G4LVM9_SCHMA Loading...

Eukaryotic translation initiation factor 5

AlphaFold DB , UniProt , Accession G4LVM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M70.4Confident80.6Confident195 Ų19587.5 Ų87.596%0.96144%0.436SS*.  0131.40-69.5176.2-169.300107.8K20M1-K20 WeakPolarHBondContact O-CG 3.47Å
2A81.3Confident80.8Confident61 Ų6188.7 Ų88.750%0.50445%0.451SS..EExtended strand (participates in β ladder)trans-91.8142.817300000109.3K17 M18A2-K17 HydrophobicContact CB-CB 3.85Å; A2-K17 HydrophobicContact CB-CD 4.41Å; A2-M18 CarbonylContact C-O 3.54Å; A2-M18 WeakPolarHBondContact CA-O 3.44Å
3I85.9Confident81Confident42 Ų4295.5 Ų95.522%0.21548%0.476CS..EExtended strand (participates in β ladder)trans-105.5152.2173.2-59.1164.6000107.6K17 M18 K20I3-K17 CarbonylContact O-C 3.46Å; I3-K17 WeakPolarHBondContact O-CA 3.42Å; I3-M18 PolarHBondContact N-O 3.43Å; I3-M18 PolarHBondContact O-N 3.21Å; I3-K20 HydrophobicContact CD1-CB 4.15Å; I3-K20 HydrophobicContact CD1-CD 3.65Å; I3-K20 HydrophobicContact CD1-CG 3.46Å; I3-K20 VanDerWaalsContact CD1-CG 3.46Å; I3-K20 HydrophobicContact CG1-CD 4.07Å; I3-K20 HydrophobicContact CG1-CG 3.74Å
4N87.6Confident81.2Confident22 Ų2291.4 Ų91.412%0.11845%0.453CS..EExtended strand (participates in β ladder)trans-61.4139.5170.8-64.5-6.6000110.4N6 V9 D11 Y14N4-N6 VanDerWaalsContact C-N 3.3Å; N4-N6 PolarHBondContact O-N 3.11Å; N4-V9 PolarHBondContact ND2-O 3.42Å; N4-D11 PolarHBondContact ND2-O 2.73Å; N4-Y14 HydrophobicContact CB-CD1 3.88Å; N4-Y14 HydrophobicContact CB-CG 4.46Å
5I85.4Confident81.5Confident6 Ų698.8 Ų98.83%0.03147%0.474CS..SBendtrans-62.4-41179.6-67.3179.6000110.9Y16 M18 L46 I93 P105I5-Y16 WeakPolarHBondContact CG1-O 3.32Å; I5-Y16 PolarHBondContact N-O 3.44Å; I5-Y16 VanDerWaalsContact N-O 3.14Å; I5-M18 HydrophobicContact CG1-CB 4.08Å; I5-M18 HydrophobicContact CG1-CG 4.13Å; I5-L46 HydrophobicContact CD1-CD2 4.17Å; I5-L46 HydrophobicContact CG1-CD2 4.45Å; I5-L46 HydrophobicContact CG2-CD2 3.87Å; I5-I93 HydrophobicContact CG2-CD1 4.28Å; I5-I93 HydrophobicContact CG2-CG2 3.63Å; I5-P105 HydrophobicContact CD1-CB 4.3Å; I5-P105 HydrophobicContact CD1-CG 4.31Å; I5-P105 HydrophobicContact CG2-CB 3.95Å; I5-P105 HydrophobicContact CG2-CG 4.49Å
6N80.7Confident81.9Confident24 Ų2495.1 Ų95.113%0.12845%0.454CS..SBendtrans-94.7111.4169.1-170.5-2.4000109.6N4 E8 V9 L98N4-N6 VanDerWaalsContact C-N 3.3Å; N4-N6 PolarHBondContact O-N 3.11Å; N6-E8 PolarHBondContact O-N 3.06Å; N6-E8 WeakPolarHBondContact OD1-CB 3.49Å; N6-E8 WeakPolarHBondContact OD1-CG 3.48Å; N6-E8 PolarHBondContact OD1-N 2.98Å; N6-V9 HydrophobicContact CB-CG2 4.24Å; N6-V9 PolarHBondContact O-N 3.31Å; N6-V9 VanDerWaalsContact O-N 3.16Å; N6-L98 HydrophobicContact CB-CD1 4.23Å
7R76.6Confident82.2Confident168 Ų16895.3 Ų95.363%0.63445%0.452SS*.THydrogen-bonded Turntrans-68.9-17.7179-169.3170.2171.8-129.8-5.4113.2V9 D90R7-V9 PolarHBondContact O-N 3.47Å; R7-D90 WeakPolarHBondContact CD-OD2 3.23Å
8E78.2Confident82.7Confident131 Ų13190.1 Ų90.161%0.61243%0.427SS*.THydrogen-bonded Turntrans-69.3-19.7173.6-60.9174.6175.700112N6 K94N6-E8 PolarHBondContact O-N 3.06Å; N6-E8 WeakPolarHBondContact OD1-CB 3.49Å; N6-E8 WeakPolarHBondContact OD1-CG 3.48Å; N6-E8 PolarHBondContact OD1-N 2.98Å; E8-K94 IonicContact OE1-NZ 3.94Å; E8-K94 PolarHBondContact OE1-NZ 3.01Å
9V80.7Confident83.1Confident48 Ų4887.7 Ų87.729%0.29142%0.421SS..  trans-96.9105.6177.8-176.90000109N4 N6 R7 D11 Y14N4-V9 PolarHBondContact ND2-O 3.42Å; N6-V9 HydrophobicContact CB-CG2 4.24Å; N6-V9 PolarHBondContact O-N 3.31Å; N6-V9 VanDerWaalsContact O-N 3.16Å; R7-V9 PolarHBondContact O-N 3.47Å; V9-D11 HydrophobicContact CG1-CB 3.85Å; V9-D11 PolarHBondContact O-N 2.88Å; V9-Y14 HydrophobicContact CB-CD2 4.39Å; V9-Y14 HydrophobicContact CG1-CD2 3.77Å; V9-Y14 HydrophobicContact CG1-CE2 4.34Å; V9-Y14 HydrophobicContact CG1-CG 4.21Å; V9-Y14 HydrophobicContact CG2-CE2 4.48Å
10E76.5Confident83.3Confident184 Ų18488.4 Ų88.486%0.8642%0.421SS*.  trans-80.92.2178.6-62.1-173.9166.600113.6T12E10-T12 PolarHBondContact O-N 3.38Å
11D83.5Confident83.7Confident82 Ų8284.7 Ų84.744%0.43940%0.404SS..  trans-65.7123.3-178.5-177.79.5000112.2N4 V9 F13 Y14N4-D11 PolarHBondContact ND2-O 2.73Å; V9-D11 HydrophobicContact CG1-CB 3.85Å; V9-D11 PolarHBondContact O-N 2.88Å; D11-F13 PolarHBondContact O-N 3.07Å; D11-F13 PolarHBondContact OD1-N 3.4Å; D11-Y14 WeakPolarHBondContact O-CB 3.45Å; D11-Y14 PolarHBondContact O-N 3.12Å
12T82.9Confident84.6Confident101 Ų10178.7 Ų78.762%0.6238%0.378SS*.THydrogen-bonded Turntrans-64.6-26.1178-59.40000112.5E10 K17E10-T12 PolarHBondContact O-N 3.38Å; T12-K17 WeakPolarHBondContact O-CE 3.36Å; T12-K17 PolarHBondContact O-NZ 3.48Å
13F82.8Confident85.1Confident177 Ų17777.1 Ų77.178%0.77637%0.365SS*.THydrogen-bonded Turntrans-95.38.7-179.2-63.2-75.8000113.9D11 R15D11-F13 PolarHBondContact O-N 3.07Å; D11-F13 PolarHBondContact OD1-N 3.4Å; F13-R15 PolarHBondContact O-N 3.13Å; F13-R15 VanDerWaalsContact O-N 3.17Å
14Y84.4Confident85.3Confident38 Ų3881.6 Ų81.615%0.14938%0.383CS..  trans-53.6126.2177.4-172-109.9000111.1N4 V9 D11 Y16 K17N4-Y14 HydrophobicContact CB-CD1 3.88Å; N4-Y14 HydrophobicContact CB-CG 4.46Å; V9-Y14 HydrophobicContact CB-CD2 4.39Å; V9-Y14 HydrophobicContact CG1-CD2 3.77Å; V9-Y14 HydrophobicContact CG1-CE2 4.34Å; V9-Y14 HydrophobicContact CG1-CG 4.21Å; V9-Y14 HydrophobicContact CG2-CE2 4.48Å; D11-Y14 WeakPolarHBondContact O-CB 3.45Å; D11-Y14 PolarHBondContact O-N 3.12Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.46Å; Y14-Y16 HydrophobicContact CE1-CD2 4.19Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.44Å; Y14-Y16 AromaticContact CZ-CD2 4Å; Y14-Y16 PolarHBondContact O-N 2.74Å; Y14-K17 WeakPolarHBondContact O-CE 3.5Å
15R85.9Confident85.4Confident203 Ų20384.3 Ų84.377%0.76640%0.4SS*.SBendtrans-60.6-38.6-169.7-178.9176.6176.7175.5-3112.8F13F13-R15 PolarHBondContact O-N 3.13Å; F13-R15 VanDerWaalsContact O-N 3.17Å
16Y88.1Confident85.5Confident39 Ų3987 Ų8715%0.15341%0.413CS..  trans-101110-172.9-52.2-75.5000111.6I5 Y14 N104 P105 E106I5-Y16 WeakPolarHBondContact CG1-O 3.32Å; I5-Y16 PolarHBondContact N-O 3.44Å; I5-Y16 VanDerWaalsContact N-O 3.14Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.46Å; Y14-Y16 HydrophobicContact CE1-CD2 4.19Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.44Å; Y14-Y16 AromaticContact CZ-CD2 4Å; Y14-Y16 PolarHBondContact O-N 2.74Å; Y16-N104 WeakPolarHBondContact CE2-OD1 3.23Å; Y16-N104 PolarHBondContact OH-OD1 3.17Å; Y16-P105 HydrophobicContact CD1-CG 4.15Å; Y16-P105 HydrophobicContact CD2-CG 3.52Å; Y16-P105 HydrophobicContact CE2-CG 4.05Å; Y16-P105 HydrophobicContact CG-CG 3.56Å; Y16-E106 HydrophobicContact CE1-CG 3.79Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.36Å
17K87.3Confident85.6Confident99 Ų9988.1 Ų88.143%0.4343%0.431SS..EExtended strand (participates in β ladder)trans-120.2146.6-177.4-58.3-174.3177.1-176.80110.9A2 I3 T12 Y14A2-K17 HydrophobicContact CB-CB 3.85Å; A2-K17 HydrophobicContact CB-CD 4.41Å; I3-K17 CarbonylContact O-C 3.46Å; I3-K17 WeakPolarHBondContact O-CA 3.42Å; T12-K17 WeakPolarHBondContact O-CE 3.36Å; T12-K17 PolarHBondContact O-NZ 3.48Å; Y14-K17 WeakPolarHBondContact O-CE 3.5Å
18M89.8Confident86Confident1 Ų189.6 Ų89.61%0.00544%0.442CS..EExtended strand (participates in β ladder)trans-125.3149.9175.462.4172.9178.500111.2A2 I3 I5 A45 L89 I93A2-M18 CarbonylContact C-O 3.54Å; A2-M18 WeakPolarHBondContact CA-O 3.44Å; I3-M18 PolarHBondContact N-O 3.43Å; I3-M18 PolarHBondContact O-N 3.21Å; I5-M18 HydrophobicContact CG1-CB 4.08Å; I5-M18 HydrophobicContact CG1-CG 4.13Å; M18-A45 HydrophobicContact CB-CB 4.32Å; M18-L89 HydrophobicContact CE-CD2 4.31Å; M18-L89 HydrophobicContact SD-CD2 4.16Å; M18-I93 HydrophobicContact CE-CD1 3.64Å; M18-I93 HydrophobicContact SD-CD1 3.66Å
19P90.3Very high86.2Confident46 Ų4686.1 Ų86.130%0.29944%0.441SS..EExtended strand (participates in β ladder)trans-67.3145.9173.127.8-32.6000111.2D41 I42P19-D41 HydrophobicContact CG-CB 4.14Å; P19-I42 HydrophobicContact CG-CG1 3.92Å
20K88.7Confident86.2Confident101 Ų10192.7 Ų92.744%0.43948%0.475SS..PPolyproline II helixtrans-58.8138.4174.1-55.8-150.7171.3-178.50110.5M1 I3 T22 N38M1-K20 WeakPolarHBondContact O-CG 3.47Å; I3-K20 HydrophobicContact CD1-CB 4.15Å; I3-K20 HydrophobicContact CD1-CD 3.65Å; I3-K20 HydrophobicContact CD1-CG 3.46Å; I3-K20 VanDerWaalsContact CD1-CG 3.46Å; I3-K20 HydrophobicContact CG1-CD 4.07Å; I3-K20 HydrophobicContact CG1-CG 3.74Å; K20-T22 PolarHBondContact O-N 3.09Å; K20-N38 PolarHBondContact O-ND2 3.21Å
21L90.5Very high86.5Confident10 Ų1086.5 Ų86.55%0.05246%0.46CS..PPolyproline II helixtrans-63.6131.3175.7-174.1148.5000111A23 I36 I42 F57 L85 Q86 L89L21-A23 HydrophobicContact CD2-CB 4.08Å; L21-I36 HydrophobicContact CD1-CG2 4.25Å; L21-I36 HydrophobicContact CD2-CG2 4.44Å; L21-I36 HydrophobicContact CG-CG2 4.13Å; L21-I42 HydrophobicContact CB-CD1 4.01Å; L21-I42 HydrophobicContact CD1-CD1 4.39Å; L21-I42 HydrophobicContact CG-CD1 4.27Å; L21-F57 HydrophobicContact CD1-CE2 4.13Å; L21-F57 HydrophobicContact CD1-CZ 3.77Å; L21-L85 HydrophobicContact CD1-CB 4.07Å; L21-L85 HydrophobicContact CD2-CB 3.69Å; L21-L85 HydrophobicContact CD2-CD1 3.97Å; L21-Q86 VanDerWaalsContact CB-OE1 3.24Å; L21-L89 HydrophobicContact CD1-CD2 4.32Å
22T90Very high86.8Confident69 Ų6985.1 Ų85.142%0.42345%0.452SS..  trans-119120.1176.758.60000109.9K20 V37 N38K20-T22 PolarHBondContact O-N 3.09Å; T22-V37 PolarHBondContact O-N 3.27Å; T22-N38 PolarHBondContact N-OD1 3.19Å; T22-N38 PolarHBondContact O-OD1 3.46Å; T22-N38 PolarHBondContact OG1-OD1 3.46Å
23A90.6Very high87.2Confident28 Ų2883.9 Ų83.923%0.23144%0.438CS..EExtended strand (participates in β ladder)trans-116.8133.9-178.400000109.9L21 T34 V35 A82 L85L21-A23 HydrophobicContact CD2-CB 4.08Å; A23-T34 HydrophobicContact CB-CG2 3.62Å; A23-V35 WeakPolarHBondContact CA-O 3.34Å; A23-A82 HydrophobicContact CB-CB 4.31Å; A23-L85 HydrophobicContact CB-CD1 3.86Å
24K90.2Very high87.6Confident136 Ų13675.4 Ų75.459%0.59140%0.401SS*.EExtended strand (participates in β ladder)trans-113123.3172.2-72.2-177.4-178.2175.70108.8V35 V37K24-V35 PolarHBondContact N-O 3.24Å; K24-V35 PolarHBondContact O-N 3.46Å; K24-V37 HydrophobicContact CB-CG2 4.2Å; K24-V37 HydrophobicContact CD-CG2 3.66Å; K24-V37 HydrophobicContact CG-CG2 3.71Å
25V90Very high87.9Confident79 Ų7974.1 Ų74.148%0.47940%0.397SS..EExtended strand (participates in β ladder)trans-83.8118.9175.9-178.30000108.6I32V25-I32 HydrophobicContact CG1-CD1 3.5Å; V25-I32 VanDerWaalsContact CG1-CD1 3.5Å; V25-I32 HydrophobicContact CG1-CG1 3.44Å; V25-I32 VanDerWaalsContact CG1-CG1 3.44Å
26E87.3Confident88.2Confident62 Ų6264.5 Ų64.529%0.2936%0.361SS..EExtended strand (participates in β ladder)trans-107.6146.7173.6-66.4-167.5157.600110.8K33 V35 R73E26-K33 HydrophobicContact CB-CD 4.49Å; E26-K33 HydrophobicContact CB-CG 3.92Å; E26-K33 PolarHBondContact N-O 3.12Å; E26-K33 PolarHBondContact O-N 2.98Å; E26-K33 VanDerWaalsContact O-O 3.06Å; E26-K33 WeakPolarHBondContact OE2-CE 3.47Å; E26-V35 HydrophobicContact CB-CG2 4.33Å; E26-V35 HydrophobicContact CG-CG2 3.84Å; E26-V35 WeakPolarHBondContact OE2-CG2 3.34Å; E26-R73 IonicContact OE1-CZ 3.45Å; E26-R73 IonicContact OE1-NH1 3.27Å; E26-R73 IonicContact OE1-NH2 3.04Å; E26-R73 PolarHBondContact OE1-NH2 3.13Å; E26-R73 IonicContact OE2-CZ 3.56Å; E26-R73 IonicContact OE2-NH1 2.75Å; E26-R73 PolarHBondContact OE2-NH1 3.23Å; E26-R73 IonicContact OE2-NH2 3.9Å; E26-R73 PolarHBondContact OE2-NH2 3.45Å
27G84.3Confident88.2Confident49 Ų4966.1 Ų66.151%0.50538%0.375SS..  trans88.9169.9179.600000113.9
28K83.7Confident88.4Confident199 Ų19962.1 Ų62.187%0.86536%0.358SS*.SBendtrans-141.2148.6178.4-63.8-175.2-179.2-176.80108.6
29G83Confident88.4Confident58 Ų5862.1 Ų62.160%0.59836%0.358SS*.G310 helixtrans70.1-142.8-178.500000113G31 I32G29-G31 PolarHBondContact O-N 3.15Å; G29-G31 VanDerWaalsContact O-N 3.11Å; G29-I32 PolarHBondContact O-N 3.48Å
30N81.2Confident88.3Confident186 Ų18660.5 Ų60.5100%0.99535%0.347SS*.G310 helixtrans-66.9-11.5-175.4-65.5-2000114.3
31G82.6Confident88.4Confident54 Ų5459.8 Ų59.856%0.55735%0.349SS*.G310 helixtrans-10122.2178.300000114.3G29G29-G31 PolarHBondContact O-N 3.15Å; G29-G31 VanDerWaalsContact O-N 3.11Å
32I89.4Confident88.5Confident53 Ų5359.3 Ų59.327%0.27235%0.346SS..  trans-68.6129.9178.3-168.1154.2000110.8V25 G29 G78 A79V25-I32 HydrophobicContact CG1-CD1 3.5Å; V25-I32 VanDerWaalsContact CG1-CD1 3.5Å; V25-I32 HydrophobicContact CG1-CG1 3.44Å; V25-I32 VanDerWaalsContact CG1-CG1 3.44Å; G29-I32 PolarHBondContact O-N 3.48Å; I32-G78 WeakPolarHBondContact O-CA 3.45Å; I32-G78 PolarHBondContact O-N 3.04Å; I32-A79 HydrophobicContact CD1-CB 3.53Å; I32-A79 HydrophobicContact CG1-CB 3.92Å; I32-A79 HydrophobicContact CG2-CB 4.11Å
33K91Very high88.5Confident74 Ų7456.1 Ų56.132%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-138.1135.9-17969.7-161.7177.2-166.20109.8E26 I75 V76E26-K33 HydrophobicContact CB-CD 4.49Å; E26-K33 HydrophobicContact CB-CG 3.92Å; E26-K33 PolarHBondContact N-O 3.12Å; E26-K33 PolarHBondContact O-N 2.98Å; E26-K33 VanDerWaalsContact O-O 3.06Å; E26-K33 WeakPolarHBondContact OE2-CE 3.47Å; K33-I75 HydrophobicContact CB-CG2 3.65Å; K33-I75 HydrophobicContact CD-CG2 3.89Å; K33-I75 HydrophobicContact CG-CG2 3.79Å; K33-V76 CarbonylContact C-O 3.53Å
34T91.5Very high88.4Confident0 Ų061.3 Ų61.30%034%0.344CS..EExtended strand (participates in β ladder)trans-95.3119.6175.1-64.30000109.4A23 V76 G78 H80 L85A23-T34 HydrophobicContact CB-CG2 3.62Å; T34-V76 PolarHBondContact N-O 2.88Å; T34-V76 PolarHBondContact O-N 2.71Å; T34-G78 PolarHBondContact N-O 3.09Å; T34-G78 PolarHBondContact OG1-O 2.77Å; T34-G78 VanDerWaalsContact OG1-O 3.13Å; T34-H80 PolarHBondContact OG1-N 3.34Å; T34-H80 VanDerWaalsContact OG1-N 3.08Å; T34-H80 PolarHBondContact OG1-O 2.97Å; T34-L85 HydrophobicContact CG2-CD1 3.96Å
35V91.2Very high88.3Confident10 Ų1056.4 Ų56.46%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-94.8123.3173.6-174.10000108.9A23 K24 E26 R73 Y74 I75A23-V35 WeakPolarHBondContact CA-O 3.34Å; K24-V35 PolarHBondContact N-O 3.24Å; K24-V35 PolarHBondContact O-N 3.46Å; E26-V35 HydrophobicContact CB-CG2 4.33Å; E26-V35 HydrophobicContact CG-CG2 3.84Å; E26-V35 WeakPolarHBondContact OE2-CG2 3.34Å; V35-R73 HydrophobicContact CG1-CG 4.08Å; V35-Y74 WeakPolarHBondContact CA-O 3.48Å; V35-I75 HydrophobicContact CG2-CG1 4.14Å; V35-I75 HydrophobicContact CG2-CG2 4.4Å
36I90.8Very high88.3Confident2 Ų252.7 Ų52.71%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-91.6111.8177.4-51.4175.3000107.5L21 V39 F57 Y74 V76 L85L21-I36 HydrophobicContact CD1-CG2 4.25Å; L21-I36 HydrophobicContact CD2-CG2 4.44Å; L21-I36 HydrophobicContact CG-CG2 4.13Å; I36-V39 HydrophobicContact CB-CB 4.32Å; I36-V39 HydrophobicContact CG2-CB 3.84Å; I36-F57 HydrophobicContact CD1-CD2 3.51Å; I36-F57 HydrophobicContact CD1-CE2 3.54Å; I36-Y74 PolarHBondContact N-O 3.45Å; I36-V76 HydrophobicContact CD1-CG2 4.19Å; I36-L85 HydrophobicContact CD1-CD1 4.47Å; I36-L85 HydrophobicContact CG1-CD1 4.42Å
37V89.7Confident88.2Confident73 Ų7356.8 Ų56.844%0.44232%0.32SS..SBendtrans-78.4-37-168.4-176.70000111.8T22 K24T22-V37 PolarHBondContact O-N 3.27Å; K24-V37 HydrophobicContact CB-CG2 4.2Å; K24-V37 HydrophobicContact CD-CG2 3.66Å; K24-V37 HydrophobicContact CG-CG2 3.71Å
38N90.2Very high88.3Confident15 Ų1555.8 Ų55.88%0.0830%0.301CS..SBendtrans-111.625.3-170.368.9-39.8000114K20 T22 S40 D41 I42K20-N38 PolarHBondContact O-ND2 3.21Å; T22-N38 PolarHBondContact N-OD1 3.19Å; T22-N38 PolarHBondContact O-OD1 3.46Å; T22-N38 PolarHBondContact OG1-OD1 3.46Å; N38-S40 VanDerWaalsContact C-N 3.31Å; N38-S40 PolarHBondContact O-N 3.03Å; N38-D41 PolarHBondContact O-N 3.12Å; N38-I42 WeakPolarHBondContact O-CG1 3.5Å; N38-I42 PolarHBondContact O-N 2.99Å
