact CD1-CD2 3.91Å; L134-F136 HydrophobicContact CD1-CE2 3.16Å; L134-F136 HydrophobicContact CD1-CZ 3.83Å; L134-F136 HydrophobicContact CD2-CE1 4.45Å; L134-F136 HydrophobicContact CD2-CE2 3.87Å; L134-F136 HydrophobicContact CD2-CZ 3.69Å; L134-F136 HydrophobicContact CG-CD2 4.06Å; L134-F136 HydrophobicContact CG-CE2 3.54Å; L134-F136 HydrophobicContact CG-CZ 3.93Å; L134-F136 PolarHBondContact O-N 3.37Å
135P46.7Very low59.4Low114 Ų11489.4 Ų89.474%0.7446%0.46SS*.  trans-78.465.4172.135-26.6000106.3F133 Y137F133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-Y137 PolarHBondContact O-N 2.77Å
136F47.7Very low57.7Low95 Ų9590.4 Ų90.442%0.41746%0.464SS..  trans-8078.2174.5-67.1-46.1000108.5M59 L134 W138M59-F136 HydrophobicContact CE-CD1 4.26Å; M59-F136 HydrophobicContact CE-CE1 3.71Å; M59-F136 HydrophobicContact CE-CE2 4.31Å; M59-F136 HydrophobicContact CE-CZ 3.75Å; M59-F136 HydrophobicContact CG-CE1 4.41Å; M59-F136 HydrophobicContact SD-CE1 4.28Å; L134-F136 HydrophobicContact CB-CD1 4.38Å; L134-F136 HydrophobicContact CB-CD2 3.28Å; L134-F136 HydrophobicContact CB-CE1 4.33Å; L134-F136 HydrophobicContact CB-CE2 3.29Å; L134-F136 HydrophobicContact CB-CG 3.87Å; L134-F136 HydrophobicContact CB-CZ 3.81Å; L134-F136 HydrophobicContact CD1-CD2 3.91Å; L134-F136 HydrophobicContact CD1-CE2 3.16Å; L134-F136 HydrophobicContact CD1-CZ 3.83Å; L134-F136 HydrophobicContact CD2-CE1 4.45Å; L134-F136 HydrophobicContact CD2-CE2 3.87Å; L134-F136 HydrophobicContact CD2-CZ 3.69Å; L134-F136 HydrophobicContact CG-CD2 4.06Å; L134-F136 HydrophobicContact CG-CE2 3.54Å; L134-F136 HydrophobicContact CG-CZ 3.93Å; L134-F136 PolarHBondContact O-N 3.37Å; F136-W138 AromaticContact CD1-CD1 3.74Å; F136-W138 HydrophobicContact CD1-CG 4.37Å; F136-W138 AromaticContact CD1-NE1 3.86Å; F136-W138 PolarHBondContact O-N 2.92Å
137Y39.6Very low56.5Low211 Ų21196 Ų9683%0.82749%0.492SS*.  trans-80.481.7142.9-83.1-82.5000106.4P135P135-Y137 PolarHBondContact O-N 2.77Å
138W42Very low55.3Low101 Ų10199.5 Ų99.538%0.38349%0.486SS..  trans-116105.9169.3-81.954.4000107.1L53 K57 M59 F136L53-W138 HydrophobicContact CB-CE3 4.49Å; L53-W138 HydrophobicContact CB-CZ3 3.81Å; L53-W138 HydrophobicContact CD1-CE3 3.56Å; L53-W138 HydrophobicContact CD1-CZ3 3.76Å; L53-W138 HydrophobicContact CD2-CE3 3.69Å; L53-W138 HydrophobicContact CD2-CZ3 3.36Å; L53-W138 HydrophobicContact CG-CE3 4.04Å; L53-W138 HydrophobicContact CG-CZ3 3.75Å; K57-W138 HydrophobicContact CB-CH2 3.21Å; K57-W138 HydrophobicContact CB-CZ2 4.36Å; K57-W138 HydrophobicContact CB-CZ3 3.57Å; K57-W138 HydrophobicContact CG-CH2 3.81Å; K57-W138 HydrophobicContact CG-CZ3 3.71Å; M59-W138 HydrophobicContact CB-CH2 4.05Å; M59-W138 HydrophobicContact CG-CE3 4.49Å; M59-W138 HydrophobicContact CG-CH2 3.26Å; M59-W138 HydrophobicContact CG-CZ2 3.45Å; M59-W138 VanDerWaalsContact CG-CZ2 3.45Å; M59-W138 HydrophobicContact CG-CZ3 3.88Å; M59-W138 HydrophobicContact SD-CD2 3.49Å; M59-W138 VanDerWaalsContact SD-CE2 3.58Å; M59-W138 HydrophobicContact SD-CE3 3.36Å; M59-W138 HydrophobicContact SD-CG 4.32Å; M59-W138 HydrophobicContact SD-CH2 3.24Å; M59-W138 WeakPolarHBondContact SD-CH2 3.45Å; M59-W138 HydrophobicContact SD-CZ2 3.5Å; M59-W138 WeakPolarHBondContact SD-CZ2 3.07Å; M59-W138 HydrophobicContact SD-CZ3 3.23Å; M59-W138 WeakPolarHBondContact SD-CZ3 3.48Å; F136-W138 AromaticContact CD1-CD1 3.74Å; F136-W138 HydrophobicContact CD1-CG 4.37Å; F136-W138 AromaticContact CD1-NE1 3.86Å; F136-W138 PolarHBondContact O-N 2.92Å
139F34.7Very low53.7Low202 Ų202105.4 Ų105.489%0.88650%0.504SS*.  trans-96.10156.3-79.2-83.9000108.6

Retrieved 139 of 139 residues in 102.5 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).