39V90.1Very high88.5Confident1 Ų149.5 Ų49.51%0.00627%0.274CS..Hα-helixtrans-65.9-33.8-179.666.90000112.2I36 D41 I42 A43 P50 L53 Y74I36-V39 HydrophobicContact CB-CB 4.32Å; I36-V39 HydrophobicContact CG2-CB 3.84Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.3Å; V39-I42 PolarHBondContact O-N 3.45Å; V39-A43 WeakPolarHBondContact O-CB 3.46Å; V39-A43 PolarHBondContact O-N 3.4Å; V39-P50 HydrophobicContact CG1-CB 4.48Å; V39-P50 HydrophobicContact CG2-CB 4.27Å; V39-L53 HydrophobicContact CG2-CB 4.35Å; V39-L53 HydrophobicContact CG2-CD2 3.81Å; V39-L53 HydrophobicContact CG2-CG 4.21Å; V39-Y74 HydrophobicContact CB-CD2 4.4Å; V39-Y74 HydrophobicContact CG1-CD1 4.31Å; V39-Y74 HydrophobicContact CG1-CD2 2.96Å; V39-Y74 HydrophobicContact CG1-CE2 3.47Å; V39-Y74 VanDerWaalsContact CG1-CE2 3.47Å; V39-Y74 HydrophobicContact CG1-CG 3.45Å; V39-Y74 VanDerWaalsContact CG1-CG 3.45Å
40S89.6Confident88.8Confident11 Ų1148.1 Ų48.18%0.07725%0.254CS..Hα-helixtrans-59.5-41.4175.5-58.80000111.8N38 A43 K44 E72N38-S40 VanDerWaalsContact C-N 3.31Å; N38-S40 PolarHBondContact O-N 3.03Å; S40-A43 PolarHBondContact O-N 3.3Å; S40-K44 VanDerWaalsContact O-CG 3.28Å; S40-K44 WeakPolarHBondContact O-CG 3.47Å; S40-K44 PolarHBondContact O-N 3.15Å; S40-E72 WeakPolarHBondContact CB-OE2 3.33Å; S40-E72 PolarHBondContact OG-OE2 3.14Å
41D90.6Very high89.2Confident87 Ų8741 Ų4147%0.46522%0.216SC..Hα-helixtrans-73.3-40-178.3-60.9-36.1000112P19 N38 V39 A43 K44 A45P19-D41 HydrophobicContact CG-CB 4.14Å; N38-D41 PolarHBondContact O-N 3.12Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.3Å; D41-A43 VanDerWaalsContact C-N 3.33Å; D41-K44 PolarHBondContact O-N 3.35Å; D41-A45 PolarHBondContact O-N 3.33Å; D41-A45 VanDerWaalsContact O-N 3.07Å
42I90.8Very high89.6Confident0 Ų038.6 Ų38.60%019%0.19CC..Hα-helixtrans-63.3-43.8173.7-63.1167.6000109.9P19 L21 N38 V39 K44 A45 L46 L53 L89P19-I42 HydrophobicContact CG-CG1 3.92Å; L21-I42 HydrophobicContact CB-CD1 4.01Å; L21-I42 HydrophobicContact CD1-CD1 4.39Å; L21-I42 HydrophobicContact CG-CD1 4.27Å; N38-I42 WeakPolarHBondContact O-CG1 3.5Å; N38-I42 PolarHBondContact O-N 2.99Å; V39-I42 PolarHBondContact O-N 3.45Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 3.29Å; I42-A45 PolarHBondContact O-N 3.42Å; I42-A45 VanDerWaalsContact O-N 3.16Å; I42-L46 HydrophobicContact CG2-CD1 3.79Å; I42-L46 HydrophobicContact CG2-CG 4.37Å; I42-L46 WeakPolarHBondContact O-CG 3.48Å; I42-L46 PolarHBondContact O-N 3.28Å; I42-L53 HydrophobicContact CB-CD2 4.48Å; I42-L53 HydrophobicContact CG2-CD2 3.93Å; I42-L89 HydrophobicContact CD1-CD2 4.32Å; I42-L89 HydrophobicContact CG2-CD1 4.23Å; I42-L89 HydrophobicContact CG2-CD2 4.08Å
43A90.4Very high89.6Confident2 Ų236.3 Ų36.32%0.01718%0.178CC..Hα-helixtrans-62.2-40.8179.800000112.2V39 S40 D41 L46 Y47 R48 P50V39-A43 WeakPolarHBondContact O-CB 3.46Å; V39-A43 PolarHBondContact O-N 3.4Å; S40-A43 PolarHBondContact O-N 3.3Å; D41-A43 VanDerWaalsContact C-N 3.33Å; A43-L46 PolarHBondContact O-N 3.32Å; A43-Y47 PolarHBondContact O-N 3.24Å; A43-Y47 VanDerWaalsContact O-N 3.13Å; A43-R48 CarbonylContact C-O 3.57Å; A43-R48 WeakPolarHBondContact CB-O 3.34Å; A43-R48 PolarHBondContact O-N 3.06Å; A43-R48 VanDerWaalsContact O-O 3.06Å; A43-P50 HydrophobicContact CB-CB 3.74Å; A43-P50 HydrophobicContact CB-CG 4.38Å
44K88.2Confident89.6Confident136 Ų13632.8 Ų32.859%0.59116%0.163SC*.Hα-helixtrans-61.1-43.6172.2-73.4168.7-172.8168.70111.9S40 D41 I42 L46 Y47S40-K44 VanDerWaalsContact O-CG 3.28Å; S40-K44 WeakPolarHBondContact O-CG 3.47Å; S40-K44 PolarHBondContact O-N 3.15Å; D41-K44 PolarHBondContact O-N 3.35Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 3.29Å; K44-L46 VanDerWaalsContact C-N 3.28Å; K44-L46 PolarHBondContact O-N 3.49Å; K44-Y47 PolarHBondContact O-N 2.79Å
45A89.4Confident89.5Confident33 Ų3335.9 Ų35.927%0.27318%0.176SC..Hα-helixtrans-64.8-30.617800000113.3M18 D41 I42M18-A45 HydrophobicContact CB-CB 4.32Å; D41-A45 PolarHBondContact O-N 3.33Å; D41-A45 VanDerWaalsContact O-N 3.07Å; I42-A45 PolarHBondContact O-N 3.42Å; I42-A45 VanDerWaalsContact O-N 3.16Å
46L88.7Confident89.6Confident2 Ų235.5 Ų35.51%0.0117%0.174CC..THydrogen-bonded Turntrans-90.2-1.9179.1-61.1173.2000113.6I5 I42 A43 K44 R48 L89 F92 I93 V97I5-L46 HydrophobicContact CD1-CD2 4.17Å; I5-L46 HydrophobicContact CG1-CD2 4.45Å; I5-L46 HydrophobicContact CG2-CD2 3.87Å; I42-L46 HydrophobicContact CG2-CD1 3.79Å; I42-L46 HydrophobicContact CG2-CG 4.37Å; I42-L46 WeakPolarHBondContact O-CG 3.48Å; I42-L46 PolarHBondContact O-N 3.28Å; A43-L46 PolarHBondContact O-N 3.32Å; K44-L46 VanDerWaalsContact C-N 3.28Å; K44-L46 PolarHBondContact O-N 3.49Å; L46-R48 VanDerWaalsContact C-N 3.3Å; L46-R48 HydrophobicContact CB-CG 4.36Å; L46-R48 PolarHBondContact O-N 3.23Å; L46-L89 HydrophobicContact CD1-CD1 4.25Å; L46-F92 HydrophobicContact CD1-CE1 4.39Å; L46-I93 HydrophobicContact CD1-CG1 4.19Å; L46-I93 HydrophobicContact CD2-CD1 4.17Å; L46-I93 HydrophobicContact CD2-CG1 4Å; L46-V97 HydrophobicContact CD2-CG1 4.12Å; L46-V97 HydrophobicContact CD2-CG2 4.48Å
47Y86.5Confident89.6Confident147 Ų14735.4 Ų35.458%0.57617%0.173SC*.THydrogen-bonded Turntrans52.745-171.6-58.8-82.9000113A43 K44 E106A43-Y47 PolarHBondContact O-N 3.24Å; A43-Y47 VanDerWaalsContact O-N 3.13Å; K44-Y47 PolarHBondContact O-N 2.79Å; Y47-E106 HydrophobicContact CE2-CG 4.46Å
48R85.9Confident89.7Confident29 Ų2932.3 Ų32.311%0.10916%0.157CC..SBendtrans-132.6156.1178.9-64.9-63.5-177.4-116.72111A43 L46 F96 T107 M109A43-R48 CarbonylContact C-O 3.57Å; A43-R48 WeakPolarHBondContact CB-O 3.34Å; A43-R48 PolarHBondContact O-N 3.06Å; A43-R48 VanDerWaalsContact O-O 3.06Å; L46-R48 VanDerWaalsContact C-N 3.3Å; L46-R48 HydrophobicContact CB-CG 4.36Å; L46-R48 PolarHBondContact O-N 3.23Å; R48-F96 PolarHBondContact NH2-O 2.95Å; R48-T107 PolarHBondContact NH1-O 3.47Å; R48-T107 PolarHBondContact NH2-O 3.3Å; R48-T107 VanDerWaalsContact NH2-O 3.16Å; R48-T107 PolarHBondContact NH2-OG1 3.14Å; R48-M109 PolarHBondContact NE-SD 2.92Å; R48-M109 VanDerWaalsContact NH2-CG 3.34Å
49K87.1Confident89.7Confident67 Ų6733.2 Ų33.229%0.29116%0.164SC..  trans-70.6137.3171.4-70.4-167.7173.3-166.80109.9I51 Y52 E147K49-I51 HydrophobicContact CB-CG2 3.91Å; K49-I51 PolarHBondContact O-N 3.46Å; K49-I51 VanDerWaalsContact O-N 3.11Å; K49-Y52 HydrophobicContact CB-CD2 4.18Å; K49-Y52 HydrophobicContact CB-CE2 4.15Å; K49-Y52 PolarHBondContact O-N 3.06Å; K49-E147 IonicContact NZ-OE2 2.66Å; K49-E147 PolarHBondContact NZ-OE2 3.44Å
50P89Confident89.6Confident29 Ų2936.9 Ų36.919%0.18818%0.181CC..Hα-helixtrans-60.6-23-18024.4-36.3000113.6V39 A43 Y52 L53 T54 Y74V39-P50 HydrophobicContact CG1-CB 4.48Å; V39-P50 HydrophobicContact CG2-CB 4.27Å; A43-P50 HydrophobicContact CB-CB 3.74Å; A43-P50 HydrophobicContact CB-CG 4.38Å; P50-Y52 VanDerWaalsContact C-N 3.3Å; P50-Y52 PolarHBondContact O-N 3.11Å; P50-L53 PolarHBondContact O-N 3.14Å; P50-T54 PolarHBondContact O-N 3.18Å; P50-T54 VanDerWaalsContact O-N 3.12Å; P50-T54 PolarHBondContact O-OG1 3.29Å; P50-T54 VanDerWaalsContact O-OG1 3.05Å; P50-Y74 HydrophobicContact CB-CE1 3.85Å; P50-Y74 HydrophobicContact CB-CE2 4.11Å; P50-Y74 WeakPolarHBondContact CB-OH 3.44Å; P50-Y74 HydrophobicContact CG-CE1 4.12Å; P50-Y74 HydrophobicContact CG-CE2 4.4Å; P50-Y74 WeakPolarHBondContact CG-OH 3.45Å
51I90.2Very high89.7Confident35 Ų3538 Ų3818%0.17919%0.186CC..Hα-helixtrans-62.2-34.6174.8-159.6157.2000112.8K49 K55 V67 Y140K49-I51 HydrophobicContact CB-CG2 3.91Å; K49-I51 PolarHBondContact O-N 3.46Å; K49-I51 VanDerWaalsContact O-N 3.11Å; I51-K55 VanDerWaalsContact O-CB 3.26Å; I51-K55 WeakPolarHBondContact O-CB 3.41Å; I51-K55 PolarHBondContact O-N 2.88Å; I51-V67 HydrophobicContact CD1-CG1 4.03Å; I51-V67 HydrophobicContact CG1-CG1 4.17Å; I51-V67 HydrophobicContact CG1-CG2 4.33Å; I51-Y140 WeakPolarHBondContact CD1-OH 3.27Å; I51-Y140 HydrophobicContact CG1-CE1 4.2Å; I51-Y140 WeakPolarHBondContact CG1-OH 3.4Å; I51-Y140 HydrophobicContact CG2-CE1 4.38Å
52Y90.4Very high89.6Confident5 Ų537.4 Ų37.42%0.0220%0.2CC..Hα-helixtrans-68.5-41.8179.7-61.2-30.8000111.5K49 P50 K55 F56 L137 Y140 I141 N144 P146K49-Y52 HydrophobicContact CB-CD2 4.18Å; K49-Y52 HydrophobicContact CB-CE2 4.15Å; K49-Y52 PolarHBondContact O-N 3.06Å; P50-Y52 VanDerWaalsContact C-N 3.3Å; P50-Y52 PolarHBondContact O-N 3.11Å; Y52-K55 PolarHBondContact O-N 3.11Å; Y52-F56 WeakPolarHBondContact O-CB 3.44Å; Y52-F56 PolarHBondContact O-N 3.47Å; Y52-L137 WeakPolarHBondContact O-CD1 3.5Å; Y52-Y140 HydrophobicContact CD1-CD1 4.19Å; Y52-Y140 HydrophobicContact CD1-CE1 4.21Å; Y52-Y140 HydrophobicContact CE1-CD1 4.35Å; Y52-Y140 HydrophobicContact CE1-CE1 4.3Å; Y52-I141 HydrophobicContact CD1-CG1 3.89Å; Y52-I141 HydrophobicContact CE1-CG1 3.79Å; Y52-I141 HydrophobicContact CG-CG1 4.39Å; Y52-N144 PolarHBondContact OH-O 3.14Å; Y52-P146 WeakPolarHBondContact OH-CA 3.4Å; Y52-P146 WeakPolarHBondContact OH-CD 3.42Å; Y52-P146 VanDerWaalsContact OH-N 3.13Å
53L90.8Very high89.4Confident4 Ų438.4 Ų38.42%0.02121%0.208CC..Hα-helixtrans-65.5-44.7177.9-179.653.2000111.2V39 I42 P50 K55 F56 F57 L89 F92V39-L53 HydrophobicContact CG2-CB 4.35Å; V39-L53 HydrophobicContact CG2-CD2 3.81Å; V39-L53 HydrophobicContact CG2-CG 4.21Å; I42-L53 HydrophobicContact CB-CD2 4.48Å; I42-L53 HydrophobicContact CG2-CD2 3.93Å; P50-L53 PolarHBondContact O-N 3.14Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.38Å; L53-F56 WeakPolarHBondContact O-CB 3.2Å; L53-F56 PolarHBondContact O-N 3.17Å; L53-F57 HydrophobicContact CD1-CD2 4.34Å; L53-F57 HydrophobicContact CD1-CE1 4.17Å; L53-F57 HydrophobicContact CD1-CE2 3.63Å; L53-F57 HydrophobicContact CD1-CZ 3.54Å; L53-F57 HydrophobicContact CD2-CE2 4.27Å; L53-F57 HydrophobicContact CG-CD2 4.29Å; L53-F57 HydrophobicContact CG-CE2 3.59Å; L53-F57 HydrophobicContact CG-CZ 4Å; L53-F57 VanDerWaalsContact O-CD2 3.28Å; L53-F57 WeakPolarHBondContact O-CD2 3.48Å; L53-F57 PolarHBondContact O-N 3.42Å; L53-F57 VanDerWaalsContact O-N 3.11Å; L53-L89 HydrophobicContact CD1-CD1 3.42Å; L53-L89 VanDerWaalsContact CD1-CD1 3.42Å; L53-L89 HydrophobicContact CD2-CD1 3.79Å; L53-L89 HydrophobicContact CG-CD1 4.27Å; L53-F92 HydrophobicContact CD1-CD1 3.96Å; L53-F92 HydrophobicContact CD1-CE1 4.43Å; L53-F92 HydrophobicContact CD1-CG 4.22Å
54T90.2Very high89.4Confident0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-63.7-39.8177.2-51.10000111.5P50 F57 G58 I65 V67 Y74 V76P50-T54 PolarHBondContact O-N 3.18Å; P50-T54 VanDerWaalsContact O-N 3.12Å; P50-T54 PolarHBondContact O-OG1 3.29Å; P50-T54 VanDerWaalsContact O-OG1 3.05Å; T54-F57 PolarHBondContact O-N 2.66Å; T54-G58 PolarHBondContact O-N 3.35Å; T54-G58 VanDerWaalsContact O-N 3.13Å; T54-I65 HydrophobicContact CG2-CB 4.15Å; T54-I65 HydrophobicContact CG2-CD1 4.33Å; T54-I65 HydrophobicContact CG2-CG2 4.28Å; T54-V67 HydrophobicContact CG2-CG2 4.04Å; T54-Y74 HydrophobicContact CG2-CD1 4.24Å; T54-Y74 WeakPolarHBondContact OG1-CD1 3.4Å; T54-V76 HydrophobicContact CG2-CG2 4.39Å
55K90.5Very high89.5Confident66 Ų6641.3 Ų41.329%0.28722%0.224SC..Hα-helixtrans-65.7-37.8176.2-17164171.3-178.30112.6I51 Y52 L53 G58 C59 I65 L137 Y140I51-K55 VanDerWaalsContact O-CB 3.26Å; I51-K55 WeakPolarHBondContact O-CB 3.41Å; I51-K55 PolarHBondContact O-N 2.88Å; Y52-K55 PolarHBondContact O-N 3.11Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.38Å; K55-G58 PolarHBondContact O-N 2.92Å; K55-C59 PolarHBondContact O-N 2.92Å; K55-C59 VanDerWaalsContact O-N 3.07Å; K55-C59 PolarHBondContact O-SG 3.1Å; K55-C59 VanDerWaalsContact O-SG 3.34Å; K55-I65 HydrophobicContact CB-CD1 4.11Å; K55-I65 HydrophobicContact CD-CD1 3.54Å; K55-I65 HydrophobicContact CG-CD1 4.46Å; K55-L137 HydrophobicContact CB-CD1 3.72Å; K55-L137 HydrophobicContact CG-CD1 3.77Å; K55-Y140 HydrophobicContact CB-CD1 4.45Å; K55-Y140 HydrophobicContact CD-CD2 4.24Å; K55-Y140 HydrophobicContact CD-CE2 4.5Å; K55-Y140 HydrophobicContact CD-CG 4.41Å; K55-Y140 HydrophobicContact CG-CD1 4.07Å; K55-Y140 HydrophobicContact CG-CD2 4.23Å; K55-Y140 HydrophobicContact CG-CG 3.9Å
56F92.3Very high89.5Confident1 Ų145 Ų450%0.00424%0.236CC..Hα-helixtrans-59.2-48.7174.2-175-98.8000111.5Y52 L53 G58 C59 E60 L88 F92 F96 H135 L137Y52-F56 WeakPolarHBondContact O-CB 3.44Å; Y52-F56 PolarHBondContact O-N 3.47Å; L53-F56 WeakPolarHBondContact O-CB 3.2Å; L53-F56 PolarHBondContact O-N 3.17Å; F56-G58 VanDerWaalsContact C-N 3.3Å; F56-G58 PolarHBondContact O-N 3.29Å; F56-C59 PolarHBondContact O-N 3.13Å; F56-C59 VanDerWaalsContact O-N 3.1Å; F56-E60 HydrophobicContact CD1-CG 4.09Å; F56-E60 HydrophobicContact CD2-CG 4.42Å; F56-E60 HydrophobicContact CE1-CG 3.55Å; F56-E60 HydrophobicContact CE2-CG 3.91Å; F56-E60 WeakPolarHBondContact CE2-OE1 3.44Å; F56-E60 HydrophobicContact CZ-CG 3.46Å; F56-E60 VanDerWaalsContact CZ-CG 3.46Å; F56-E60 VanDerWaalsContact CZ-OE1 3.3Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.47Å; F56-E60 PolarHBondContact O-N 3.08Å; F56-L88 VanDerWaalsContact CE1-O 3.23Å; F56-L88 WeakPolarHBondContact CE1-O 3.5Å; F56-F92 HydrophobicContact CB-CD2 3.89Å; F56-F92 HydrophobicContact CB-CE2 4.41Å; F56-F92 HydrophobicContact CD1-CB 3.63Å; F56-F92 HydrophobicContact CD1-CD2 4.1Å; F56-F92 HydrophobicContact CD1-CG 4.2Å; F56-F92 HydrophobicContact CD2-CB 4.45Å; F56-F92 AromaticContact CD2-CD2 3.74Å; F56-F92 HydrophobicContact CD2-CD2 3.74Å; F56-F92 HydrophobicContact CE1-CB 3.64Å; F56-F92 HydrophobicContact CE2-CB 4.48Å; F56-F92 HydrophobicContact CE2-CD2 4.33Å; F56-F92 HydrophobicContact CG-CB 4.04Å; F56-F92 AromaticContact CG-CD2 3.61Å; F56-F92 HydrophobicContact CG-CD2 3.61Å; F56-F92 HydrophobicContact CG-CG 4.17Å; F56-F92 HydrophobicContact CZ-CB 4.08Å; F56-F96 HydrophobicContact CD2-CD2 4.4Å; F56-F96 AromaticContact CD2-CE2 3.9Å; F56-F96 HydrophobicContact CD2-CE2 3.9Å; F56-F96 HydrophobicContact CE2-CD2 4.32Å; F56-F96 AromaticContact CE2-CE2 3.72Å; F56-F96 HydrophobicContact CE2-CE2 3.72Å; F56-H135 AromaticContact CD2-CE1 3.61Å; F56-H135 AromaticContact CE2-CE1 3.6Å; F56-H135 AromaticContact CE2-NE2 3.73Å; F56-L137 HydrophobicContact CB-CD2 4.09Å; F56-L137 HydrophobicContact CD2-CD2 4.03Å
57F91.8Very high89.4Confident0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-59.2-40.5176.5-65-45.2000112.8L21 I36 L53 T54 C59 L61 V76 L85 L88 L89L21-F57 HydrophobicContact CD1-CE2 4.13Å; L21-F57 HydrophobicContact CD1-CZ 3.77Å; I36-F57 HydrophobicContact CD1-CD2 3.51Å; I36-F57 HydrophobicContact CD1-CE2 3.54Å; L53-F57 HydrophobicContact CD1-CD2 4.34Å; L53-F57 HydrophobicContact CD1-CE1 4.17Å; L53-F57 HydrophobicContact CD1-CE2 3.63Å; L53-F57 HydrophobicContact CD1-CZ 3.54Å; L53-F57 HydrophobicContact CD2-CE2 4.27Å; L53-F57 HydrophobicContact CG-CD2 4.29Å; L53-F57 HydrophobicContact CG-CE2 3.59Å; L53-F57 HydrophobicContact CG-CZ 4Å; L53-F57 VanDerWaalsContact O-CD2 3.28Å; L53-F57 WeakPolarHBondContact O-CD2 3.48Å; L53-F57 PolarHBondContact O-N 3.42Å; L53-F57 VanDerWaalsContact O-N 3.11Å; T54-F57 PolarHBondContact O-N 2.66Å; F57-C59 VanDerWaalsContact C-N 3.33Å; F57-C59 PolarHBondContact O-N 3.41Å; F57-L61 HydrophobicContact CB-CD1 4.36Å; F57-L61 VanDerWaalsContact O-CB 3.22Å; F57-L61 WeakPolarHBondContact O-CB 3.45Å; F57-L61 WeakPolarHBondContact O-CG 3.32Å; F57-L61 PolarHBondContact O-N 3.16Å; F57-V76 HydrophobicContact CB-CG2 4.31Å; F57-L85 HydrophobicContact CD1-CD2 4Å; F57-L85 HydrophobicContact CE1-CD2 4.25Å; F57-L85 WeakPolarHBondContact CE1-O 3.31Å; F57-L85 HydrophobicContact CG-CD2 4.16Å; F57-L88 HydrophobicContact CD1-CB 3.94Å; F57-L88 HydrophobicContact CD1-CD1 4.33Å; F57-L88 HydrophobicContact CE1-CB 3.84Å; F57-L89 HydrophobicContact CE1-CB 4.25Å; F57-L89 HydrophobicContact CZ-CB 4.1Å
58G91Very high89.3Confident9 Ų942.2 Ų42.29%0.09323%0.232CC..Hα-helixtrans-61.5-39.2175.500000113.3T54 K55 F56 G62 A63T54-G58 PolarHBondContact O-N 3.35Å; T54-G58 VanDerWaalsContact O-N 3.13Å; K55-G58 PolarHBondContact O-N 2.92Å; F56-G58 VanDerWaalsContact C-N 3.3Å; F56-G58 PolarHBondContact O-N 3.29Å; G58-G62 CarbonylContact O-C 3.6Å; G58-G62 WeakPolarHBondContact O-CA 3.34Å; G58-G62 PolarHBondContact O-N 2.97Å; G58-G62 VanDerWaalsContact O-N 3.13Å; G58-A63 VanDerWaalsContact CA-O 3.28Å; G58-A63 WeakPolarHBondContact CA-O 3.43Å; G58-A63 PolarHBondContact O-N 3.29Å
59C89.5Confident89.1Confident34 Ų3447.5 Ų47.523%0.2326%0.259CS..Hα-helixtrans-69-47.1178.2-68.80000112.3K55 F56 F57 G62K55-C59 PolarHBondContact O-N 2.92Å; K55-C59 VanDerWaalsContact O-N 3.07Å; K55-C59 PolarHBondContact O-SG 3.1Å; K55-C59 VanDerWaalsContact O-SG 3.34Å; F56-C59 PolarHBondContact O-N 3.13Å; F56-C59 VanDerWaalsContact O-N 3.1Å; F57-C59 VanDerWaalsContact C-N 3.33Å; F57-C59 PolarHBondContact O-N 3.41Å; C59-G62 PolarHBondContact O-N 3.4Å
60E89.9Confident88.8Confident78 Ų7853.6 Ų53.636%0.36429%0.285SS..Hα-helixtrans-72.7-37-176.9-68.9-69.8170.500112.7F56 G62 L88 H135F56-E60 HydrophobicContact CD1-CG 4.09Å; F56-E60 HydrophobicContact CD2-CG 4.42Å; F56-E60 HydrophobicContact CE1-CG 3.55Å; F56-E60 HydrophobicContact CE2-CG 3.91Å; F56-E60 WeakPolarHBondContact CE2-OE1 3.44Å; F56-E60 HydrophobicContact CZ-CG 3.46Å; F56-E60 VanDerWaalsContact CZ-CG 3.46Å; F56-E60 VanDerWaalsContact CZ-OE1 3.3Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.47Å; F56-E60 PolarHBondContact O-N 3.08Å; E60-G62 VanDerWaalsContact C-N 3.32Å; E60-L88 HydrophobicContact CB-CD1 4.28Å; E60-L88 HydrophobicContact CB-CD2 3.83Å; E60-L88 HydrophobicContact CG-CD2 4.21Å; E60-H135 IonicContact OE1-NE2 3.78Å; E60-H135 PolarHBondContact OE1-NE2 3.47Å
61L89.9Confident88.4Confident34 Ų3457.9 Ų57.918%0.17831%0.307CS..Hα-helixtrans-84.6-8.3178.5-64.8167.2000113F57 A63 V76 L85 L88F57-L61 HydrophobicContact CB-CD1 4.36Å; F57-L61 VanDerWaalsContact O-CB 3.22Å; F57-L61 WeakPolarHBondContact O-CB 3.45Å; F57-L61 WeakPolarHBondContact O-CG 3.32Å; F57-L61 PolarHBondContact O-N 3.16Å; L61-A63 HydrophobicContact CB-CB 4.11Å; L61-A63 PolarHBondContact O-N 2.97Å; L61-V76 HydrophobicContact CD1-CG1 4.15Å; L61-L85 HydrophobicContact CD1-CD2 3.85Å; L61-L88 HydrophobicContact CD1-CD1 4.02Å; L61-L88 HydrophobicContact CD2-CD1 3.55Å; L61-L88 HydrophobicContact CG-CD1 3.61Å
62G88.4Confident88Confident75 Ų7561.4 Ų61.477%0.77332%0.322SS*.THydrogen-bonded Turntrans6224.8-170.800000113.1G58 C59 E60G58-G62 CarbonylContact O-C 3.6Å; G58-G62 WeakPolarHBondContact O-CA 3.34Å; G58-G62 PolarHBondContact O-N 2.97Å; G58-G62 VanDerWaalsContact O-N 3.13Å; C59-G62 PolarHBondContact O-N 3.4Å; E60-G62 VanDerWaalsContact C-N 3.32Å
63A88.5Confident87.8Confident20 Ų2065.2 Ų65.217%0.16534%0.337CS..  trans-101.3144.8-174.100000111.9G58 L61 V76 N77G58-A63 VanDerWaalsContact CA-O 3.28Å; G58-A63 WeakPolarHBondContact CA-O 3.43Å; G58-A63 PolarHBondContact O-N 3.29Å; L61-A63 HydrophobicContact CB-CB 4.11Å; L61-A63 PolarHBondContact O-N 2.97Å; A63-V76 HydrophobicContact CB-CG1 3.79Å; A63-N77 VanDerWaalsContact CB-O 3.27Å; A63-N77 WeakPolarHBondContact CB-O 3.46Å
64Q89Confident87.8Confident154 Ų15465.4 Ų65.472%0.7234%0.337SS*.  trans-69.3142.7166.6-70.6-177.4-8.700110.1N77Q64-N77 WeakPolarHBondContact O-CB 3.48Å; Q64-N77 PolarHBondContact O-N 2.98Å
65I90.7Very high87.8Confident45 Ų4566.1 Ų66.123%0.23134%0.341CS..EExtended strand (participates in β ladder)trans-116.6147.8179.367.9-179.7000109.7T54 K55 V67 I75 V76T54-I65 HydrophobicContact CG2-CB 4.15Å; T54-I65 HydrophobicContact CG2-CD1 4.33Å; T54-I65 HydrophobicContact CG2-CG2 4.28Å; K55-I65 HydrophobicContact CB-CD1 4.11Å; K55-I65 HydrophobicContact CD-CD1 3.54Å; K55-I65 HydrophobicContact CG-CD1 4.46Å; I65-V67 HydrophobicContact CD1-CG2 4.24Å; I65-V67 HydrophobicContact CG1-CG2 4.48Å; I65-I75 WeakPolarHBondContact CA-O 3.21Å; I65-V76 HydrophobicContact CG2-CG2 4.34Å
66H88.6Confident87.9Confident111 Ų11163 Ų6351%0.51433%0.327SS..EExtended strand (participates in β ladder)trans-122.7122.8168.6-174.9-73.2000108.6I75H66-I75 HydrophobicContact CB-CB 4.26Å; H66-I75 PolarHBondContact N-O 2.89Å; H66-I75 PolarHBondContact O-N 2.94Å
67V86.6Confident87.8Confident45 Ų4566.1 Ų66.127%0.27334%0.344SS..EExtended strand (participates in β ladder)trans-114.7114.8-178.2179.40000107.9I51 T54 I65 Y74I51-V67 HydrophobicContact CD1-CG1 4.03Å; I51-V67 HydrophobicContact CG1-CG1 4.17Å; I51-V67 HydrophobicContact CG1-CG2 4.33Å; T54-V67 HydrophobicContact CG2-CG2 4.04Å; I65-V67 HydrophobicContact CD1-CG2 4.24Å; I65-V67 HydrophobicContact CG1-CG2 4.48Å; V67-Y74 HydrophobicContact CB-CD1 4.48Å; V67-Y74 HydrophobicContact CG1-CD1 3.83Å; V67-Y74 HydrophobicContact CG1-CE1 3.58Å; V67-Y74 HydrophobicContact CG2-CD1 4.26Å
68D85.7Confident87.6Confident45 Ų4567.2 Ų67.224%0.24136%0.355CS..EExtended strand (participates in β ladder)trans-110.796.9170.1-173.8-2.8000108.7K70 N71 E72 R73D68-K70 PolarHBondContact O-N 3.44Å; D68-K70 PolarHBondContact OD1-N 3.42Å; D68-N71 PolarHBondContact OD2-ND2 3Å; D68-E72 PolarHBondContact O-N 3.21Å; D68-R73 HydrophobicContact CB-CB 4.43Å; D68-R73 PolarHBondContact N-O 3.27Å; D68-R73 PolarHBondContact O-N 3.24Å
69E81.1Confident87.4Confident141 Ų14169.9 Ų69.966%0.65938%0.376SS*.THydrogen-bonded Turntrans-66.5-27.2-177.6-170.6168.7-159.300112.1
70K80.6Confident87.2Confident194 Ų19469.5 Ų69.584%0.84337%0.371SS*.THydrogen-bonded Turntrans-71.4-38-177.7-66.2-177.6179.4-179.90112.7D68D68-K70 PolarHBondContact O-N 3.44Å; D68-K70 PolarHBondContact OD1-N 3.42Å
71N81Confident87.1Confident120 Ų12072.8 Ų72.864%0.64239%0.387SS*.THydrogen-bonded Turntrans-99.75.8-178.5-65.7-45.8000112.5D68 R73D68-N71 PolarHBondContact OD2-ND2 3Å; N71-R73 HydrophobicContact CB-CB 4.28Å; N71-R73 PolarHBondContact O-N 3.15Å; N71-R73 VanDerWaalsContact O-N 3.1Å
72E81.8Confident87.1Confident108 Ų10872.9 Ų72.951%0.50539%0.392SS..THydrogen-bonded Turntrans47.735-170.7-60.9-170-175.500113.1S40 D68 Y74S40-E72 WeakPolarHBondContact CB-OE2 3.33Å; S40-E72 PolarHBondContact OG-OE2 3.14Å; D68-E72 PolarHBondContact O-N 3.21Å; E72-Y74 VanDerWaalsContact C-CE2 3.48Å; E72-Y74 HydrophobicContact CB-CE2 4.3Å; E72-Y74 VanDerWaalsContact O-CD2 3.24Å; E72-Y74 WeakPolarHBondContact O-CD2 3.24Å; E72-Y74 WeakPolarHBondContact O-CE2 3.26Å
73R86.8Confident87.1Confident86 Ų8674.8 Ų74.833%0.32538%0.384SS..EExtended strand (participates in β ladder)trans-104.1114.7-174.4-162.3-177.5-142.5-109.33.3110.1E26 V35 D68 N71 I75E26-R73 IonicContact OE1-CZ 3.45Å; E26-R73 IonicContact OE1-NH1 3.27Å; E26-R73 IonicContact OE1-NH2 3.04Å; E26-R73 PolarHBondContact OE1-NH2 3.13Å; E26-R73 IonicContact OE2-CZ 3.56Å; E26-R73 IonicContact OE2-NH1 2.75Å; E26-R73 PolarHBondContact OE2-NH1 3.23Å; E26-R73 IonicContact OE2-NH2 3.9Å; E26-R73 PolarHBondContact OE2-NH2 3.45Å; V35-R73 HydrophobicContact CG1-CG 4.08Å; D68-R73 HydrophobicContact CB-CB 4.43Å; D68-R73 PolarHBondContact N-O 3.27Å; D68-R73 PolarHBondContact O-N 3.24Å; N71-R73 HydrophobicContact CB-CB 4.28Å; N71-R73 PolarHBondContact O-N 3.15Å; N71-R73 VanDerWaalsContact O-N 3.1Å; R73-I75 HydrophobicContact CG-CD1 4.38Å; R73-I75 HydrophobicContact CG-CG1 4.2Å
74Y89.9Confident87.2Confident7 Ų779 Ų793%0.02740%0.399CS..EExtended strand (participates in β ladder)trans-115.1119.3-177.7-57.9-96.4000109.8V35 I36 V39 P50 T54 V67 E72V35-Y74 WeakPolarHBondContact CA-O 3.48Å; I36-Y74 PolarHBondContact N-O 3.45Å; V39-Y74 HydrophobicContact CB-CD2 4.4Å; V39-Y74 HydrophobicContact CG1-CD1 4.31Å; V39-Y74 HydrophobicContact CG1-CD2 2.96Å; V39-Y74 HydrophobicContact CG1-CE2 3.47Å; V39-Y74 VanDerWaalsContact CG1-CE2 3.47Å; V39-Y74 HydrophobicContact CG1-CG 3.45Å; V39-Y74 VanDerWaalsContact CG1-CG 3.45Å; P50-Y74 HydrophobicContact CB-CE1 3.85Å; P50-Y74 HydrophobicContact CB-CE2 4.11Å; P50-Y74 WeakPolarHBondContact CB-OH 3.44Å; P50-Y74 HydrophobicContact CG-CE1 4.12Å; P50-Y74 HydrophobicContact CG-CE2 4.4Å; P50-Y74 WeakPolarHBondContact CG-OH 3.45Å; T54-Y74 HydrophobicContact CG2-CD1 4.24Å; T54-Y74 WeakPolarHBondContact OG1-CD1 3.4Å; V67-Y74 HydrophobicContact CB-CD1 4.48Å; V67-Y74 HydrophobicContact CG1-CD1 3.83Å; V67-Y74 HydrophobicContact CG1-CE1 3.58Å; V67-Y74 HydrophobicContact CG2-CD1 4.26Å; E72-Y74 VanDerWaalsContact C-CE2 3.48Å; E72-Y74 HydrophobicContact CB-CE2 4.3Å; E72-Y74 VanDerWaalsContact O-CD2 3.24Å; E72-Y74 WeakPolarHBondContact O-CD2 3.24Å; E72-Y74 WeakPolarHBondContact O-CE2 3.26Å
75I90.8Very high87.2Confident16 Ų1671.8 Ų71.88%0.08237%0.365CS..EExtended strand (participates in β ladder)trans-122.3130.5-171.3-48.6-178.5000108.9K33 V35 I65 H66 R73K33-I75 HydrophobicContact CB-CG2 3.65Å; K33-I75 HydrophobicContact CD-CG2 3.89Å; K33-I75 HydrophobicContact CG-CG2 3.79Å; V35-I75 HydrophobicContact CG2-CG1 4.14Å; V35-I75 HydrophobicContact CG2-CG2 4.4Å; I65-I75 WeakPolarHBondContact CA-O 3.21Å; H66-I75 HydrophobicContact CB-CB 4.26Å; H66-I75 PolarHBondContact N-O 2.89Å; H66-I75 PolarHBondContact O-N 2.94Å; R73-I75 HydrophobicContact CG-CD1 4.38Å; R73-I75 HydrophobicContact CG-CG1 4.2Å
76V91.8Very high87.2Confident0 Ų070.9 Ų70.90%036%0.36CS..EExtended strand (participates in β ladder)trans-114.8126.3173-176.70000108.2K33 T34 I36 T54 F57 L61 A63 I65K33-V76 CarbonylContact C-O 3.53Å; T34-V76 PolarHBondContact N-O 2.88Å; T34-V76 PolarHBondContact O-N 2.71Å; I36-V76 HydrophobicContact CD1-CG2 4.19Å; T54-V76 HydrophobicContact CG2-CG2 4.39Å; F57-V76 HydrophobicContact CB-CG2 4.31Å; L61-V76 HydrophobicContact CD1-CG1 4.15Å; A63-V76 HydrophobicContact CB-CG1 3.79Å; I65-V76 HydrophobicContact CG2-CG2 4.34Å
77N90.5Very high87.4Confident67 Ų6771.6 Ų71.636%0.35836%0.364SS..EExtended strand (participates in β ladder)trans-67.5143.6177.8-72.4-8.1000110.9A63 Q64 H80A63-N77 VanDerWaalsContact CB-O 3.27Å; A63-N77 WeakPolarHBondContact CB-O 3.46Å; Q64-N77 WeakPolarHBondContact O-CB 3.48Å; Q64-N77 PolarHBondContact O-N 2.98Å; N77-H80 PolarHBondContact O-NE2 2.8Å; N77-H80 VanDerWaalsContact O-NE2 3.11Å
78G87.1Confident87.6Confident23 Ų2371 Ų7124%0.23736%0.359CS..SBendtrans102.6169.5-177.100000113.7I32 T34I32-G78 WeakPolarHBondContact O-CA 3.45Å; I32-G78 PolarHBondContact O-N 3.04Å; T34-G78 PolarHBondContact N-O 3.09Å; T34-G78 PolarHBondContact OG1-O 2.77Å; T34-G78 VanDerWaalsContact OG1-O 3.13Å
79A86.9Confident87.9Confident65 Ų6568.9 Ų68.954%0.53735%0.348SS..  trans-98.293.8-179.300000109.8I32I32-A79 HydrophobicContact CD1-CB 3.53Å; I32-A79 HydrophobicContact CG1-CB 3.92Å; I32-A79 HydrophobicContact CG2-CB 4.11Å
80H85.6Confident88.3Confident25 Ų2563.6 Ų63.612%0.11632%0.324CS..  trans-108.8124.8179.1-55.6-67.8000110.4T34 N77 L85T34-H80 PolarHBondContact OG1-N 3.34Å; T34-H80 VanDerWaalsContact OG1-N 3.08Å; T34-H80 PolarHBondContact OG1-O 2.97Å; N77-H80 PolarHBondContact O-NE2 2.8Å; N77-H80 VanDerWaalsContact O-NE2 3.11Å; H80-L85 HydrophobicContact CB-CD1 4.12Å; H80-L85 HydrophobicContact CB-CD2 4.23Å; H80-L85 HydrophobicContact CB-CG 4.02Å
81Q88.3Confident88.8Confident148 Ų14855.7 Ų55.769%0.69230%0.297SS*.  trans-69.5150.5170.7-67.6-178.3-7.100110D83 K84 L85Q81-D83 VanDerWaalsContact C-N 3.25Å; Q81-D83 PolarHBondContact O-N 3.16Å; Q81-K84 PolarHBondContact O-N 3.4Å; Q81-L85 PolarHBondContact O-N 3.41Å
82A89Confident89.3Confident35 Ų3550.1 Ų50.129%0.28927%0.267SS..Hα-helixtrans-61-34.9-178.600000112.4A23 L85 Q86A23-A82 HydrophobicContact CB-CB 4.31Å; A82-L85 PolarHBondContact O-N 2.89Å; A82-Q86 PolarHBondContact O-N 2.94Å
83D89.8Confident89.8Confident115 Ų11545 Ų4562%0.61524%0.244SC*.Hα-helixtrans-64.7-44.5-178.9-56.9-42.1000111.9Q81 L85 Q86 E87Q81-D83 VanDerWaalsContact C-N 3.25Å; Q81-D83 PolarHBondContact O-N 3.16Å; D83-L85 VanDerWaalsContact C-N 3.33Å; D83-L85 PolarHBondContact O-N 3.1Å; D83-Q86 WeakPolarHBondContact O-CB 3.27Å; D83-Q86 PolarHBondContact O-N 3.28Å; D83-Q86 VanDerWaalsContact O-N 3.12Å; D83-E87 PolarHBondContact O-N 3.28Å
84K89.3Confident89.9Confident110 Ų11046.6 Ų46.648%0.47825%0.253SS..Hα-helixtrans-63.8-38.2175.9-171.7176-177178.90112.2Q81 Q86 E87 L88Q81-K84 PolarHBondContact O-N 3.4Å; K84-Q86 VanDerWaalsContact C-N 3.29Å; K84-E87 PolarHBondContact O-N 3.22Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.42Å; K84-L88 VanDerWaalsContact O-N 3.15Å
85L90.5Very high89.8Confident1 Ų151.4 Ų51.41%0.00527%0.274CS..Hα-helixtrans-67.3-33175.1-72.5173.5000111.9L21 A23 T34 I36 F57 L61 H80 Q81 A82 D83 L89L21-L85 HydrophobicContact CD1-CB 4.07Å; L21-L85 HydrophobicContact CD2-CB 3.69Å; L21-L85 HydrophobicContact CD2-CD1 3.97Å; A23-L85 HydrophobicContact CB-CD1 3.86Å; T34-L85 HydrophobicContact CG2-CD1 3.96Å; I36-L85 HydrophobicContact CD1-CD1 4.47Å; I36-L85 HydrophobicContact CG1-CD1 4.42Å; F57-L85 HydrophobicContact CD1-CD2 4Å; F57-L85 HydrophobicContact CE1-CD2 4.25Å; F57-L85 WeakPolarHBondContact CE1-O 3.31Å; F57-L85 HydrophobicContact CG-CD2 4.16Å; L61-L85 HydrophobicContact CD1-CD2 3.85Å; H80-L85 HydrophobicContact CB-CD1 4.12Å; H80-L85 HydrophobicContact CB-CD2 4.23Å; H80-L85 HydrophobicContact CB-CG 4.02Å; Q81-L85 PolarHBondContact O-N 3.41Å; A82-L85 PolarHBondContact O-N 2.89Å; D83-L85 VanDerWaalsContact C-N 3.33Å; D83-L85 PolarHBondContact O-N 3.1Å; L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 PolarHBondContact O-N 2.95Å
86Q90.2Very high89.6Confident27 Ų2750.9 Ų50.913%0.12627%0.271CS..Hα-helixtrans-67.2-42.8175.1-169.967.249.400111.3L21 A82 D83 K84 L88 L89 D90L21-Q86 VanDerWaalsContact CB-OE1 3.24Å; A82-Q86 PolarHBondContact O-N 2.94Å; D83-Q86 WeakPolarHBondContact O-CB 3.27Å; D83-Q86 PolarHBondContact O-N 3.28Å; D83-Q86 VanDerWaalsContact O-N 3.12Å; K84-Q86 VanDerWaalsContact C-N 3.29Å; Q86-L88 PolarHBondContact O-N 3.23Å; Q86-L89 WeakPolarHBondContact O-CB 3.1Å; Q86-L89 PolarHBondContact O-N 3.48Å; Q86-D90 VanDerWaalsContact O-CG 3.31Å; Q86-D90 PolarHBondContact O-N 3.09Å
87E91.3Very high89.5Confident126 Ų12650.9 Ų50.959%0.58927%0.271SS*.Hα-helixtrans-61.5-42.2175.2-69.8175.4177.100112.4D83 K84 L89 D90 G91D83-E87 PolarHBondContact O-N 3.28Å; K84-E87 PolarHBondContact O-N 3.22Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-D90 PolarHBondContact O-N 2.89Å; E87-G91 PolarHBondContact O-N 2.88Å; E87-G91 VanDerWaalsContact O-N 3.09Å
88L92.1Very high89.4Confident33 Ų3348.6 Ų48.617%0.17326%0.258CS..Hα-helixtrans-65-38.9174.7-70176.6000111.7F56 F57 E60 L61 K84 Q86 D90 G91 F92F56-L88 VanDerWaalsContact CE1-O 3.23Å; F56-L88 WeakPolarHBondContact CE1-O 3.5Å; F57-L88 HydrophobicContact CD1-CB 3.94Å; F57-L88 HydrophobicContact CD1-CD1 4.33Å; F57-L88 HydrophobicContact CE1-CB 3.84Å; E60-L88 HydrophobicContact CB-CD1 4.28Å; E60-L88 HydrophobicContact CB-CD2 3.83Å; E60-L88 HydrophobicContact CG-CD2 4.21Å; L61-L88 HydrophobicContact CD1-CD1 4.02Å; L61-L88 HydrophobicContact CD2-CD1 3.55Å; L61-L88 HydrophobicContact CG-CD1 3.61Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.42Å; K84-L88 VanDerWaalsContact O-N 3.15Å; Q86-L88 PolarHBondContact O-N 3.23Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.03Å; L88-G91 PolarHBondContact O-N 3.25Å; L88-F92 PolarHBondContact O-N 3.07Å
89L91.7Very high89.5Confident0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-61.8-41.2175174.863.5000111.3M18 L21 I42 L46 L53 F57 L85 Q86 E87 G91 F92 I93M18-L89 HydrophobicContact CE-CD2 4.31Å; M18-L89 HydrophobicContact SD-CD2 4.16Å; L21-L89 HydrophobicContact CD1-CD2 4.32Å; I42-L89 HydrophobicContact CD1-CD2 4.32Å; I42-L89 HydrophobicContact CG2-CD1 4.23Å; I42-L89 HydrophobicContact CG2-CD2 4.08Å; L46-L89 HydrophobicContact CD1-CD1 4.25Å; L53-L89 HydrophobicContact CD1-CD1 3.42Å; L53-L89 VanDerWaalsContact CD1-CD1 3.42Å; L53-L89 HydrophobicContact CD2-CD1 3.79Å; L53-L89 HydrophobicContact CG-CD1 4.27Å; F57-L89 HydrophobicContact CE1-CB 4.25Å; F57-L89 HydrophobicContact CZ-CB 4.1Å; L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 PolarHBondContact O-N 2.95Å; Q86-L89 WeakPolarHBondContact O-CB 3.1Å; Q86-L89 PolarHBondContact O-N 3.48Å; E87-L89 VanDerWaalsContact C-N 3.33Å; L89-G91 VanDerWaalsContact C-N 3.28Å; L89-G91 PolarHBondContact O-N 3.34Å; L89-F92 HydrophobicContact CD1-CD1 4.36Å; L89-F92 WeakPolarHBondContact O-CB 3.47Å; L89-F92 PolarHBondContact O-N 3.22Å; L89-F92 VanDerWaalsContact O-N 3.14Å; L89-I93 HydrophobicContact CD1-CD1 4.15Å; L89-I93 HydrophobicContact CD1-CG1 4.32Å; L89-I93 HydrophobicContact CG-CD1 3.94Å; L89-I93 VanDerWaalsContact O-CG1 3.31Å; L89-I93 WeakPolarHBondContact O-CG1 3.26Å; L89-I93 PolarHBondContact O-N 3.19Å
90D90.5Very high89.4Confident29 Ų2952 Ų5216%0.15526%0.259CS..Hα-helixtrans-61.8-39.7175.7-64.7-13.2000110.7R7 Q86 E87 L88 I93 K94R7-D90 WeakPolarHBondContact CD-OD2 3.23Å; Q86-D90 VanDerWaalsContact O-CG 3.31Å; Q86-D90 PolarHBondContact O-N 3.09Å; E87-D90 PolarHBondContact O-N 2.89Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.03Å; D90-I93 PolarHBondContact O-N 2.94Å; D90-K94 PolarHBondContact O-N 3.24Å
91G90.2Very high89.4Confident28 Ų2855.2 Ų55.229%0.28928%0.283SS..Hα-helixtrans-62.1-39.5172.100000113.7E87 L88 L89 K95E87-G91 PolarHBondContact O-N 2.88Å; E87-G91 VanDerWaalsContact O-N 3.09Å; L88-G91 PolarHBondContact O-N 3.25Å; L89-G91 VanDerWaalsContact C-N 3.28Å; L89-G91 PolarHBondContact O-N 3.34Å; G91-K95 WeakPolarHBondContact O-CG 3.37Å; G91-K95 PolarHBondContact O-N 3.19Å
92F91.5Very high89.3Confident3 Ų351 Ų511%0.01327%0.27CS..Hα-helixtrans-63-46173.5175.3-105.7000111.6L46 L53 F56 L88 L89 K94 K95 F96 V97 L137L46-F92 HydrophobicContact CD1-CE1 4.39Å; L53-F92 HydrophobicContact CD1-CD1 3.96Å; L53-F92 HydrophobicContact CD1-CE1 4.43Å; L53-F92 HydrophobicContact CD1-CG 4.22Å; F56-F92 HydrophobicContact CB-CD2 3.89Å; F56-F92 HydrophobicContact CB-CE2 4.41Å; F56-F92 HydrophobicContact CD1-CB 3.63Å; F56-F92 HydrophobicContact CD1-CD2 4.1Å; F56-F92 HydrophobicContact CD1-CG 4.2Å; F56-F92 HydrophobicContact CD2-CB 4.45Å; F56-F92 AromaticContact CD2-CD2 3.74Å; F56-F92 HydrophobicContact CD2-CD2 3.74Å; F56-F92 HydrophobicContact CE1-CB 3.64Å; F56-F92 HydrophobicContact CE2-CB 4.48Å; F56-F92 HydrophobicContact CE2-CD2 4.33Å; F56-F92 HydrophobicContact CG-CB 4.04Å; F56-F92 AromaticContact CG-CD2 3.61Å; F56-F92 HydrophobicContact CG-CD2 3.61Å; F56-F92 HydrophobicContact CG-CG 4.17Å; F56-F92 HydrophobicContact CZ-CB 4.08Å; L88-F92 PolarHBondContact O-N 3.07Å; L89-F92 HydrophobicContact CD1-CD1 4.36Å; L89-F92 WeakPolarHBondContact O-CB 3.47Å; L89-F92 PolarHBondContact O-N 3.22Å; L89-F92 VanDerWaalsContact O-N 3.14Å; F92-K94 PolarHBondContact O-N 3.24Å; F92-K95 PolarHBondContact O-N 3.44Å; F92-F96 HydrophobicContact CD2-CB 4.01Å; F92-F96 AromaticContact CD2-CD2 3.44Å; F92-F96 HydrophobicContact CD2-CD2 3.44Å; F92-F96 VanDerWaalsContact CD2-CD2 3.44Å; F92-F96 HydrophobicContact CD2-CE2 4.23Å; F92-F96 AromaticContact CD2-CG 3.95Å; F92-F96 HydrophobicContact CD2-CG 3.95Å; F92-F96 HydrophobicContact CE2-CB 3.61Å; F92-F96 AromaticContact CE2-CD2 3.69Å; F92-F96 HydrophobicContact CE2-CD2 3.69Å; F92-F96 AromaticContact CE2-CG 3.71Å; F92-F96 HydrophobicContact CE2-CG 3.71Å; F92-F96 HydrophobicContact CG-CD2 4.38Å; F92-F96 HydrophobicContact CZ-CB 3.99Å; F92-F96 WeakPolarHBondContact O-CB 3.44Å; F92-F96 PolarHBondContact O-N 3Å; F92-V97 HydrophobicContact CD1-CG2 4.2Å; F92-V97 HydrophobicContact CE1-CG2 3.78Å; F92-V97 HydrophobicContact CZ-CG2 4.4Å; F92-L137 HydrophobicContact CD2-CD2 4.09Å; F92-L137 HydrophobicContact CE2-CD2 3.55Å
93I91.5Very high89Confident2 Ų250.7 Ų50.71%0.0127%0.27CS..Iπ-helixtrans-60.8-46.6-179-70.4164.8000110.2I5 M18 L46 L89 D90 K95 V97 L98I5-I93 HydrophobicContact CG2-CD1 4.28Å; I5-I93 HydrophobicContact CG2-CG2 3.63Å; M18-I93 HydrophobicContact CE-CD1 3.64Å; M18-I93 HydrophobicContact SD-CD1 3.66Å; L46-I93 HydrophobicContact CD1-CG1 4.19Å; L46-I93 HydrophobicContact CD2-CD1 4.17Å; L46-I93 HydrophobicContact CD2-CG1 4Å; L89-I93 HydrophobicContact CD1-CD1 4.15Å; L89-I93 HydrophobicContact CD1-CG1 4.32Å; L89-I93 HydrophobicContact CG-CD1 3.94Å; L89-I93 VanDerWaalsContact O-CG1 3.31Å; L89-I93 WeakPolarHBondContact O-CG1 3.26Å; L89-I93 PolarHBondContact O-N 3.19Å; D90-I93 PolarHBondContact O-N 2.94Å; I93-K95 VanDerWaalsContact C-N 3.34Å; I93-K95 PolarHBondContact O-N 3.4Å; I93-V97 HydrophobicContact CG2-CB 4.35Å; I93-V97 WeakPolarHBondContact O-CB 3.14Å; I93-V97 PolarHBondContact O-N 3.34Å; I93-L98 HydrophobicContact CG2-CD1 4.09Å; I93-L98 HydrophobicContact CG2-CD2 4.06Å; I93-L98 HydrophobicContact CG2-CG 3.76Å; I93-L98 PolarHBondContact O-N 3.01Å
94K88.9Confident88.8Confident118 Ų11846.3 Ų46.351%0.51325%0.247SC..Iπ-helixtrans-62.9-36-179.9-170.7165.5-176.3160.30113.7E8 D90 F92E8-K94 IonicContact OE1-NZ 3.94Å; E8-K94 PolarHBondContact OE1-NZ 3.01Å; D90-K94 PolarHBondContact O-N 3.24Å; F92-K94 PolarHBondContact O-N 3.24Å
95K87.5Confident88.6Confident108 Ų10841.3 Ų41.347%0.4723%0.226SC..Iπ-helixtrans-86.9-40.9-177.8-68179.8-176.6177.90113.7G91 F92 I93 L131G91-K95 WeakPolarHBondContact O-CG 3.37Å; G91-K95 PolarHBondContact O-N 3.19Å; F92-K95 PolarHBondContact O-N 3.44Å; I93-K95 VanDerWaalsContact C-N 3.34Å; I93-K95 PolarHBondContact O-N 3.4Å; K95-L131 WeakPolarHBondContact O-CD2 3.2Å
96F87.8Confident88.4Confident6 Ų643.3 Ų43.33%0.02624%0.235CC..Iπ-helixtrans-114.4-16.8-165.8-66.2-82.9000115.3R48 F56 F92 L131 H135 L137R48-F96 PolarHBondContact NH2-O 2.95Å; F56-F96 HydrophobicContact CD2-CD2 4.4Å; F56-F96 AromaticContact CD2-CE2 3.9Å; F56-F96 HydrophobicContact CD2-CE2 3.9Å; F56-F96 HydrophobicContact CE2-CD2 4.32Å; F56-F96 AromaticContact CE2-CE2 3.72Å; F56-F96 HydrophobicContact CE2-CE2 3.72Å; F92-F96 HydrophobicContact CD2-CB 4.01Å; F92-F96 AromaticContact CD2-CD2 3.44Å; F92-F96 HydrophobicContact CD2-CD2 3.44Å; F92-F96 VanDerWaalsContact CD2-CD2 3.44Å; F92-F96 HydrophobicContact CD2-CE2 4.23Å; F92-F96 AromaticContact CD2-CG 3.95Å; F92-F96 HydrophobicContact CD2-CG 3.95Å; F92-F96 HydrophobicContact CE2-CB 3.61Å; F92-F96 AromaticContact CE2-CD2 3.69Å; F92-F96 HydrophobicContact CE2-CD2 3.69Å; F92-F96 AromaticContact CE2-CG 3.71Å; F92-F96 HydrophobicContact CE2-CG 3.71Å; F92-F96 HydrophobicContact CG-CD2 4.38Å; F92-F96 HydrophobicContact CZ-CB 3.99Å; F92-F96 WeakPolarHBondContact O-CB 3.44Å; F92-F96 PolarHBondContact O-N 3Å; F96-L131 HydrophobicContact CD1-CD1 3.76Å; F96-L131 HydrophobicContact CD1-CD2 3.93Å; F96-L131 HydrophobicContact CD1-CG 4.39Å; F96-L131 HydrophobicContact CE1-CD1 4.25Å; F96-L131 HydrophobicContact CE1-CD2 4.48Å; F96-H135 HydrophobicContact CZ-CB 4.2Å; F96-H135 AromaticContact CZ-CG 3.88Å; F96-H135 AromaticContact CZ-ND1 3.58Å; F96-L137 HydrophobicContact CD1-CD2 4.21Å; F96-L137 HydrophobicContact CD2-CD2 4.26Å; F96-L137 HydrophobicContact CE1-CB 4.49Å; F96-L137 HydrophobicContact CE1-CD2 4.03Å; F96-L137 HydrophobicContact CE2-CD2 4.07Å; F96-L137 HydrophobicContact CG-CD2 4.35Å; F96-L137 HydrophobicContact CZ-CB 4.21Å; F96-L137 HydrophobicContact CZ-CD2 3.97Å
97V89.1Confident88.4Confident0 Ų042.4 Ų42.40%023%0.231CC..Iπ-helixtrans-112.5-50-174.2-175.50000111.3L46 F92 I93 P105 T107L46-V97 HydrophobicContact CD2-CG1 4.12Å; L46-V97 HydrophobicContact CD2-CG2 4.48Å; F92-V97 HydrophobicContact CD1-CG2 4.2Å; F92-V97 HydrophobicContact CE1-CG2 3.78Å; F92-V97 HydrophobicContact CZ-CG2 4.4Å; I93-V97 HydrophobicContact CG2-CB 4.35Å; I93-V97 WeakPolarHBondContact O-CB 3.14Å; I93-V97 PolarHBondContact O-N 3.34Å; V97-P105 HydrophobicContact CG1-CB 4.04Å; V97-P105 WeakPolarHBondContact CG1-O 3.3Å; V97-T107 WeakPolarHBondContact O-CG2 3.25Å; V97-T107 PolarHBondContact O-OG1 3.48Å
98L89.4Confident88.2Confident18 Ų1838.5 Ų38.59%0.09422%0.216CC..SBendtrans-69.9135.3179.8-59.6-177.9000110.7N6 I93 P105N6-L98 HydrophobicContact CB-CD1 4.23Å; I93-L98 HydrophobicContact CG2-CD1 4.09Å; I93-L98 HydrophobicContact CG2-CD2 4.06Å; I93-L98 HydrophobicContact CG2-CG 3.76Å; I93-L98 PolarHBondContact O-N 3.01Å; L98-P105 HydrophobicContact CD2-CB 3.94Å
99C88.8Confident87.9Confident12 Ų1237.9 Ų37.98%0.08121%0.212CC..  trans-67.8133.6170.6177.40000110.6S101 G103 N104 T107 C122 C125 S127C99-S101 PolarHBondContact O-N 3.2Å; C99-S101 PolarHBondContact SG-N 2.96Å; C99-S101 VanDerWaalsContact SG-N 3.39Å; C99-G103 WeakPolarHBondContact O-CA 3.46Å; C99-G103 PolarHBondContact O-N 3.45Å; C99-N104 PolarHBondContact N-O 3.38Å; C99-N104 VanDerWaalsContact N-O 3.12Å; C99-T107 HydrophobicContact CB-CG2 3.94Å; C99-C122 HydrophobicContact CB-CB 3.9Å; C99-C125 VanDerWaalsContact SG-SG 3.66Å; C99-S127 PolarHBondContact SG-OG 3.27Å
100Q84.9Confident87.5Confident149 Ų14942.7 Ų42.770%0.69624%0.235SC*.THydrogen-bonded Turntrans-65.8-21.3178.6-59.6-58.6-2300113.6
101S85.1Confident87.3Confident91 Ų9142.9 Ų42.964%0.63624%0.237SC*.THydrogen-bonded Turntrans-90.2-45.7-178.5-44.40000112.8C99 S127C99-S101 PolarHBondContact O-N 3.2Å; C99-S101 PolarHBondContact SG-N 2.96Å; C99-S101 VanDerWaalsContact SG-N 3.39Å; S101-S127 PolarHBondContact OG-OG 3.27Å
102C85.4Confident86.8Confident60 Ų6045.9 Ų45.941%0.40525%0.246SC..THydrogen-bonded Turntrans-120-7.4-169.769.80000115N104 C122 C125C102-N104 PolarHBondContact O-N 3.41Å; C102-C122 PolarHBondContact SG-SG 2.92Å; C102-C125 HydrophobicContact CB-CB 4.11Å; C102-C125 PolarHBondContact SG-SG 3.36Å
103G83.7Confident86Confident29 Ų2953.7 Ų53.730%0.29928%0.28SS..  trans69.114.8-179.400000115.3C99C99-G103 WeakPolarHBondContact O-CA 3.46Å; C99-G103 PolarHBondContact O-N 3.45Å
104N85.8Confident85.2Confident22 Ų2265.2 Ų65.212%0.11832%0.324CS..  trans-82135.6177.5-164.547.2000111.1Y16 C99 C102 E106 A124Y16-N104 WeakPolarHBondContact CE2-OD1 3.23Å; Y16-N104 PolarHBondContact OH-OD1 3.17Å; C99-N104 PolarHBondContact N-O 3.38Å; C99-N104 VanDerWaalsContact N-O 3.12Å; C102-N104 PolarHBondContact O-N 3.41Å; N104-E106 VanDerWaalsContact C-N 3.34Å; N104-E106 PolarHBondContact O-N 3.18Å; N104-A124 HydrophobicContact CB-CB 4.01Å; N104-A124 WeakPolarHBondContact ND2-CB 3.5Å
105P85.7Confident84.2Confident6 Ų661.9 Ų61.94%0.03932%0.323CS..SBendtrans-77.1-12.8179.428.7-35.7000114.7I5 Y16 V97 L98 T107I5-P105 HydrophobicContact CD1-CB 4.3Å; I5-P105 HydrophobicContact CD1-CG 4.31Å; I5-P105 HydrophobicContact CG2-CB 3.95Å; I5-P105 HydrophobicContact CG2-CG 4.49Å; Y16-P105 HydrophobicContact CD1-CG 4.15Å; Y16-P105 HydrophobicContact CD2-CG 3.52Å; Y16-P105 HydrophobicContact CE2-CG 4.05Å; Y16-P105 HydrophobicContact CG-CG 3.56Å; V97-P105 HydrophobicContact CG1-CB 4.04Å; V97-P105 WeakPolarHBondContact CG1-O 3.3Å; L98-P105 HydrophobicContact CD2-CB 3.94Å; P105-T107 PolarHBondContact O-N 3.43Å
106E86.3Confident83.7Confident43 Ų4358.2 Ų58.220%0.20132%0.316CS..  trans-81.182.3178.2-58.8-170.1158.800111.7Y16 Y47 N104 K123Y16-E106 HydrophobicContact CE1-CG 3.79Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.36Å; Y47-E106 HydrophobicContact CE2-CG 4.46Å; N104-E106 VanDerWaalsContact C-N 3.34Å; N104-E106 PolarHBondContact O-N 3.18Å; E106-K123 HydrophobicContact CB-CB 4.35Å; E106-K123 HydrophobicContact CB-CD 4.4Å; E106-K123 PolarHBondContact O-N 3.15Å
107T88.7Confident83.5Confident7 Ų759.3 Ų59.34%0.04332%0.323CS..EExtended strand (participates in β ladder)trans-118.4140.1175.758.50000111.1R48 V97 C99 P105 T121 C122R48-T107 PolarHBondContact NH1-O 3.47Å; R48-T107 PolarHBondContact NH2-O 3.3Å; R48-T107 VanDerWaalsContact NH2-O 3.16Å; R48-T107 PolarHBondContact NH2-OG1 3.14Å; V97-T107 WeakPolarHBondContact O-CG2 3.25Å; V97-T107 PolarHBondContact O-OG1 3.48Å; C99-T107 HydrophobicContact CB-CG2 3.94Å; P105-T107 PolarHBondContact O-N 3.43Å; T107-T121 CarbonylContact C-O 3.53Å; T107-T121 VanDerWaalsContact CA-O 3.31Å; T107-T121 WeakPolarHBondContact CA-O 3.24Å; T107-C122 HydrophobicContact CG2-CB 4.3Å
108T87.5Confident83.4Confident44 Ų4459.3 Ų59.327%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-100.213917355.50000110.1H110 T120 T121T108-H110 PolarHBondContact OG1-NE2 3.41Å; T108-T120 CarbonylContact O-C 3.43Å; T108-T120 VanDerWaalsContact O-CA 3.27Å; T108-T120 WeakPolarHBondContact O-CA 3.31Å; T108-T121 PolarHBondContact N-O 3.36Å; T108-T121 PolarHBondContact O-N 2.67Å; T108-T121 PolarHBondContact OG1-O 2.82Å
109M86Confident83.3Confident21 Ų2159.8 Ų59.810%0.10333%0.329CS..EExtended strand (participates in β ladder)trans-100.3127.4178.5-67.9176.574.900110.4R48 V118 A119 T120 L131 I141R48-M109 PolarHBondContact NE-SD 2.92Å; R48-M109 VanDerWaalsContact NH2-CG 3.34Å; M109-V118 HydrophobicContact CB-CG1 4.42Å; M109-V118 HydrophobicContact CE-CG1 3.47Å; M109-V118 VanDerWaalsContact CE-CG1 3.47Å; M109-A119 CarbonylContact C-O 3.56Å; M109-A119 WeakPolarHBondContact CA-O 3.36Å; M109-T120 HydrophobicContact CG-CG2 3.95Å; M109-L131 HydrophobicContact CE-CD1 3.31Å; M109-I141 HydrophobicContact CE-CD1 3.67Å; M109-I141 HydrophobicContact CE-CG2 4.12Å
110H84.2Confident83.3Confident100 Ų10060 Ų6046%0.46333%0.33SS..EExtended strand (participates in β ladder)trans-117.3123.2175.2-58.4-77.2000108.6T108 A119 T121T108-H110 PolarHBondContact OG1-NE2 3.41Å; H110-A119 PolarHBondContact N-O 3.12Å; H110-A119 PolarHBondContact O-N 3.06Å; H110-T121 PolarHBondContact CD2-OG1 3Å
111V84.8Confident83.6Confident34 Ų3454.4 Ų54.421%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-96.1117.8-179.5178.70000108.8K113 V118 I141 V142 P145V111-K113 PolarHBondContact O-N 2.92Å; V111-V118 HydrophobicContact CG2-CG1 4.27Å; V111-V118 HydrophobicContact CG2-CG2 4.36Å; V111-I141 HydrophobicContact CG2-CG2 3.77Å; V111-V142 HydrophobicContact CG1-CG2 4.39Å; V111-P145 HydrophobicContact CB-CB 4.36Å; V111-P145 HydrophobicContact CG2-CB 4.3Å
112N80.7Confident83.8Confident91 Ų9150.2 Ų50.249%0.48728%0.277SS..EExtended strand (participates in β ladder)trans-89.7100.5172.1-168.8-7.9000109.3R114 G115 G116 T117N112-R114 PolarHBondContact O-N 3.08Å; N112-R114 PolarHBondContact OD1-N 2.87Å; N112-G115 PolarHBondContact O-N 3.27Å; N112-G116 PolarHBondContact O-N 2.74Å; N112-T117 PolarHBondContact N-O 3.41Å
113K74.5Confident84Confident167 Ų16754 Ų5473%0.72629%0.286SS*.THydrogen-bonded Turntrans-59.5-28.7-179.3-67.1-176179.8-178.70113V111V111-K113 PolarHBondContact O-N 2.92Å
114R73.7Confident84.1Confident244 Ų24455.9 Ų55.992%0.92130%0.299SS*.THydrogen-bonded Turntrans-78.3-33.4-175.8-160.2175.8-177.6-173.2-0.8112.3N112N112-R114 PolarHBondContact O-N 3.08Å; N112-R114 PolarHBondContact OD1-N 2.87Å
115G68.2Low84.3Confident48 Ų4857.8 Ų57.850%0.49531%0.314SS..THydrogen-bonded Turntrans-96.4-11.8179.300000114.6N112 T117N112-G115 PolarHBondContact O-N 3.27Å; G115-T117 PolarHBondContact O-N 2.83Å; G115-T117 VanDerWaalsContact O-N 3.16Å
116G78Confident84.3Confident31 Ų3159.9 Ų59.932%0.3234%0.336SS..THydrogen-bonded Turntrans64.115.5-172.900000113.4N112 V142N112-G116 PolarHBondContact O-N 2.74Å; G116-V142 WeakPolarHBondContact O-CG2 3.44Å
117T83.2Confident84.3Confident28 Ų2859.4 Ų59.417%0.17234%0.338CS..EExtended strand (participates in β ladder)trans-104.8151.2-179.7580000110.7N112 G115 V133N112-T117 PolarHBondContact N-O 3.41Å; G115-T117 PolarHBondContact O-N 2.83Å; G115-T117 VanDerWaalsContact O-N 3.16Å; T117-V133 HydrophobicContact CG2-CG2 4.11Å
118V85.9Confident84.2Confident0 Ų066.4 Ų66.40%037%0.37CS..EExtended strand (participates in β ladder)trans-113.6113.8176.4-173.20000107.9M109 V111 L131 T138 I141 V142M109-V118 HydrophobicContact CB-CG1 4.42Å; M109-V118 HydrophobicContact CE-CG1 3.47Å; M109-V118 VanDerWaalsContact CE-CG1 3.47Å; V111-V118 HydrophobicContact CG2-CG1 4.27Å; V111-V118 HydrophobicContact CG2-CG2 4.36Å; V118-L131 HydrophobicContact CB-CB 4.45Å; V118-L131 HydrophobicContact CB-CD1 4.09Å; V118-L131 HydrophobicContact CG1-CD1 3.81Å; V118-L131 PolarHBondContact O-N 3.45Å; V118-T138 HydrophobicContact CB-CG2 4.18Å; V118-T138 HydrophobicContact CG2-CG2 3.71Å; V118-I141 HydrophobicContact CG1-CG2 4.07Å; V118-I141 HydrophobicContact CG2-CB 4.25Å; V118-I141 HydrophobicContact CG2-CG2 3.88Å; V118-V142 HydrophobicContact CG2-CG2 3.73Å
119A88.6Confident84Confident28 Ų2865.6 Ų65.623%0.23137%0.37CS..EExtended strand (participates in β ladder)trans-90.9143.7175.700000110.2M109 H110 G129M109-A119 CarbonylContact C-O 3.56Å; M109-A119 WeakPolarHBondContact CA-O 3.36Å; H110-A119 PolarHBondContact N-O 3.12Å; H110-A119 PolarHBondContact O-N 3.06Å; A119-G129 CarbonylContact C-O 3.58Å; A119-G129 WeakPolarHBondContact CA-O 3.44Å
120T89.2Confident84Confident17 Ų1770 Ų7010%0.10439%0.391CS..EExtended strand (participates in β ladder)trans-116.3123.9173.150.30000109.3T108 M109 Q128 G129 L131T108-T120 CarbonylContact O-C 3.43Å; T108-T120 VanDerWaalsContact O-CA 3.27Å; T108-T120 WeakPolarHBondContact O-CA 3.31Å; M109-T120 HydrophobicContact CG-CG2 3.95Å; T120-Q128 CarbonylContact O-C 3.51Å; T120-Q128 WeakPolarHBondContact O-CA 3.17Å; T120-G129 PolarHBondContact N-O 3.49Å; T120-G129 PolarHBondContact O-N 3.01Å; T120-G129 PolarHBondContact OG1-O 3.2Å; T120-G129 VanDerWaalsContact OG1-O 3.13Å; T120-L131 HydrophobicContact CG2-CD1 3.9Å; T120-L131 HydrophobicContact CG2-CD2 3.94Å; T120-L131 HydrophobicContact CG2-CG 3.77Å
121T89.7Confident83.9Confident31 Ų3165.7 Ų65.719%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-104.4125.9175-53.10000109T107 T108 H110 Q128T107-T121 CarbonylContact C-O 3.53Å; T107-T121 VanDerWaalsContact CA-O 3.31Å; T107-T121 WeakPolarHBondContact CA-O 3.24Å; T108-T121 PolarHBondContact N-O 3.36Å; T108-T121 PolarHBondContact O-N 2.67Å; T108-T121 PolarHBondContact OG1-O 2.82Å; H110-T121 PolarHBondContact CD2-OG1 3Å; T121-Q128 HydrophobicContact CG2-CG 4.26Å
122C90.6Very high83.7Confident3 Ų368.7 Ų68.72%0.0239%0.386CS..EExtended strand (participates in β ladder)trans-83.5132.2176.3-172.50000111.4C99 C102 T107 A124 C125 G126 S127C99-C122 HydrophobicContact CB-CB 3.9Å; C102-C122 PolarHBondContact SG-SG 2.92Å; T107-C122 HydrophobicContact CG2-CB 4.3Å; C122-A124 VanDerWaalsContact C-N 3.32Å; C122-A124 PolarHBondContact O-N 3.45Å; C122-A124 PolarHBondContact SG-N 2.8Å; C122-A124 VanDerWaalsContact SG-N 3.41Å; C122-C125 WeakPolarHBondContact CB-SG 3.23Å; C122-C125 VanDerWaalsContact SG-SG 3.64Å; C122-G126 VanDerWaalsContact O-CA 3.22Å; C122-G126 WeakPolarHBondContact O-CA 3.29Å; C122-G126 PolarHBondContact O-N 3.34Å; C122-S127 PolarHBondContact N-O 3Å
123K87.9Confident83.7Confident140 Ų14067.7 Ų67.761%0.60938%0.383SS*.THydrogen-bonded Turntrans-72.6-23.2175.3-68.4-173.8-179.7178.30113.8E106E106-K123 HydrophobicContact CB-CB 4.35Å; E106-K123 HydrophobicContact CB-CD 4.4Å; E106-K123 PolarHBondContact O-N 3.15Å
124A87.4Confident84Confident69 Ų6965 Ų6557%0.5738%0.38SS*.THydrogen-bonded Turntrans-85.9-50.6-176.600000112.9N104 C122N104-A124 HydrophobicContact CB-CB 4.01Å; N104-A124 WeakPolarHBondContact ND2-CB 3.5Å; C122-A124 VanDerWaalsContact C-N 3.32Å; C122-A124 PolarHBondContact O-N 3.45Å; C122-A124 PolarHBondContact SG-N 2.8Å; C122-A124 VanDerWaalsContact SG-N 3.41Å
125C88.7Confident84.5Confident62 Ų6254.6 Ų54.642%0.41934%0.342SS..THydrogen-bonded Turntrans-103.1-7.3-177.960.60000114.2C99 C102 C122 S127C99-C125 VanDerWaalsContact SG-SG 3.66Å; C102-C125 HydrophobicContact CB-CB 4.11Å; C102-C125 PolarHBondContact SG-SG 3.36Å; C122-C125 WeakPolarHBondContact CB-SG 3.23Å; C122-C125 VanDerWaalsContact SG-SG 3.64Å; C125-S127 PolarHBondContact O-N 3.31Å; C125-S127 VanDerWaalsContact O-N 3.12Å; C125-S127 PolarHBondContact SG-OG 3.48Å
126G86.4Confident85.2Confident50 Ų5061 Ų6152%0.51535%0.352SS..  trans71.8-4-177.100000115.2C122 Q128C122-G126 VanDerWaalsContact O-CA 3.22Å; C122-G126 WeakPolarHBondContact O-CA 3.29Å; C122-G126 PolarHBondContact O-N 3.34Å; G126-Q128 PolarHBondContact O-N 3.45Å
127S86.4Confident85.6Confident32 Ų3259.6 Ų59.622%0.22434%0.336CS..  trans-65.1138-179.170.20000111.3C99 S101 C122 C125C99-S127 PolarHBondContact SG-OG 3.27Å; S101-S127 PolarHBondContact OG-OG 3.27Å; C122-S127 PolarHBondContact N-O 3Å; C125-S127 PolarHBondContact O-N 3.31Å; C125-S127 VanDerWaalsContact O-N 3.12Å; C125-S127 PolarHBondContact SG-OG 3.48Å
128Q86.9Confident85.7Confident155 Ų15558.3 Ų58.372%0.72433%0.329SS*.EExtended strand (participates in β ladder)trans-98.3118171.4-62.9-174.1-0.800107.8T120 T121 G126T120-Q128 CarbonylContact O-C 3.51Å; T120-Q128 WeakPolarHBondContact O-CA 3.17Å; T121-Q128 HydrophobicContact CG2-CG 4.26Å; G126-Q128 PolarHBondContact O-N 3.45Å
129G83.7Confident85.6Confident27 Ų2763.3 Ų63.328%0.27835%0.352SS..EExtended strand (participates in β ladder)trans-107.5151.3172.100000110.4A119 T120A119-G129 CarbonylContact C-O 3.58Å; A119-G129 WeakPolarHBondContact CA-O 3.44Å; T120-G129 PolarHBondContact N-O 3.49Å; T120-G129 PolarHBondContact O-N 3.01Å; T120-G129 PolarHBondContact OG1-O 3.2Å; T120-G129 VanDerWaalsContact OG1-O 3.13Å
130Q85.5Confident85.5Confident113 Ų11364.4 Ų64.453%0.52835%0.351SS..EExtended strand (participates in β ladder)trans-98.2136.3168.1-173.9169.4-75.900109.5
131L82.7Confident85.3Confident10 Ų1063.7 Ų63.75%0.05235%0.346CS..PPolyproline II helixtrans-76.7149.3171.8-68.3173.5000111K95 F96 M109 V118 T120 V133K95-L131 WeakPolarHBondContact O-CD2 3.2Å; F96-L131 HydrophobicContact CD1-CD1 3.76Å; F96-L131 HydrophobicContact CD1-CD2 3.93Å; F96-L131 HydrophobicContact CD1-CG 4.39Å; F96-L131 HydrophobicContact CE1-CD1 4.25Å; F96-L131 HydrophobicContact CE1-CD2 4.48Å; M109-L131 HydrophobicContact CE-CD1 3.31Å; V118-L131 HydrophobicContact CB-CB 4.45Å; V118-L131 HydrophobicContact CB-CD1 4.09Å; V118-L131 HydrophobicContact CG1-CD1 3.81Å; V118-L131 PolarHBondContact O-N 3.45Å; T120-L131 HydrophobicContact CG2-CD1 3.9Å; T120-L131 HydrophobicContact CG2-CD2 3.94Å; T120-L131 HydrophobicContact CG2-CG 3.77Å; L131-V133 PolarHBondContact O-N 3.11Å
132D80.8Confident85.1Confident96 Ų9664 Ų6451%0.51335%0.348SS..PPolyproline II helixtrans-56.9120.1178-176.2-0.6000111.5T134 T138D132-T134 VanDerWaalsContact C-N 3.27Å; D132-T134 PolarHBondContact O-N 3.22Å; D132-T134 WeakPolarHBondContact OD1-CB 3.33Å; D132-T134 WeakPolarHBondContact OD1-CG2 3.12Å; D132-T134 PolarHBondContact OD1-N 3.12Å; D132-T134 PolarHBondContact OD1-OG1 3.14Å; D132-T134 PolarHBondContact OD2-OG1 2.93Å; D132-T138 WeakPolarHBondContact O-CB 3.33Å; D132-T138 PolarHBondContact O-OG1 3.02Å
133V79.6Confident84.7Confident70 Ų7071.7 Ų71.742%0.42438%0.381SS..THydrogen-bonded Turntrans-73-23-177-1730000111.3T117 L131 H135T117-V133 HydrophobicContact CG2-CG2 4.11Å; L131-V133 PolarHBondContact O-N 3.11Å; V133-H135 VanDerWaalsContact C-N 3.27Å; V133-H135 PolarHBondContact O-N 3.47Å
134T81.7Confident84.2Confident110 Ų11068.5 Ų68.568%0.67537%0.371SS*.THydrogen-bonded Turntrans-70.2-25.9-178.370.20000112.5D132 R136D132-T134 VanDerWaalsContact C-N 3.27Å; D132-T134 PolarHBondContact O-N 3.22Å; D132-T134 WeakPolarHBondContact OD1-CB 3.33Å; D132-T134 WeakPolarHBondContact OD1-CG2 3.12Å; D132-T134 PolarHBondContact OD1-N 3.12Å; D132-T134 PolarHBondContact OD1-OG1 3.14Å; D132-T134 PolarHBondContact OD2-OG1 2.93Å; T134-R136 PolarHBondContact O-N 2.86Å
135H83.1Confident83.6Confident27 Ų2767.7 Ų67.713%0.12536%0.36CS..SBendtrans-74.5130-174.1-160.6-91.7000112F56 E60 F96 V133 L137 T138F56-H135 AromaticContact CD2-CE1 3.61Å; F56-H135 AromaticContact CE2-CE1 3.6Å; F56-H135 AromaticContact CE2-NE2 3.73Å; E60-H135 IonicContact OE1-NE2 3.78Å; E60-H135 PolarHBondContact OE1-NE2 3.47Å; F96-H135 HydrophobicContact CZ-CB 4.2Å; F96-H135 AromaticContact CZ-CG 3.88Å; F96-H135 AromaticContact CZ-ND1 3.58Å; V133-H135 VanDerWaalsContact C-N 3.27Å; V133-H135 PolarHBondContact O-N 3.47Å; H135-L137 WeakPolarHBondContact ND1-CB 3.38Å; H135-L137 PolarHBondContact ND1-N 2.92Å; H135-L137 PolarHBondContact O-N 3.15Å; H135-T138 WeakPolarHBondContact O-CB 3.32Å; H135-T138 PolarHBondContact O-N 3.08Å
136R83.6Confident82.6Confident183 Ų18366.4 Ų66.469%0.69135%0.351SS*.Hα-helixtrans-56.7-26.5-179.6-67.9-179.5-176.8-1730.6113.6T134 Y140T134-R136 PolarHBondContact O-N 2.86Å; R136-Y140 PolarHBondContact O-N 3.35Å
137L86.5Confident81.3Confident0 Ų070.9 Ų70.90%036%0.358CS..Hα-helixtrans-66.7-40.4174.4-173.266.4000112.2Y52 K55 F56 F92 F96 H135 Q139 Y140 I141Y52-L137 WeakPolarHBondContact O-CD1 3.5Å; K55-L137 HydrophobicContact CB-CD1 3.72Å; K55-L137 HydrophobicContact CG-CD1 3.77Å; F56-L137 HydrophobicContact CB-CD2 4.09Å; F56-L137 HydrophobicContact CD2-CD2 4.03Å; F92-L137 HydrophobicContact CD2-CD2 4.09Å; F92-L137 HydrophobicContact CE2-CD2 3.55Å; F96-L137 HydrophobicContact CD1-CD2 4.21Å; F96-L137 HydrophobicContact CD2-CD2 4.26Å; F96-L137 HydrophobicContact CE1-CB 4.49Å; F96-L137 HydrophobicContact CE1-CD2 4.03Å; F96-L137 HydrophobicContact CE2-CD2 4.07Å; F96-L137 HydrophobicContact CG-CD2 4.35Å; F96-L137 HydrophobicContact CZ-CB 4.21Å; F96-L137 HydrophobicContact CZ-CD2 3.97Å; H135-L137 WeakPolarHBondContact ND1-CB 3.38Å; H135-L137 PolarHBondContact ND1-N 2.92Å; H135-L137 PolarHBondContact O-N 3.15Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 PolarHBondContact O-N 3.45Å; L137-Y140 WeakPolarHBondContact O-CA 3.47Å; L137-Y140 WeakPolarHBondContact O-CB 3.32Å; L137-Y140 PolarHBondContact O-N 3.36Å; L137-I141 HydrophobicContact CD2-CD1 4.26Å; L137-I141 HydrophobicContact CG-CD1 3.83Å; L137-I141 HydrophobicContact CG-CG1 4.34Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.46Å
138T84.5Confident79.9Confident2 Ų275 Ų751%0.01238%0.384CS..Hα-helixtrans-59.7-43.3179.3-510000110.1V118 D132 H135 Y140 I141 V142V118-T138 HydrophobicContact CB-CG2 4.18Å; V118-T138 HydrophobicContact CG2-CG2 3.71Å; D132-T138 WeakPolarHBondContact O-CB 3.33Å; D132-T138 PolarHBondContact O-OG1 3.02Å; H135-T138 WeakPolarHBondContact O-CB 3.32Å; H135-T138 PolarHBondContact O-N 3.08Å; T138-Y140 VanDerWaalsContact C-N 3.3Å; T138-Y140 PolarHBondContact O-N 2.88Å; T138-I141 PolarHBondContact O-N 2.85Å; T138-V142 WeakPolarHBondContact O-CG2 3.31Å; T138-V142 PolarHBondContact O-N 3.13Å
139Q84.2Confident77.8Confident105 Ų10576.5 Ų76.549%0.49139%0.391SS..Hα-helixtrans-60.9-36.8173.6-58.9178.112.400112.9L137 K143L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 PolarHBondContact O-N 3.45Å; Q139-K143 WeakPolarHBondContact O-CG 3.37Å; Q139-K143 PolarHBondContact O-N 2.67Å
140Y85.8Confident75.4Confident50 Ų5079.7 Ų79.720%0.19642%0.415CS..Hα-helixtrans-68.3-39.7176.2-177.4-94.2000112.3I51 Y52 K55 R136 L137 T138 K143 N144I51-Y140 WeakPolarHBondContact CD1-OH 3.27Å; I51-Y140 HydrophobicContact CG1-CE1 4.2Å; I51-Y140 WeakPolarHBondContact CG1-OH 3.4Å; I51-Y140 HydrophobicContact CG2-CE1 4.38Å; Y52-Y140 HydrophobicContact CD1-CD1 4.19Å; Y52-Y140 HydrophobicContact CD1-CE1 4.21Å; Y52-Y140 HydrophobicContact CE1-CD1 4.35Å; Y52-Y140 HydrophobicContact CE1-CE1 4.3Å; K55-Y140 HydrophobicContact CB-CD1 4.45Å; K55-Y140 HydrophobicContact CD-CD2 4.24Å; K55-Y140 HydrophobicContact CD-CE2 4.5Å; K55-Y140 HydrophobicContact CD-CG 4.41Å; K55-Y140 HydrophobicContact CG-CD1 4.07Å; K55-Y140 HydrophobicContact CG-CD2 4.23Å; K55-Y140 HydrophobicContact CG-CG 3.9Å; R136-Y140 PolarHBondContact O-N 3.35Å; L137-Y140 WeakPolarHBondContact O-CA 3.47Å; L137-Y140 WeakPolarHBondContact O-CB 3.32Å; L137-Y140 PolarHBondContact O-N 3.36Å; T138-Y140 VanDerWaalsContact C-N 3.3Å; T138-Y140 PolarHBondContact O-N 2.88Å; Y140-K143 PolarHBondContact O-N 2.94Å; Y140-N144 HydrophobicContact CE1-CB 4.31Å; Y140-N144 WeakPolarHBondContact CE2-ND2 3.42Å; Y140-N144 PolarHBondContact O-N 3.36Å; Y140-N144 PolarHBondContact O-ND2 3.3Å
141I86.7Confident72.8Confident2 Ų280 Ų801%0.0143%0.425CS..Hα-helixtrans-66.5-38177.5-66.1157.3000111Y52 M109 V111 V118 L137 T138 K143 N144 P145Y52-I141 HydrophobicContact CD1-CG1 3.89Å; Y52-I141 HydrophobicContact CE1-CG1 3.79Å; Y52-I141 HydrophobicContact CG-CG1 4.39Å; M109-I141 HydrophobicContact CE-CD1 3.67Å; M109-I141 HydrophobicContact CE-CG2 4.12Å; V111-I141 HydrophobicContact CG2-CG2 3.77Å; V118-I141 HydrophobicContact CG1-CG2 4.07Å; V118-I141 HydrophobicContact CG2-CB 4.25Å; V118-I141 HydrophobicContact CG2-CG2 3.88Å; L137-I141 HydrophobicContact CD2-CD1 4.26Å; L137-I141 HydrophobicContact CG-CD1 3.83Å; L137-I141 HydrophobicContact CG-CG1 4.34Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.46Å; T138-I141 PolarHBondContact O-N 2.85Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 PolarHBondContact O-N 3.49Å; I141-N144 CarbonylContact O-C 3.58Å; I141-N144 PolarHBondContact O-N 3.3Å; I141-P145 WeakPolarHBondContact O-CA 3.42Å
142V84.2Confident70.5Confident38 Ų3885.5 Ų85.523%0.2346%0.461CS..Hα-helixtrans-61.4-39.2175.2173.90000111.1V111 G116 V118 T138V111-V142 HydrophobicContact CG1-CG2 4.39Å; G116-V142 WeakPolarHBondContact O-CG2 3.44Å; V118-V142 HydrophobicContact CG2-CG2 3.73Å; T138-V142 WeakPolarHBondContact O-CG2 3.31Å; T138-V142 PolarHBondContact O-N 3.13Å
143K82.5Confident68.3Low164 Ų16485.4 Ų85.471%0.71347%0.474SS*.Hα-helixtrans-73.3-35.2177.7-69.6177.5-178.2-178.60113.1Q139 Y140 I141 P145Q139-K143 WeakPolarHBondContact O-CG 3.37Å; Q139-K143 PolarHBondContact O-N 2.67Å; Y140-K143 PolarHBondContact O-N 2.94Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 PolarHBondContact O-N 3.49Å; K143-P145 WeakPolarHBondContact O-CD 3.31Å
144N77.3Confident66.3Low73 Ų7391.6 Ų91.639%0.3950%0.495SS..SBendtrans-120.379.8179-62.8-81000108.6Y52 Y140 I141Y52-N144 PolarHBondContact OH-O 3.14Å; Y140-N144 HydrophobicContact CE1-CB 4.31Å; Y140-N144 WeakPolarHBondContact CE2-ND2 3.42Å; Y140-N144 PolarHBondContact O-N 3.36Å; Y140-N144 PolarHBondContact O-ND2 3.3Å; I141-N144 CarbonylContact O-C 3.58Å; I141-N144 PolarHBondContact O-N 3.3Å
145P74.1Confident64Low52 Ų5291.6 Ų91.634%0.33850%0.499SS..PPolyproline II helixtrans-58.7143.8179.124.4-32.9000109.6V111 I141 K143 E147V111-P145 HydrophobicContact CB-CB 4.36Å; V111-P145 HydrophobicContact CG2-CB 4.3Å; I141-P145 WeakPolarHBondContact O-CA 3.42Å; K143-P145 WeakPolarHBondContact O-CD 3.31Å; P145-E147 PolarHBondContact O-N 3.13Å; P145-E147 VanDerWaalsContact O-N 3.15Å
146P69Low61.8Low36 Ų36100.2 Ų100.223%0.23454%0.536CS..PPolyproline II helixtrans-58.2125.116826-30000106.7Y52Y52-P146 WeakPolarHBondContact OH-CA 3.4Å; Y52-P146 WeakPolarHBondContact OH-CD 3.42Å; Y52-P146 VanDerWaalsContact OH-N 3.13Å
147E59.3Low59.9Low144 Ų144100.3 Ų100.367%0.67355%0.545SS*.PPolyproline II helixtrans-54.7130173.8-77164.9145.200107.5K49 P145 E149K49-E147 IonicContact NZ-OE2 2.66Å; K49-E147 PolarHBondContact NZ-OE2 3.44Å; P145-E147 PolarHBondContact O-N 3.13Å; P145-E147 VanDerWaalsContact O-N 3.15Å; E147-E149 PolarHBondContact O-N 3.24Å; E147-E149 VanDerWaalsContact O-N 3.17Å
148P55.9Low57.6Low117 Ų117110.3 Ų110.376%0.7659%0.588SS**PPolyproline II helixtrans-58.3126168.326.6-31.3000105.7A150P148-A150 PolarHBondContact O-N 2.89Å
149E43.2Very low55.4Low187 Ų187120.5 Ų120.587%0.87463%0.632SS**PPolyproline II helixtrans-49.4116.7171.5-71.8-167.7166.300107.3E147 T151E147-E149 PolarHBondContact O-N 3.24Å; E147-E149 VanDerWaalsContact O-N 3.17Å; E149-T151 PolarHBondContact O-N 3.46Å
150A33.2Very low53.2Low95 Ų95119 Ų11979%0.78565%0.645SS**  trans-58.9103.317800000107P148P148-A150 PolarHBondContact O-N 2.89Å
151T32Very low50.9Low120 Ų120126.3 Ų126.374%0.73668%0.678SS**  trans-51.1133.6152.342.80000106.2E149 A153E149-T151 PolarHBondContact O-N 3.46Å; T151-A153 PolarHBondContact O-N 3.04Å
152P33.2Very low48.6Very low124 Ų124135 Ų13581%0.80572%0.716SS**  trans-58.9109.1-176.923-31.1000107.4K154P152-K154 PolarHBondContact O-N 3.29Å
153A34.9Very low46.4Very low95 Ų95139.1 Ų139.179%0.78574%0.741SS**  trans-57.2111.8178.200000107.5T151 S155T151-A153 PolarHBondContact O-N 3.04Å; A153-S155 PolarHBondContact O-N 2.98Å
154K37.2Very low44.1Very low200 Ų200141.6 Ų141.687%0.8775%0.751SS**  trans-47.7116.3158.9-83.2-177.8174.7177.70106.6P152 K156P152-K154 PolarHBondContact O-N 3.29Å; K154-K156 PolarHBondContact O-N 3.16Å
155S34.1Very low42.2Very low110 Ų110141 Ų14177%0.76976%0.763SS**  trans-50.595.3175.438.80000110.6A153 Q157A153-S155 PolarHBondContact O-N 2.98Å; S155-Q157 VanDerWaalsContact C-N 3.26Å; S155-Q157 PolarHBondContact O-N 2.93Å
156K37.5Very low40.5Very low208 Ų208145.5 Ų145.590%0.90478%0.784SS**  trans-73.989160.1-89.5-177.6175.6174.40107.5K154 K158K154-K156 PolarHBondContact O-N 3.16Å; K156-K158 PolarHBondContact O-N 3.35Å
157Q42.3Very low38.9Very low184 Ų184149.8 Ų149.886%0.8681%0.805SS**  trans-54.9129168.2-118170.7-33.500109.7S155 K159S155-Q157 VanDerWaalsContact C-N 3.26Å; S155-Q157 PolarHBondContact O-N 2.93Å; Q157-K159 PolarHBondContact O-N 2.9Å
158K39.3Very low37.9Very low211 Ų211149.7 Ų149.792%0.91781%0.805SS**  trans-45.1118.3175-95.7169.7166.4171.20111.6K156 G160K156-K158 PolarHBondContact O-N 3.35Å; K158-G160 PolarHBondContact O-N 2.87Å; K158-G160 VanDerWaalsContact O-N 3.13Å
159K37.2Very low37.2Very low215 Ų215150.9 Ų150.994%0.93581%0.805SS**  trans-69.8101.4167-150.3173.8-174178.50108.5Q157Q157-K159 PolarHBondContact O-N 2.9Å
160G38.3Very low37.1Very low73 Ų73148.8 Ų148.875%0.75380%0.8SS**  trans-74.6133.2168.200000110.8K158K158-G160 PolarHBondContact O-N 2.87Å; K158-G160 VanDerWaalsContact O-N 3.13Å
161K37.3Very low37.7Very low205 Ų205149.7 Ų149.789%0.89179%0.791SS**  trans-73.7125.4-179.5175.1178.2-178.4173.10111.5
162K38.5Very low38.2Very low185 Ų185150.5 Ų150.580%0.80479%0.791SS**  trans-176.9123.5142.2-106.9168.6-179.4-176.90114.2
163T38.1Very low38.6Very low124 Ų124151.8 Ų151.876%0.76179%0.791SS**  trans50109.6138540000119.1
164K34.6Very low38.7Very low215 Ų215151.1 Ų151.194%0.93579%0.785SS**  77.3117.175.7-159.3-177.1-173.3-176.10113.7
165G36.9Very low39Very low62 Ų62149.1 Ų149.164%0.63978%0.784SS**  trans143.795172.500000109.4
166D38.2Very low39.4Very low146 Ų146148.2 Ų148.278%0.78178%0.776SS**  71.7111.398.1-86.6-48.2000112.4
167N36.8Very low39.5Very low125 Ų125146.3 Ų146.367%0.66878%0.776SS**  65.2132.6109.4-87.116.3000111.7
168E38.2Very low39.2Very low142 Ų142141.1 Ų141.166%0.66477%0.771SS**  cis-178.1137.231.3-107.9154.6-162.300102.9
169D40.5Very low39.3Very low142 Ų142138.2 Ų138.276%0.75977%0.766SS**  108.3155.1106.3-81-19.7000112.3
170D41.1Very low39.3Very low144 Ų144136.3 Ų136.377%0.7776%0.76SS**  trans72.2139.2166.4-95.623.2000118.8
171D46.2Very low39.5Very low113 Ų113140.2 Ų140.260%0.60476%0.764SS**  cis178151-17.6-131.4-12000104.8
172N41.9Very low39.8Very low137 Ų137134.6 Ų134.673%0.73375%0.75SS**  trans63.9149.2149.2-68.5-45.8000118.8
173D40.9Very low40.2Very low151 Ų151137.7 Ų137.781%0.80776%0.757SS**  cis-160.7167.26.8-1652.1000107.3
174A38.6Very low40.4Very low81 Ų81138.8 Ų138.867%0.66976%0.758SS**  trans-79.3166.5-171.700000116.5
175N43.3Very low40.8Very low158 Ų158133 Ų13385%0.84575%0.745SS**  118.8140.3126.4-141.339.4000117.6
176P42.2Very low41.1Very low91 Ų91135.7 Ų135.759%0.59175%0.751SS**  trans-104.8156.8-172.639.4-28.3000113.8
177N38.4Very low41Very low169 Ų169135.2 Ų135.290%0.90475%0.753SS**  trans151145.1142.6-90.8-17.4000112.2
178G35.9Very low41.3Very low74 Ų74137.5 Ų137.576%0.76377%0.765SS**  trans109.9109.9139.500000117.7
179D41.8Very low41.2Very low150 Ų150134.5 Ų134.580%0.80277%0.765SS**  122.8144.9110.4-142.20.5000118
180E38.1Very low41Very low176 Ų176135 Ų13582%0.82277%0.767SS**  trans-73.3162.3-155.5-59.9168.312900116.1
181N42.8Very low41.2Very low155 Ų155137.2 Ų137.283%0.82977%0.773SS**  -171.4108120.6-149.49.6000115.1
182S42.5Very low40.8Very low87 Ų87139.6 Ų139.661%0.60879%0.786SS**  trans36.4134.1130.5-163.20000124
183R47.1Very low40.8Very low250 Ų250140.3 Ų140.394%0.94379%0.79SS**  -167.9112.6121.6-99161.5-176.5-172.21.6114.6
184N43.2Very low41.1Very low146 Ų146142.4 Ų142.478%0.78180%0.795SS**  trans-27.3163.3160.3-91.130.9000118.9
185S43.3Very low41.4Very low94 Ų94146.3 Ų146.366%0.65780%0.804SS**  cis178.1-174.219.1-107.10000108
186P42.8Very low41.7Very low118 Ų118145.2 Ų145.277%0.76680%0.799SS**  cis-135.5173.8-33.135.8-15.3000115.1
187V36.3Very low42.2Very low136 Ų136146.9 Ų146.982%0.82480%0.802SS**  trans-56147.8178-101.70000117.9
188N42.5Very low43.2Very low174 Ų174150 Ų15093%0.9380%0.801SS**  trans-137.8140.4147.5-91.3-36.3000109.3
189A35.9Very low44Very low79 Ų79153.1 Ų153.165%0.65380%0.8SS**  trans-98.3162.4-173.200000112.2
190D37.4Very low44.8Very low152 Ų152152.2 Ų152.281%0.81379%0.791SS**  trans71.9108.7161.6-51.9-42.1000117
191E43.8Very low45.8Very low190 Ų190148.3 Ų148.389%0.88878%0.776SS**  -176134124.1-96.3164.7-167.800109.8D193E191-D193 PolarHBondContact O-N 3.43Å
192D37.2Very low47.1Very low163 Ų163145.8 Ų145.887%0.87277%0.766SS**  trans-54.5123.9179.7-60.6-74.4000112.1
193D43.9Very low48.7Very low153 Ų153145.1 Ų145.182%0.81876%0.758SS**  trans-140.3123.2158.2-88.5-43.8000108.4E191 D195E191-D193 PolarHBondContact O-N 3.43Å; D193-D195 PolarHBondContact O-N 2.91Å
194E45.3Very low49.7Very low194 Ų194136.1 Ų136.191%0.90773%0.727SS**  trans-51.5108.7176.7-66.7169150.400109.6D196E194-D196 PolarHBondContact O-N 3.01Å
195D45.8Very low51Low164 Ų164136 Ų13688%0.87772%0.722SS**  trans-63.589.4169.6-88.5-36.4000108.4D193 D197D193-D195 PolarHBondContact O-N 2.91Å; D195-D197 PolarHBondContact O-N 3.34Å
196D49Very low52.2Low135 Ų135132.3 Ų132.372%0.72270%0.698SS**  trans-59.7101.5167.9-145.40.4000106.6E194 W198E194-D196 PolarHBondContact O-N 3.01Å; D196-W198 VanDerWaalsContact C-N 3.34Å; D196-W198 PolarHBondContact O-N 3.31Å
197D52.3Low53.4Low125 Ų125131.8 Ų131.867%0.66868%0.68SS**  trans-66.688.3-172.9-167.413.5000110.3D195 L199D195-D197 PolarHBondContact O-N 3.34Å; D197-L199 PolarHBondContact O-N 2.83Å; D197-L199 WeakPolarHBondContact OD1-CB 3.32Å; D197-L199 WeakPolarHBondContact OD1-CD1 3.48Å
198W60.1Low54.9Low234 Ų234131.1 Ų131.189%0.88666%0.663SS**  trans-69.613.7175.9-83.190.2000113.5D196 E200D196-W198 VanDerWaalsContact C-N 3.34Å; D196-W198 PolarHBondContact O-N 3.31Å; W198-E200 PolarHBondContact O-N 3.03Å; W198-E200 VanDerWaalsContact O-N 3.14Å
199L53.6Low56.3Low141 Ų141128.7 Ų128.774%0.73865%0.646SS**  trans-80.292.3172.6-79.6160.7000110.2D197 D201D197-L199 PolarHBondContact O-N 2.83Å; D197-L199 WeakPolarHBondContact OD1-CB 3.32Å; D197-L199 WeakPolarHBondContact OD1-CD1 3.48Å; L199-D201 PolarHBondContact O-N 2.9Å; L199-D201 VanDerWaalsContact O-N 3.1Å
200E58.8Low57.8Low130 Ų130129.3 Ų129.361%0.60763%0.631SS**  trans-59.6115.6171.6-156.8173.6-176.900109.9W198 T202 R210W198-E200 PolarHBondContact O-N 3.03Å; W198-E200 VanDerWaalsContact O-N 3.14Å; E200-T202 WeakPolarHBondContact O-CG2 3.39Å; E200-T202 PolarHBondContact O-N 3.24Å; E200-R210 IonicContact OE1-CZ 3.33Å; E200-R210 IonicContact OE1-NE 2.72Å; E200-R210 IonicContact OE1-NH1 3.61Å; E200-R210 PolarHBondContact OE1-NH1 3.37Å; E200-R210 IonicContact OE2-NH1 3.91Å; E200-R210 PolarHBondContact OE2-NH1 3.42Å
201D58.7Low59.2Low95 Ų95124.1 Ų124.151%0.50860%0.603SS.*  trans-54.5107.9-172.8-165.6-14.1000111L199 T203 A206 R210L199-D201 PolarHBondContact O-N 2.9Å; L199-D201 VanDerWaalsContact O-N 3.1Å; D201-T203 VanDerWaalsContact C-N 3.29Å; D201-T203 VanDerWaalsContact CG-OG1 3.28Å; D201-T203 WeakPolarHBondContact OD1-CB 3.36Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.41Å; D201-T203 PolarHBondContact OD1-N 2.94Å; D201-T203 VanDerWaalsContact OD1-N 3.14Å; D201-T203 PolarHBondContact OD1-OG1 2.96Å; D201-T203 PolarHBondContact OD2-OG1 3.42Å; D201-A206 HydrophobicContact CB-CB 3.93Å; D201-A206 WeakPolarHBondContact O-CB 3.37Å; D201-R210 PolarHBondContact O-NH2 2.97Å
202T68.9Low60.5Low101 Ų101120.2 Ų120.262%0.6259%0.589SS**  trans-90.25.8-176.5530000112.5E200 R207E200-T202 WeakPolarHBondContact O-CG2 3.39Å; E200-T202 PolarHBondContact O-N 3.24Å; T202-R207 PolarHBondContact O-NH1 3.12Å; T202-R207 VanDerWaalsContact O-NH1 3.15Å
203T77Confident62.2Low73 Ų73118.3 Ų118.345%0.44858%0.583SS.*SBendtrans-55.9145.1172.153.90000110.6D201 E205 A206 R207D201-T203 VanDerWaalsContact C-N 3.29Å; D201-T203 VanDerWaalsContact CG-OG1 3.28Å; D201-T203 WeakPolarHBondContact OD1-CB 3.36Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.41Å; D201-T203 PolarHBondContact OD1-N 2.94Å; D201-T203 VanDerWaalsContact OD1-N 3.14Å; D201-T203 PolarHBondContact OD1-OG1 2.96Å; D201-T203 PolarHBondContact OD2-OG1 3.42Å; T203-E205 PolarHBondContact O-N 2.85Å; T203-E205 VanDerWaalsContact O-N 3.13Å; T203-A206 PolarHBondContact O-N 3.21Å; T203-A206 VanDerWaalsContact O-N 3.09Å; T203-A206 WeakPolarHBondContact OG1-CB 3.28Å; T203-R207 PolarHBondContact O-N 2.99Å
204E67.7Low63.3Low61 Ų61114.6 Ų114.629%0.28556%0.562SS.*Hα-helixtrans-56.6-32.8-176.8177.256.5-165.500112.3R207 R208E204-R207 IonicContact OE2-CZ 3.92Å; E204-R207 IonicContact OE2-NE 3.98Å; E204-R207 PolarHBondContact OE2-NE 3.11Å; E204-R207 IonicContact OE2-NH2 2.91Å; E204-R207 PolarHBondContact OE2-NH2 3.15Å; E204-R208 WeakPolarHBondContact O-CB 3.35Å; E204-R208 VanDerWaalsContact O-CG 3.28Å; E204-R208 WeakPolarHBondContact O-CG 3.5Å; E204-R208 PolarHBondContact O-N 3.03Å; E204-R208 IonicContact OE1-CZ 2.97Å; E204-R208 IonicContact OE1-NE 2.91Å; E204-R208 PolarHBondContact OE1-NE 3.28Å; E204-R208 IonicContact OE1-NH2 3.08Å; E204-R208 PolarHBondContact OE1-NH2 2.99Å
205E70.9Confident64.6Low143 Ų143109.4 Ų109.467%0.66855%0.548SS*.Hα-helixtrans-71.9-42178.4-161.9162-170.100112.4T203 R208 Q209T203-E205 PolarHBondContact O-N 2.85Å; T203-E205 VanDerWaalsContact O-N 3.13Å; E205-R208 PolarHBondContact O-N 2.93Å; E205-Q209 WeakPolarHBondContact O-CG 3.41Å; E205-Q209 PolarHBondContact O-N 2.94Å
206A67Low65.5Low18 Ų18104.7 Ų104.715%0.14953%0.532CS..Hα-helixtrans-67.1-36.9175.100000112.3D201 T203 Q209 R210D201-A206 HydrophobicContact CB-CB 3.93Å; D201-A206 WeakPolarHBondContact O-CB 3.37Å; T203-A206 PolarHBondContact O-N 3.21Å; T203-A206 VanDerWaalsContact O-N 3.09Å; T203-A206 WeakPolarHBondContact OG1-CB 3.28Å; A206-Q209 PolarHBondContact O-N 3.19Å; A206-R210 PolarHBondContact O-N 3.3Å; A206-R210 VanDerWaalsContact O-N 3.08Å
207R68.4Low66Low106 Ų106105.3 Ų105.340%0.453%0.532SS..Hα-helixtrans-64.3-43.7172-68.7-168-60.8-135.26.5111.9T202 T203 E204 Q209 R210 I211T202-R207 PolarHBondContact O-NH1 3.12Å; T202-R207 VanDerWaalsContact O-NH1 3.15Å; T203-R207 PolarHBondContact O-N 2.99Å; E204-R207 IonicContact OE2-CZ 3.92Å; E204-R207 IonicContact OE2-NE 3.98Å; E204-R207 PolarHBondContact OE2-NE 3.11Å; E204-R207 IonicContact OE2-NH2 2.91Å; E204-R207 PolarHBondContact OE2-NH2 3.15Å; R207-Q209 PolarHBondContact O-N 2.92Å; R207-R210 PolarHBondContact O-N 3.42Å; R207-I211 WeakPolarHBondContact O-CG1 3.3Å; R207-I211 PolarHBondContact O-N 3.09Å
208R69.4Low66.7Low122 Ų122101.2 Ų101.246%0.4652%0.515SS..Hα-helixtrans-62.5-40175.8-78.4177.1-171.8176.73.8112.8E204 E205 I211 N212E204-R208 WeakPolarHBondContact O-CB 3.35Å; E204-R208 VanDerWaalsContact O-CG 3.28Å; E204-R208 WeakPolarHBondContact O-CG 3.5Å; E204-R208 PolarHBondContact O-N 3.03Å; E204-R208 IonicContact OE1-CZ 2.97Å; E204-R208 IonicContact OE1-NE 2.91Å; E204-R208 PolarHBondContact OE1-NE 3.28Å; E204-R208 IonicContact OE1-NH2 3.08Å; E204-R208 PolarHBondContact OE1-NH2 2.99Å; E205-R208 PolarHBondContact O-N 2.93Å; R208-I211 PolarHBondContact O-N 3Å; R208-N212 VanDerWaalsContact O-CB 3.3Å; R208-N212 WeakPolarHBondContact O-CB 3.48Å; R208-N212 VanDerWaalsContact O-CG 3.24Å; R208-N212 PolarHBondContact O-N 3.4Å; R208-N212 PolarHBondContact O-ND2 3.01Å
209Q70.1Confident66.8Low123 Ų12393 Ų9358%0.57549%0.486SS*.Hα-helixtrans-64.3-42.7176.2-72.2179.414.700111.5E205 A206 R207 I211 N212 T213E205-Q209 WeakPolarHBondContact O-CG 3.41Å; E205-Q209 PolarHBondContact O-N 2.94Å; A206-Q209 PolarHBondContact O-N 3.19Å; R207-Q209 PolarHBondContact O-N 2.92Å; Q209-I211 PolarHBondContact O-N 3.28Å; Q209-N212 PolarHBondContact O-N 3.01Å; Q209-T213 WeakPolarHBondContact O-CG2 3.38Å; Q209-T213 PolarHBondContact O-N 3.07Å; Q209-T213 VanDerWaalsContact O-N 3.17Å
210R69.1Low67.1Low92 Ų9289.2 Ų89.235%0.34747%0.471SS..Hα-helixtrans-61.8-40.7173.6-77.3-172.9-85164.1-6.1112.7E200 D201 A206 R207 N212 T213E200-R210 IonicContact OE1-CZ 3.33Å; E200-R210 IonicContact OE1-NE 2.72Å; E200-R210 IonicContact OE1-NH1 3.61Å; E200-R210 PolarHBondContact OE1-NH1 3.37Å; E200-R210 IonicContact OE2-NH1 3.91Å; E200-R210 PolarHBondContact OE2-NH1 3.42Å; D201-R210 PolarHBondContact O-NH2 2.97Å; A206-R210 PolarHBondContact O-N 3.3Å; A206-R210 VanDerWaalsContact O-N 3.08Å; R207-R210 PolarHBondContact O-N 3.42Å; R210-N212 VanDerWaalsContact C-N 3.31Å; R210-N212 PolarHBondContact O-N 2.8Å; R210-T213 PolarHBondContact O-N 3.34Å; R210-T213 PolarHBondContact O-OG1 3.36Å
211I67Low67.1Low43 Ų4389.6 Ų89.622%0.22148%0.477CS..Hα-helixtrans-67.7-35.5175.6-66165.6000110.6R207 R208 Q209 T213 L214 K219R207-I211 WeakPolarHBondContact O-CG1 3.3Å; R207-I211 PolarHBondContact O-N 3.09Å; R208-I211 PolarHBondContact O-N 3Å; Q209-I211 PolarHBondContact O-N 3.28Å; I211-T213 VanDerWaalsContact C-N 3.33Å; I211-T213 PolarHBondContact O-N 3.39Å; I211-L214 WeakPolarHBondContact O-CB 3.48Å; I211-L214 PolarHBondContact O-N 3.45Å; I211-K219 HydrophobicContact CG2-CG 4.49Å; I211-K219 WeakPolarHBondContact O-CE 3.39Å; I211-K219 WeakPolarHBondContact O-CG 3.41Å
212N69.4Low67.1Low109 Ų10986.5 Ų86.558%0.58346%0.464SS*.Hα-helixtrans-69.2-24.8179.8-80.1-20.6000114.4R208 Q209 R210 L214 K219R208-N212 VanDerWaalsContact O-CB 3.3Å; R208-N212 WeakPolarHBondContact O-CB 3.48Å; R208-N212 VanDerWaalsContact O-CG 3.24Å; R208-N212 PolarHBondContact O-N 3.4Å; R208-N212 PolarHBondContact O-ND2 3.01Å; Q209-N212 PolarHBondContact O-N 3.01Å; R210-N212 VanDerWaalsContact C-N 3.31Å; R210-N212 PolarHBondContact O-N 2.8Å; N212-L214 VanDerWaalsContact C-N 3.34Å; N212-K219 WeakPolarHBondContact O-CE 3.43Å; N212-K219 PolarHBondContact O-NZ 3.39Å
213T73.1Confident66.5Low122 Ų12289.1 Ų89.175%0.74847%0.474SS*.THydrogen-bonded Turntrans-81.5-11.3175.357.80000113.5Q209 R210 I211Q209-T213 WeakPolarHBondContact O-CG2 3.38Å; Q209-T213 PolarHBondContact O-N 3.07Å; Q209-T213 VanDerWaalsContact O-N 3.17Å; R210-T213 PolarHBondContact O-N 3.34Å; R210-T213 PolarHBondContact O-OG1 3.36Å; I211-T213 VanDerWaalsContact C-N 3.33Å; I211-T213 PolarHBondContact O-N 3.39Å
214L66.8Low65.5Low75 Ų7586.1 Ų86.139%0.39346%0.455SS..SBendtrans-71.5150.8177.5-67.1172.8000112.6I211 N212 A218 K219 A222I211-L214 WeakPolarHBondContact O-CB 3.48Å; I211-L214 PolarHBondContact O-N 3.45Å; N212-L214 VanDerWaalsContact C-N 3.34Å; L214-A218 HydrophobicContact CB-CB 3.93Å; L214-A218 HydrophobicContact CD1-CB 4.43Å; L214-A218 HydrophobicContact CD2-CB 4.3Å; L214-A218 HydrophobicContact CG-CB 4.46Å; L214-K219 HydrophobicContact CB-CG 4.05Å; L214-K219 WeakPolarHBondContact O-CE 3.35Å; L214-A222 HydrophobicContact CD1-CB 4.38Å
215S72.6Confident65.4Low85 Ų8586.7 Ų86.759%0.59446%0.46SS*.  trans-56148.2168.6167.40000111M217 A218 K219S215-M217 PolarHBondContact O-N 3.34Å; S215-M217 VanDerWaalsContact O-N 3.07Å; S215-A218 CarbonylContact O-C 3.58Å; S215-A218 WeakPolarHBondContact O-CA 3.32Å; S215-A218 WeakPolarHBondContact O-CB 3.37Å; S215-A218 PolarHBondContact O-N 2.81Å; S215-K219 PolarHBondContact O-N 3.16Å
216A64.6Low65.1Low66 Ų6681.2 Ų81.255%0.54544%0.436SS..Hα-helixtrans-52.2-34.5-179.400000113.4K219 S220A216-K219 PolarHBondContact O-N 2.79Å; A216-S220 PolarHBondContact O-N 3.11Å
217M60.9Low65.1Low147 Ų14782.9 Ų82.972%0.72444%0.444SS*.Hα-helixtrans-70.9-36.3175.8-167171.9-173.300112.3S215 S220 L221S215-M217 PolarHBondContact O-N 3.34Å; S215-M217 VanDerWaalsContact O-N 3.07Å; M217-S220 PolarHBondContact O-N 3.49Å; M217-L221 VanDerWaalsContact O-CD1 3.26Å; M217-L221 WeakPolarHBondContact O-CD1 3.33Å; M217-L221 PolarHBondContact O-N 2.8Å
218A65.6Low65Low39 Ų3985.8 Ų85.832%0.32246%0.462SS..Hα-helixtrans-73.6-32.8175.500000112L214 S215 S220 L221 A222L214-A218 HydrophobicContact CB-CB 3.93Å; L214-A218 HydrophobicContact CD1-CB 4.43Å; L214-A218 HydrophobicContact CD2-CB 4.3Å; L214-A218 HydrophobicContact CG-CB 4.46Å; S215-A218 CarbonylContact O-C 3.58Å; S215-A218 WeakPolarHBondContact O-CA 3.32Å; S215-A218 WeakPolarHBondContact O-CB 3.37Å; S215-A218 PolarHBondContact O-N 2.81Å; A218-S220 VanDerWaalsContact C-N 3.3Å; A218-S220 PolarHBondContact O-N 3.45Å; A218-L221 PolarHBondContact O-N 3.26Å; A218-A222 WeakPolarHBondContact O-CB 3.36Å; A218-A222 PolarHBondContact O-N 3.49Å
219K63.6Low65.2Low63 Ų6383.8 Ų83.827%0.27446%0.455SS..Hα-helixtrans-62.8-34.4171.4-72.8176.6173.2172.20113.2I211 N212 L214 S215 A216 L221I211-K219 HydrophobicContact CG2-CG 4.49Å; I211-K219 WeakPolarHBondContact O-CE 3.39Å; I211-K219 WeakPolarHBondContact O-CG 3.41Å; N212-K219 WeakPolarHBondContact O-CE 3.43Å; N212-K219 PolarHBondContact O-NZ 3.39Å; L214-K219 HydrophobicContact CB-CG 4.05Å; L214-K219 WeakPolarHBondContact O-CE 3.35Å; S215-K219 PolarHBondContact O-N 3.16Å; A216-K219 PolarHBondContact O-N 2.79Å; K219-L221 VanDerWaalsContact C-N 3.33Å
220S59.8Low65.8Low60 Ų6080.3 Ų80.342%0.4244%0.444SS..Hα-helixtrans-72.1-25.8175.7-1790000113.2A216 M217 A218A216-S220 PolarHBondContact O-N 3.11Å; M217-S220 PolarHBondContact O-N 3.49Å; A218-S220 VanDerWaalsContact C-N 3.3Å; A218-S220 PolarHBondContact O-N 3.45Å
221L59.2Low66.2Low138 Ų13881.7 Ų81.772%0.72345%0.454SS*.Hα-helixtrans-94.7-24178.1-9190.6000113.3M217 A218 K219 L223M217-L221 VanDerWaalsContact O-CD1 3.26Å; M217-L221 WeakPolarHBondContact O-CD1 3.33Å; M217-L221 PolarHBondContact O-N 2.8Å; A218-L221 PolarHBondContact O-N 3.26Å; K219-L221 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.17Å
222A58.1Low66.8Low30 Ų3084 Ų8425%0.24847%0.47CS..SBendtrans-65.5120.7173.400000108.4L214 A218 C224L214-A222 HydrophobicContact CD1-CB 4.38Å; A218-A222 WeakPolarHBondContact O-CB 3.36Å; A218-A222 PolarHBondContact O-N 3.49Å; A222-C224 VanDerWaalsContact C-N 3.28Å; A222-C224 PolarHBondContact O-N 3.31Å; A222-C224 PolarHBondContact O-SG 3.11Å; A222-C224 VanDerWaalsContact O-SG 3.42Å
223L55.2Low67.4Low157 Ų15783.2 Ų83.282%0.82246%0.463SS*.  trans-54.895.4169-72.6160.5000107.8L221L221-L223 PolarHBondContact O-N 3.17Å
224C57.6Low67.9Low9 Ų979 Ų796%0.06143%0.433CS..  trans-83.8128.2170.6-65.30000106.2A222 D226 V227 R264A222-C224 VanDerWaalsContact C-N 3.28Å; A222-C224 PolarHBondContact O-N 3.31Å; A222-C224 PolarHBondContact O-SG 3.11Å; A222-C224 VanDerWaalsContact O-SG 3.42Å; C224-D226 HydrophobicContact CB-CB 4.47Å; C224-D226 PolarHBondContact O-N 3.22Å; C224-V227 PolarHBondContact O-N 3.01Å; C224-R264 PolarHBondContact SG-NH1 3.48Å
225D64.4Low68.7Low73 Ų7376.5 Ų76.539%0.3942%0.424SS..G310 helixtrans-50.9-17.9175.7-63.3-4.9000113.1V227 E228D225-V227 VanDerWaalsContact C-N 3.27Å; D225-V227 PolarHBondContact O-N 3.2Å; D225-E228 PolarHBondContact O-N 3.21Å
226D66.1Low69.3Low28 Ų2876.6 Ų76.615%0.1542%0.418CS..G310 helixtrans-61.5-28.5173.8-61.2-35.4000113.5C224 E228 R229 R234 I237 R264 L265C224-D226 HydrophobicContact CB-CB 4.47Å; C224-D226 PolarHBondContact O-N 3.22Å; D226-E228 VanDerWaalsContact C-N 3.31Å; D226-R229 WeakPolarHBondContact O-CB 3.45Å; D226-R229 PolarHBondContact O-N 3.32Å; D226-R229 IonicContact OD1-CZ 3.74Å; D226-R229 IonicContact OD1-NE 3.54Å; D226-R229 IonicContact OD1-NH1 3.88Å; D226-R229 PolarHBondContact OD1-NH1 3.03Å; D226-R229 IonicContact OD1-NH2 2.94Å; D226-R229 PolarHBondContact OD1-NH2 3.16Å; D226-R234 WeakPolarHBondContact O-CD 3.33Å; D226-R234 WeakPolarHBondContact O-CG 3.39Å; D226-I237 HydrophobicContact CB-CD1 4.3Å; D226-R264 IonicContact OD2-CZ 3.35Å; D226-R264 IonicContact OD2-NH1 2.76Å; D226-R264 IonicContact OD2-NH2 3.49Å; D226-R264 PolarHBondContact OD2-NH2 3.1Å; D226-L265 HydrophobicContact CB-CD2 3.93Å
227V66.6Low70.3Confident53 Ų5375.2 Ų75.232%0.32140%0.401SS..G310 helixtrans-73.8-26.7179.5-176.60000111.6C224 D225 R229 R234 R264C224-V227 PolarHBondContact O-N 3.01Å; D225-V227 VanDerWaalsContact C-N 3.27Å; D225-V227 PolarHBondContact O-N 3.2Å; V227-R229 VanDerWaalsContact C-N 3.28Å; V227-R234 PolarHBondContact O-NH1 3.39Å; V227-R264 WeakPolarHBondContact CG2-O 3.43Å
228E66.4Low71.5Confident167 Ų16768.2 Ų68.278%0.7837%0.366SS*.G310 helixtrans-79.4-11177.3-59.3-171.3166.100113D225 D226D225-E228 PolarHBondContact O-N 3.21Å; D226-E228 VanDerWaalsContact C-N 3.31Å
229R73.3Confident72.5Confident81 Ų8170.1 Ų70.131%0.30637%0.366SS..SBendtrans-71.9162175.4-67-167-169.6136.421.5112.1D226 V227 E233 R234 I237D226-R229 WeakPolarHBondContact O-CB 3.45Å; D226-R229 PolarHBondContact O-N 3.32Å; D226-R229 IonicContact OD1-CZ 3.74Å; D226-R229 IonicContact OD1-NE 3.54Å; D226-R229 IonicContact OD1-NH1 3.88Å; D226-R229 PolarHBondContact OD1-NH1 3.03Å; D226-R229 IonicContact OD1-NH2 2.94Å; D226-R229 PolarHBondContact OD1-NH2 3.16Å; V227-R229 VanDerWaalsContact C-N 3.28Å; R229-E233 HydrophobicContact CB-CB 4.07Å; R229-E233 WeakPolarHBondContact CB-OE2 3.43Å; R229-E233 WeakPolarHBondContact CD-OE2 3.43Å; R229-R234 HydrophobicContact CB-CG 4.32Å; R229-R234 VanDerWaalsContact O-CD 3.29Å; R229-R234 WeakPolarHBondContact O-CD 3.48Å; R229-I237 VanDerWaalsContact NH1-CD1 3.28Å
230S81.4Confident73.6Confident50 Ų5073.4 Ų73.435%0.3538%0.38SS..  trans-58.6153.4176.365.20000111.4T232 E233 R234S230-T232 PolarHBondContact O-N 3.22Å; S230-T232 PolarHBondContact OG-OG1 3.04Å; S230-E233 PolarHBondContact O-N 3.38Å; S230-E233 WeakPolarHBondContact OG-CB 3.41Å; S230-E233 WeakPolarHBondContact OG-CG 3.21Å; S230-E233 PolarHBondContact OG-N 2.66Å; S230-E233 PolarHBondContact OG-OE1 3.17Å; S230-R234 WeakPolarHBondContact O-CG 3.45Å; S230-R234 PolarHBondContact O-N 3.28Å
231E78.5Confident74.8Confident121 Ų12173.4 Ų73.457%0.56537%0.373SS*.Hα-helixtrans-58.8-33.9-178.5-63.5-173155.200112.5A235 R270E231-A235 PolarHBondContact O-N 3.29Å; E231-R270 IonicContact OE1-NH1 3.01Å; E231-R270 IonicContact OE2-CZ 2.86Å; E231-R270 IonicContact OE2-NH1 3.98Å; E231-R270 PolarHBondContact OE2-NH1 3.07Å; E231-R270 IonicContact OE2-NH2 2.83Å
232T80.1Confident76Confident91 Ų9166.9 Ų66.956%0.55834%0.339SS*.Hα-helixtrans-68-46.1176.647.60000111.6S230 R234 A235 D236S230-T232 PolarHBondContact O-N 3.22Å; S230-T232 PolarHBondContact OG-OG1 3.04Å; T232-R234 VanDerWaalsContact C-N 3.3Å; T232-R234 PolarHBondContact O-N 2.91Å; T232-A235 WeakPolarHBondContact O-CB 3.21Å; T232-A235 PolarHBondContact O-N 3.47Å; T232-A235 VanDerWaalsContact O-N 3.12Å; T232-D236 PolarHBondContact O-N 2.94Å
233E82.2Confident77.2Confident92 Ų9266.7 Ų66.743%0.4334%0.336SS..Hα-helixtrans-62.8-38.2176.5-74.9167.7-153.500112R229 S230 A235 D236 I237R229-E233 HydrophobicContact CB-CB 4.07Å; R229-E233 WeakPolarHBondContact CB-OE2 3.43Å; R229-E233 WeakPolarHBondContact CD-OE2 3.43Å; S230-E233 PolarHBondContact O-N 3.38Å; S230-E233 WeakPolarHBondContact OG-CB 3.41Å; S230-E233 WeakPolarHBondContact OG-CG 3.21Å; S230-E233 PolarHBondContact OG-N 2.66Å; S230-E233 PolarHBondContact OG-OE1 3.17Å; E233-A235 VanDerWaalsContact C-N 3.34Å; E233-D236 PolarHBondContact O-N 2.93Å; E233-I237 WeakPolarHBondContact O-CD1 3.4Å; E233-I237 VanDerWaalsContact O-CG1 3.22Å; E233-I237 WeakPolarHBondContact O-CG1 3.3Å; E233-I237 PolarHBondContact O-N 2.9Å
234R83.8Confident78.6Confident33 Ų3365.3 Ų65.313%0.12533%0.325CS..Hα-helixtrans-62.9-41.6173.8-73.1163.660.2173.5-7.2111.4D226 V227 R229 S230 T232 I237 F238 L265 S266 L267D226-R234 WeakPolarHBondContact O-CD 3.33Å; D226-R234 WeakPolarHBondContact O-CG 3.39Å; V227-R234 PolarHBondContact O-NH1 3.39Å; R229-R234 HydrophobicContact CB-CG 4.32Å; R229-R234 VanDerWaalsContact O-CD 3.29Å; R229-R234 WeakPolarHBondContact O-CD 3.48Å; S230-R234 WeakPolarHBondContact O-CG 3.45Å; S230-R234 PolarHBondContact O-N 3.28Å; T232-R234 VanDerWaalsContact C-N 3.3Å; T232-R234 PolarHBondContact O-N 2.91Å; R234-I237 PolarHBondContact O-N 3.12Å; R234-F238 PolarHBondContact O-N 3.2Å; R234-F238 VanDerWaalsContact O-N 3.11Å; R234-L265 PolarHBondContact NE-O 3.04Å; R234-L265 VanDerWaalsContact NH2-C 3.28Å; R234-L265 PolarHBondContact NH2-O 3.01Å; R234-S266 VanDerWaalsContact NH2-C 3.27Å; R234-S266 VanDerWaalsContact NH2-CA 3.33Å; R234-S266 PolarHBondContact NH2-O 3.11Å; R234-S266 PolarHBondContact NH2-OG 2.96Å; R234-L267 HydrophobicContact CB-CD2 3.93Å
235A82.9Confident79.7Confident23 Ų2365.8 Ų65.819%0.1933%0.327CS..Hα-helixtrans-64.2-39.2174.900000111.9E231 T232 E233 F238 Y239 L267 V274E231-A235 PolarHBondContact O-N 3.29Å; T232-A235 WeakPolarHBondContact O-CB 3.21Å; T232-A235 PolarHBondContact O-N 3.47Å; T232-A235 VanDerWaalsContact O-N 3.12Å; E233-A235 VanDerWaalsContact C-N 3.34Å; A235-F238 PolarHBondContact O-N 2.78Å; A235-Y239 WeakPolarHBondContact O-CB 3.46Å; A235-Y239 PolarHBondContact O-N 2.79Å; A235-L267 HydrophobicContact CB-CD2 4.27Å; A235-V274 HydrophobicContact CB-CG2 4.03Å
236D84.8Confident80.4Confident87 Ų8765.5 Ų65.547%0.46532%0.323SS..Hα-helixtrans-65.6-39.3176.9-75.6-19.5000112.9T232 E233 F238 Y239 K240T232-D236 PolarHBondContact O-N 2.94Å; E233-D236 PolarHBondContact O-N 2.93Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-Y239 PolarHBondContact O-N 3.5Å; D236-K240 WeakPolarHBondContact O-CG 3.35Å; D236-K240 PolarHBondContact O-N 3.47Å
237I85.6Confident81Confident37 Ų3772.8 Ų72.819%0.1935%0.353CS..Hα-helixtrans-61.6-47.3174.7-66.4162000109.4D226 R229 E233 R234 Y239 K240 H241 L265D226-I237 HydrophobicContact CB-CD1 4.3Å; R229-I237 VanDerWaalsContact NH1-CD1 3.28Å; E233-I237 WeakPolarHBondContact O-CD1 3.4Å; E233-I237 VanDerWaalsContact O-CG1 3.22Å; E233-I237 WeakPolarHBondContact O-CG1 3.3Å; E233-I237 PolarHBondContact O-N 2.9Å; R234-I237 PolarHBondContact O-N 3.12Å; I237-Y239 PolarHBondContact O-N 3.39Å; I237-K240 PolarHBondContact O-N 3.3Å; I237-H241 PolarHBondContact O-N 3.49Å; I237-L265 HydrophobicContact CB-CD1 4.42Å; I237-L265 HydrophobicContact CG2-CD1 4.1Å; I237-L265 HydrophobicContact CG2-CD2 4.36Å
238F87.2Confident81.5Confident0 Ų074.3 Ų74.30%037%0.365CS..Hα-helixtrans-63.5-41.1177.4-172.8-119.8000112.2R234 A235 D236 K240 H241 L242 V258 E261 A262 L265 L267 A271 V274 I275R234-F238 PolarHBondContact O-N 3.2Å; R234-F238 VanDerWaalsContact O-N 3.11Å; A235-F238 PolarHBondContact O-N 2.78Å; D236-F238 VanDerWaalsContact C-N 3.33Å; F238-K240 PolarHBondContact O-N 3.05Å; F238-H241 PolarHBondContact O-N 2.94Å; F238-L242 HydrophobicContact CD1-CD1 3.73Å; F238-L242 HydrophobicContact CD1-CG 4.43Å; F238-L242 HydrophobicContact CD2-CG 4.49Å; F238-L242 HydrophobicContact CE1-CD1 3.31Å; F238-L242 HydrophobicContact CE1-CG 4.13Å; F238-L242 HydrophobicContact CE2-CD1 4.24Å; F238-L242 HydrophobicContact CE2-CG 4.17Å; F238-L242 HydrophobicContact CG-CD1 4.36Å; F238-L242 HydrophobicContact CZ-CD1 3.59Å; F238-L242 HydrophobicContact CZ-CD2 4.32Å; F238-L242 HydrophobicContact CZ-CG 3.98Å; F238-L242 WeakPolarHBondContact O-CB 3.36Å; F238-L242 WeakPolarHBondContact O-CG 3.46Å; F238-L242 PolarHBondContact O-N 2.89Å; F238-V258 HydrophobicContact CE2-CG1 4.2Å; F238-V258 HydrophobicContact CZ-CG1 3.9Å; F238-E261 HydrophobicContact CD2-CB 4.49Å; F238-E261 HydrophobicContact CD2-CG 4.15Å; F238-E261 HydrophobicContact CE2-CB 4.36Å; F238-E261 HydrophobicContact CE2-CG 4.5Å; F238-A262 HydrophobicContact CE2-CB 3.85Å; F238-A262 HydrophobicContact CZ-CB 3.83Å; F238-L265 HydrophobicContact CB-CD1 3.77Å; F238-L265 HydrophobicContact CD2-CD1 4.28Å; F238-L265 HydrophobicContact CG-CD1 4.45Å; F238-L267 HydrophobicContact CB-CD1 3.49Å; F238-L267 VanDerWaalsContact CB-CD1 3.49Å; F238-L267 HydrophobicContact CD1-CD1 3.65Å; F238-L267 HydrophobicContact CD2-CD1 4.29Å; F238-L267 HydrophobicContact CE1-CD1 4.42Å; F238-L267 HydrophobicContact CG-CD1 3.57Å; F238-A271 HydrophobicContact CE1-CB 4.1Å; F238-V274 HydrophobicContact CD1-CB 3.88Å; F238-V274 HydrophobicContact CD1-CG1 3.77Å; F238-V274 HydrophobicContact CD1-CG2 4.37Å; F238-V274 HydrophobicContact CE1-CB 4.26Å; F238-V274 HydrophobicContact CE1-CG1 4.42Å; F238-I275 HydrophobicContact CE1-CD1 4.32Å; F238-I275 HydrophobicContact CE1-CG1 3.92Å; F238-I275 HydrophobicContact CZ-CD1 4.29Å; F238-I275 HydrophobicContact CZ-CG1 4.18Å
239Y86.7Confident81.8Confident80 Ų8071.1 Ų71.131%0.31435%0.353SS..Hα-helixtrans-58.8-45.5174.9178.7-90.7000111.7A235 D236 I237 L242 S243 V274 E277 V278A235-Y239 WeakPolarHBondContact O-CB 3.46Å; A235-Y239 PolarHBondContact O-N 2.79Å; D236-Y239 PolarHBondContact O-N 3.5Å; I237-Y239 PolarHBondContact O-N 3.39Å; Y239-L242 PolarHBondContact O-N 3.26Å; Y239-S243 WeakPolarHBondContact CE1-OG 3.37Å; Y239-S243 WeakPolarHBondContact O-CB 3.48Å; Y239-S243 PolarHBondContact O-N 3.38Å; Y239-S243 PolarHBondContact O-OG 2.86Å; Y239-V274 HydrophobicContact CD2-CG1 4.03Å; Y239-V274 HydrophobicContact CG-CG1 4.39Å; Y239-E277 HydrophobicContact CE2-CG 4.32Å; Y239-V278 HydrophobicContact CD2-CG2 3.26Å; Y239-V278 HydrophobicContact CE2-CG2 3.35Å; Y239-V278 HydrophobicContact CG-CG2 4.1Å
240K86.6Confident82Confident132 Ų13273.2 Ų73.257%0.57437%0.365SS*.Hα-helixtrans-63.3-43.5176.9-74.1170-174.2167.50111.3D236 I237 F238 S243 Q244D236-K240 WeakPolarHBondContact O-CG 3.35Å; D236-K240 PolarHBondContact O-N 3.47Å; I237-K240 PolarHBondContact O-N 3.3Å; F238-K240 PolarHBondContact O-N 3.05Å; K240-S243 PolarHBondContact O-N 3.05Å; K240-Q244 VanDerWaalsContact O-CG 3.3Å; K240-Q244 WeakPolarHBondContact O-CG 3.34Å; K240-Q244 PolarHBondContact O-N 2.94Å
241H83.9Confident81.8Confident60 Ų6070.9 Ų70.928%0.27835%0.348SS..Hα-helixtrans-61.9-50.4177.6-172.370.8000111.5I237 F238 S243 Q244 M245I237-H241 PolarHBondContact O-N 3.49Å; F238-H241 PolarHBondContact O-N 2.94Å; H241-S243 PolarHBondContact O-N 3.45Å; H241-Q244 PolarHBondContact O-N 3.49Å; H241-M245 PolarHBondContact NE2-SD 3.43Å; H241-M245 VanDerWaalsContact NE2-SD 3.43Å; H241-M245 WeakPolarHBondContact O-CG 3.18Å; H241-M245 PolarHBondContact O-N 3.43Å
242L85.1Confident81.6Confident1 Ų167.6 Ų67.61%0.00533%0.334CS..Hα-helixtrans-60.5-42.9176.4-79.5178.2000112.5F238 Y239 Q244 M245 H246 V258 V274 I275 V278F238-L242 HydrophobicContact CD1-CD1 3.73Å; F238-L242 HydrophobicContact CD1-CG 4.43Å; F238-L242 HydrophobicContact CD2-CG 4.49Å; F238-L242 HydrophobicContact CE1-CD1 3.31Å; F238-L242 HydrophobicContact CE1-CG 4.13Å; F238-L242 HydrophobicContact CE2-CD1 4.24Å; F238-L242 HydrophobicContact CE2-CG 4.17Å; F238-L242 HydrophobicContact CG-CD1 4.36Å; F238-L242 HydrophobicContact CZ-CD1 3.59Å; F238-L242 HydrophobicContact CZ-CD2 4.32Å; F238-L242 HydrophobicContact CZ-CG 3.98Å; F238-L242 WeakPolarHBondContact O-CB 3.36Å; F238-L242 WeakPolarHBondContact O-CG 3.46Å; F238-L242 PolarHBondContact O-N 2.89Å; Y239-L242 PolarHBondContact O-N 3.26Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 3.26Å; L242-M245 PolarHBondContact O-N 2.84Å; L242-H246 VanDerWaalsContact O-CB 3.3Å; L242-H246 WeakPolarHBondContact O-CB 3.46Å; L242-H246 PolarHBondContact O-N 3Å; L242-V258 HydrophobicContact CD2-CB 4.49Å; L242-V258 HydrophobicContact CD2-CG1 3.66Å; L242-V258 HydrophobicContact CD2-CG2 4.01Å; L242-V274 HydrophobicContact CD1-CG1 4.24Å; L242-I275 HydrophobicContact CD1-CB 4.5Å; L242-I275 HydrophobicContact CD1-CG1 3.71Å; L242-V278 HydrophobicContact CB-CB 4.42Å; L242-V278 HydrophobicContact CB-CG1 4.13Å; L242-V278 HydrophobicContact CB-CG2 4.1Å; L242-V278 HydrophobicContact CD1-CG2 4.49Å
243S84.1Confident81.6Confident25 Ų2566.9 Ų66.918%0.17534%0.338CS..Hα-helixtrans-61.8-38.6177.9-67.90000112.1Y239 K240 H241 K247Y239-S243 WeakPolarHBondContact CE1-OG 3.37Å; Y239-S243 WeakPolarHBondContact O-CB 3.48Å; Y239-S243 PolarHBondContact O-N 3.38Å; Y239-S243 PolarHBondContact O-OG 2.86Å; K240-S243 PolarHBondContact O-N 3.05Å; H241-S243 PolarHBondContact O-N 3.45Å; S243-K247 WeakPolarHBondContact O-CG 3.22Å; S243-K247 PolarHBondContact O-N 3.43Å; S243-K247 VanDerWaalsContact O-N 3.11Å
244Q82.7Confident81.5Confident128 Ų12864.6 Ų64.660%0.59833%0.329SS*.Hα-helixtrans-66.1-44.8174.1-72.9173.92.300111.4K240 H241 L242 H246 K247 C248K240-Q244 VanDerWaalsContact O-CG 3.3Å; K240-Q244 WeakPolarHBondContact O-CG 3.34Å; K240-Q244 PolarHBondContact O-N 2.94Å; H241-Q244 PolarHBondContact O-N 3.49Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 3.26Å; Q244-H246 VanDerWaalsContact C-N 3.32Å; Q244-H246 PolarHBondContact O-N 3.02Å; Q244-K247 PolarHBondContact O-N 3.12Å; Q244-C248 PolarHBondContact O-N 3.47Å
245M81.2Confident81.4Confident20 Ų2067.8 Ų67.810%0.09934%0.341CS..Hα-helixtrans-64.7-36.9177.2-67.1-178.180.700112.8H241 L242 C248 D249 K250 V251 N254 V258H241-M245 PolarHBondContact NE2-SD 3.43Å; H241-M245 VanDerWaalsContact NE2-SD 3.43Å; H241-M245 WeakPolarHBondContact O-CG 3.18Å; H241-M245 PolarHBondContact O-N 3.43Å; L242-M245 PolarHBondContact O-N 2.84Å; M245-C248 CarbonylContact O-C 3.5Å; M245-C248 PolarHBondContact O-N 2.86Å; M245-D249 PolarHBondContact O-N 3.43Å; M245-K250 PolarHBondContact O-N 3.02Å; M245-V251 HydrophobicContact CB-CG2 3.93Å; M245-N254 HydrophobicContact CE-CB 3.35Å; M245-V258 HydrophobicContact CE-CG2 3.88Å; M245-V258 HydrophobicContact SD-CG2 3.86Å
246H79.9Confident81.4Confident66 Ų6674 Ų7431%0.30636%0.364SS..Hα-helixtrans-66.5-41.3178.1-172.168.9000111.6L242 Q244 C248 D249 V251 V278 L279 Y293L242-H246 VanDerWaalsContact O-CB 3.3Å; L242-H246 WeakPolarHBondContact O-CB 3.46Å; L242-H246 PolarHBondContact O-N 3Å; Q244-H246 VanDerWaalsContact C-N 3.32Å; Q244-H246 PolarHBondContact O-N 3.02Å; H246-C248 PolarHBondContact O-N 3.31Å; H246-D249 PolarHBondContact O-N 3.21Å; H246-V251 HydrophobicContact CB-CG2 4.11Å; H246-V278 HydrophobicContact CB-CG1 4.18Å; H246-L279 WeakPolarHBondContact ND1-CD2 3.49Å; H246-Y293 PolarHBondContact CE1-OH 3.32Å; H246-Y293 PolarHBondContact ND1-OH 3.28Å
247K78.5Confident81.4Confident181 Ų18174.8 Ų74.879%0.78736%0.364SS*.Hα-helixtrans-59-29.5172.8-74.3174.5-176.8-178.20113.1S243 Q244S243-K247 WeakPolarHBondContact O-CG 3.22Å; S243-K247 PolarHBondContact O-N 3.43Å; S243-K247 VanDerWaalsContact O-N 3.11Å; Q244-K247 PolarHBondContact O-N 3.12Å
248C76.5Confident81.3Confident85 Ų8573 Ų7357%0.57436%0.355SS*.THydrogen-bonded Turntrans-91.91.1176.9-63.70000114.2Q244 M245 H246 K250Q244-C248 PolarHBondContact O-N 3.47Å; M245-C248 CarbonylContact O-C 3.5Å; M245-C248 PolarHBondContact O-N 2.86Å; H246-C248 PolarHBondContact O-N 3.31Å; C248-K250 HydrophobicContact CB-CD 4.35Å; C248-K250 HydrophobicContact CB-CG 4.26Å; C248-K250 PolarHBondContact O-N 3.36Å; C248-K250 VanDerWaalsContact O-N 3.1Å
249D73.8Confident81.2Confident100 Ų10075 Ų7554%0.53536%0.364SS..THydrogen-bonded Turntrans50.627.1-173.7-156.924.4000114.3M245 H246 K292M245-D249 PolarHBondContact O-N 3.43Å; H246-D249 PolarHBondContact O-N 3.21Å; D249-K292 IonicContact OD1-NZ 3.94Å; D249-K292 PolarHBondContact OD1-NZ 2.84Å; D249-K292 IonicContact OD2-NZ 3.09Å
250K77.9Confident81.1Confident125 Ų12575.4 Ų75.454%0.54337%0.371SS..  trans-95.32.2-178.3-72.7-178.3-176.6179.40114.1M245 C248 L252 A253 N254M245-K250 PolarHBondContact O-N 3.02Å; C248-K250 HydrophobicContact CB-CD 4.35Å; C248-K250 HydrophobicContact CB-CG 4.26Å; C248-K250 PolarHBondContact O-N 3.36Å; C248-K250 VanDerWaalsContact O-N 3.1Å; K250-L252 VanDerWaalsContact C-N 3.35Å; K250-L252 PolarHBondContact O-N 3.01Å; K250-A253 PolarHBondContact O-N 3.23Å; K250-N254 PolarHBondContact O-N 3.19Å; K250-N254 PolarHBondContact O-OD1 3.24Å
251V75.8Confident80.9Confident1 Ų170.6 Ų70.61%0.00635%0.351CS..THydrogen-bonded Turntrans-57.6-44.5-172.8-179.90000112.2M245 H246 N254 R255 L279 Y293 L296M245-V251 HydrophobicContact CB-CG2 3.93Å; H246-V251 HydrophobicContact CB-CG2 4.11Å; V251-N254 CarbonylContact O-C 3.49Å; V251-N254 PolarHBondContact O-N 3.41Å; V251-R255 PolarHBondContact O-N 3.24Å; V251-R255 VanDerWaalsContact O-N 3.11Å; V251-L279 HydrophobicContact CG1-CD2 4.32Å; V251-L279 HydrophobicContact CG2-CD2 4.48Å; V251-Y293 HydrophobicContact CB-CE1 4.22Å; V251-Y293 HydrophobicContact CG1-CD1 4.43Å; V251-Y293 HydrophobicContact CG1-CE1 4.21Å; V251-L296 HydrophobicContact CG1-CD2 3.82Å
252L75.6Confident80.9Confident52 Ų5267.8 Ų67.827%0.27234%0.338SS..THydrogen-bonded Turntrans-71.8-37.4-178.6-70.4176.9000113.3K250 N254 R255 K292 Y293K250-L252 VanDerWaalsContact C-N 3.35Å; K250-L252 PolarHBondContact O-N 3.01Å; L252-N254 VanDerWaalsContact C-N 3.28Å; L252-N254 PolarHBondContact O-N 3.04Å; L252-R255 PolarHBondContact O-NH1 3.48Å; L252-K292 HydrophobicContact CD1-CG 3.89Å; L252-K292 WeakPolarHBondContact CD2-O 3.44Å; L252-Y293 HydrophobicContact CD2-CD1 3.68Å; L252-Y293 HydrophobicContact CD2-CE1 4.23Å; L252-Y293 HydrophobicContact CG-CD1 4.02Å; L252-Y293 HydrophobicContact CG-CE1 4.04Å
253A78.5Confident80.9Confident76 Ų7671.6 Ų71.663%0.62836%0.358SS*.THydrogen-bonded Turntrans-64-39.3177.300000110.6K250K250-A253 PolarHBondContact O-N 3.23Å
254N81.2Confident80.8Confident44 Ų4472.8 Ų72.824%0.23536%0.359CS..THydrogen-bonded Turntrans-104.723.8-173.5-6650.2000112.4M245 K250 V251 L252 K256 E257 V258M245-N254 HydrophobicContact CE-CB 3.35Å; K250-N254 PolarHBondContact O-N 3.19Å; K250-N254 PolarHBondContact O-OD1 3.24Å; V251-N254 CarbonylContact O-C 3.49Å; V251-N254 PolarHBondContact O-N 3.41Å; L252-N254 VanDerWaalsContact C-N 3.28Å; L252-N254 PolarHBondContact O-N 3.04Å; N254-K256 PolarHBondContact O-N 3.42Å; N254-E257 HydrophobicContact CB-CB 4.33Å; N254-E257 HydrophobicContact CB-CG 4.43Å; N254-E257 PolarHBondContact ND2-OE1 2.94Å; N254-E257 PolarHBondContact ND2-OE2 3.32Å; N254-E257 WeakPolarHBondContact O-CA 3.42Å; N254-E257 WeakPolarHBondContact O-CB 3.48Å; N254-E257 PolarHBondContact O-N 3.4Å; N254-V258 PolarHBondContact O-N 3.28Å; N254-V258 VanDerWaalsContact O-N 3.12Å
255R82.2Confident80.7Confident100 Ų10066.8 Ų66.838%0.37733%0.33SS..Hα-helixtrans-52.3-30.3-178.465.9-176179.4-77.21.7114.8V251 L252 K259 L296 L299V251-R255 PolarHBondContact O-N 3.24Å; V251-R255 VanDerWaalsContact O-N 3.11Å; L252-R255 PolarHBondContact O-NH1 3.48Å; R255-K259 PolarHBondContact O-N 2.93Å; R255-L296 HydrophobicContact CB-CD1 3.72Å; R255-L299 HydrophobicContact CB-CD1 3.78Å; R255-L299 HydrophobicContact CG-CD1 3.66Å
256K82Confident80.7Confident155 Ų15569.1 Ų69.167%0.67435%0.349SS*.Hα-helixtrans-71.5-39175.4-67.6-175.2178.8-177.80112.1N254 V258 K259 L260N254-K256 PolarHBondContact O-N 3.42Å; K256-V258 VanDerWaalsContact C-N 3.32Å; K256-K259 PolarHBondContact O-N 3.18Å; K256-L260 WeakPolarHBondContact O-CG 3.42Å; K256-L260 PolarHBondContact O-N 3Å
257E83.7Confident80.5Confident102 Ų10266.9 Ų66.948%0.47734%0.339SS..Hα-helixtrans-66.4-38.1176.3-63.5175.9-172.700110.7N254 K259 L260 E261N254-E257 HydrophobicContact CB-CB 4.33Å; N254-E257 HydrophobicContact CB-CG 4.43Å; N254-E257 PolarHBondContact ND2-OE1 2.94Å; N254-E257 PolarHBondContact ND2-OE2 3.32Å; N254-E257 WeakPolarHBondContact O-CA 3.42Å; N254-E257 WeakPolarHBondContact O-CB 3.48Å; N254-E257 PolarHBondContact O-N 3.4Å; E257-K259 VanDerWaalsContact C-N 3.33Å; E257-K259 PolarHBondContact O-N 2.99Å; E257-L260 PolarHBondContact O-N 3.26Å; E257-E261 WeakPolarHBondContact O-CB 3.23Å; E257-E261 PolarHBondContact O-N 3.34Å
258V84.6Confident80.7Confident0 Ų060.1 Ų60.10%032%0.321CS..Hα-helixtrans-59-44.7173.7176.20000111.5F238 L242 M245 N254 K256 E261 A262 L296 F300F238-V258 HydrophobicContact CE2-CG1 4.2Å; F238-V258 HydrophobicContact CZ-CG1 3.9Å; L242-V258 HydrophobicContact CD2-CB 4.49Å; L242-V258 HydrophobicContact CD2-CG1 3.66Å; L242-V258 HydrophobicContact CD2-CG2 4.01Å; M245-V258 HydrophobicContact CE-CG2 3.88Å; M245-V258 HydrophobicContact SD-CG2 3.86Å; N254-V258 PolarHBondContact O-N 3.28Å; N254-V258 VanDerWaalsContact O-N 3.12Å; K256-V258 VanDerWaalsContact C-N 3.32Å; V258-E261 PolarHBondContact O-N 3.31Å; V258-A262 PolarHBondContact O-N 3.4Å; V258-L296 HydrophobicContact CB-CD1 4.06Å; V258-L296 HydrophobicContact CG1-CD1 4.01Å; V258-L296 HydrophobicContact CG2-CD1 4.5Å; V258-F300 HydrophobicContact CG1-CE2 4.27Å; V258-F300 HydrophobicContact CG1-CZ 4.19Å
259K84.6Confident80.9Confident43 Ų4357.2 Ų57.219%0.18730%0.301CS..Hα-helixtrans-63.7-45.7175.3-172.6-179.6177.475.20111.3R255 K256 E257 E261 A262 D263 L299 F300 S303R255-K259 PolarHBondContact O-N 2.93Å; K256-K259 PolarHBondContact O-N 3.18Å; E257-K259 VanDerWaalsContact C-N 3.33Å; E257-K259 PolarHBondContact O-N 2.99Å; K259-E261 VanDerWaalsContact C-N 3.3Å; K259-E261 PolarHBondContact O-N 3.05Å; K259-A262 PolarHBondContact O-N 3.43Å; K259-D263 WeakPolarHBondContact O-CB 3.27Å; K259-D263 VanDerWaalsContact O-CG 3.24Å; K259-D263 PolarHBondContact O-N 3.27Å; K259-L299 HydrophobicContact CD-CB 4.43Å; K259-L299 PolarHBondContact NZ-O 3.13Å; K259-F300 HydrophobicContact CB-CZ 4.22Å; K259-F300 HydrophobicContact CG-CE1 4.45Å; K259-F300 HydrophobicContact CG-CZ 4.48Å; K259-S303 PolarHBondContact NZ-O 3.08Å; K259-S303 VanDerWaalsContact NZ-O 3.07Å
260L84.2Confident81.3Confident87 Ų8758.1 Ų58.146%0.45530%0.297SS..Hα-helixtrans-60.7-38.4177.8-73.3169.3000112.5K256 E257 D263 R264K256-L260 WeakPolarHBondContact O-CG 3.42Å; K256-L260 PolarHBondContact O-N 3Å; E257-L260 PolarHBondContact O-N 3.26Å; L260-D263 PolarHBondContact O-N 3.2Å; L260-R264 VanDerWaalsContact O-CB 3.29Å; L260-R264 WeakPolarHBondContact O-CB 3.28Å; L260-R264 PolarHBondContact O-N 2.63Å
261E83.2Confident81.7Confident32 Ų3252.1 Ų52.115%0.1527%0.271CS..Hα-helixtrans-70.8-39.6177.8-170.661.5-158.600111.6F238 E257 V258 K259 D263 R264 L265F238-E261 HydrophobicContact CD2-CB 4.49Å; F238-E261 HydrophobicContact CD2-CG 4.15Å; F238-E261 HydrophobicContact CE2-CB 4.36Å; F238-E261 HydrophobicContact CE2-CG 4.5Å; E257-E261 WeakPolarHBondContact O-CB 3.23Å; E257-E261 PolarHBondContact O-N 3.34Å; V258-E261 PolarHBondContact O-N 3.31Å; K259-E261 VanDerWaalsContact C-N 3.3Å; K259-E261 PolarHBondContact O-N 3.05Å; E261-D263 VanDerWaalsContact C-N 3.32Å; E261-D263 PolarHBondContact O-N 3.43Å; E261-R264 VanDerWaalsContact CD-NE 3.33Å; E261-R264 PolarHBondContact O-N 2.91Å; E261-R264 IonicContact OE1-CZ 3.42Å; E261-R264 VanDerWaalsContact OE1-CZ 3.27Å; E261-R264 IonicContact OE1-NE 3.54Å; E261-R264 PolarHBondContact OE1-NE 3.39Å; E261-R264 IonicContact OE1-NH2 2.79Å; E261-R264 PolarHBondContact OE1-NH2 3.2Å; E261-R264 IonicContact OE2-CZ 2.88Å; E261-R264 IonicContact OE2-NE 2.79Å; E261-R264 PolarHBondContact OE2-NE 2.7Å; E261-L265 HydrophobicContact CG-CD1 4.21Å; E261-L265 WeakPolarHBondContact O-CB 3.43Å; E261-L265 WeakPolarHBondContact O-CG 3.44Å; E261-L265 PolarHBondContact O-N 2.82Å
262A84.7Confident82.2Confident1 Ų152.1 Ų52.11%0.00827%0.271CS..Hα-helixtrans-63.1-38.6172.800000112.3F238 V258 K259 L265 S266 L267 A271 F300F238-A262 HydrophobicContact CE2-CB 3.85Å; F238-A262 HydrophobicContact CZ-CB 3.83Å; V258-A262 PolarHBondContact O-N 3.4Å; K259-A262 PolarHBondContact O-N 3.43Å; A262-L265 CarbonylContact O-C 3.6Å; A262-S266 PolarHBondContact O-N 3.02Å; A262-L267 PolarHBondContact O-N 3.13Å; A262-A271 HydrophobicContact CB-CB 3.9Å; A262-F300 HydrophobicContact CB-CE1 3.68Å; A262-F300 HydrophobicContact CB-CZ 4Å
263D84.2Confident82.7Confident80 Ų8051.5 Ų51.543%0.42827%0.268SS..Hα-helixtrans-70.6-40.4176-68.1-19.7000110.8K259 L260 E261 L265 S266K259-D263 WeakPolarHBondContact O-CB 3.27Å; K259-D263 VanDerWaalsContact O-CG 3.24Å; K259-D263 PolarHBondContact O-N 3.27Å; L260-D263 PolarHBondContact O-N 3.2Å; E261-D263 VanDerWaalsContact C-N 3.32Å; E261-D263 PolarHBondContact O-N 3.43Å; D263-L265 VanDerWaalsContact C-N 3.33Å; D263-L265 PolarHBondContact O-N 3.05Å; D263-S266 WeakPolarHBondContact O-CA 3.38Å; D263-S266 PolarHBondContact O-N 2.99Å
264R81.7Confident83Confident51 Ų5148.6 Ų48.619%0.19224%0.242CC..Hα-helixtrans-57.2-45.9173-175.2-179.887.8100.16.7111.1C224 D226 V227 L260 E261 S266C224-R264 PolarHBondContact SG-NH1 3.48Å; D226-R264 IonicContact OD2-CZ 3.35Å; D226-R264 IonicContact OD2-NH1 2.76Å; D226-R264 IonicContact OD2-NH2 3.49Å; D226-R264 PolarHBondContact OD2-NH2 3.1Å; V227-R264 WeakPolarHBondContact CG2-O 3.43Å; L260-R264 VanDerWaalsContact O-CB 3.29Å; L260-R264 WeakPolarHBondContact O-CB 3.28Å; L260-R264 PolarHBondContact O-N 2.63Å; E261-R264 VanDerWaalsContact CD-NE 3.33Å; E261-R264 PolarHBondContact O-N 2.91Å; E261-R264 IonicContact OE1-CZ 3.42Å; E261-R264 VanDerWaalsContact OE1-CZ 3.27Å; E261-R264 IonicContact OE1-NE 3.54Å; E261-R264 PolarHBondContact OE1-NE 3.39Å; E261-R264 IonicContact OE1-NH2 2.79Å; E261-R264 PolarHBondContact OE1-NH2 3.2Å; E261-R264 IonicContact OE2-CZ 2.88Å; E261-R264 IonicContact OE2-NE 2.79Å; E261-R264 PolarHBondContact OE2-NE 2.7Å; R264-S266 PolarHBondContact O-N 3.19Å
265L81.5Confident83.3Confident1 Ų146.5 Ų46.51%0.00523%0.231CC..THydrogen-bonded Turntrans-83.79.7176.6-65.4169000112.7D226 R234 I237 F238 E261 A262 D263 L267D226-L265 HydrophobicContact CB-CD2 3.93Å; R234-L265 PolarHBondContact NE-O 3.04Å; R234-L265 VanDerWaalsContact NH2-C 3.28Å; R234-L265 PolarHBondContact NH2-O 3.01Å; I237-L265 HydrophobicContact CB-CD1 4.42Å; I237-L265 HydrophobicContact CG2-CD1 4.1Å; I237-L265 HydrophobicContact CG2-CD2 4.36Å; F238-L265 HydrophobicContact CB-CD1 3.77Å; F238-L265 HydrophobicContact CD2-CD1 4.28Å; F238-L265 HydrophobicContact CG-CD1 4.45Å; E261-L265 HydrophobicContact CG-CD1 4.21Å; E261-L265 WeakPolarHBondContact O-CB 3.43Å; E261-L265 WeakPolarHBondContact O-CG 3.44Å; E261-L265 PolarHBondContact O-N 2.82Å; A262-L265 CarbonylContact O-C 3.6Å; D263-L265 VanDerWaalsContact C-N 3.33Å; D263-L265 PolarHBondContact O-N 3.05Å; L265-L267 HydrophobicContact CB-CD1 4.15Å; L265-L267 HydrophobicContact CB-CG 4Å; L265-L267 HydrophobicContact CD1-CD1 4.44Å; L265-L267 PolarHBondContact O-N 3.13Å
266S80.4Confident83.4Confident69 Ų6941.8 Ų41.848%0.48321%0.213SC..THydrogen-bonded Turntrans34.644.2-177.9-3.30000114.9R234 A262 D263 R264 G268R234-S266 VanDerWaalsContact NH2-C 3.27Å; R234-S266 VanDerWaalsContact NH2-CA 3.33Å; R234-S266 PolarHBondContact NH2-O 3.11Å; R234-S266 PolarHBondContact NH2-OG 2.96Å; A262-S266 PolarHBondContact O-N 3.02Å; D263-S266 WeakPolarHBondContact O-CA 3.38Å; D263-S266 PolarHBondContact O-N 2.99Å; R264-S266 PolarHBondContact O-N 3.19Å; S266-G268 PolarHBondContact O-N 2.91Å
267L76.7Confident83.4Confident19 Ų1937.9 Ų37.910%0.09920%0.197CC..  trans-75.5-15.9-178.1-71.7171000112.4R234 A235 F238 A262 L265 R270 A271R234-L267 HydrophobicContact CB-CD2 3.93Å; A235-L267 HydrophobicContact CB-CD2 4.27Å; F238-L267 HydrophobicContact CB-CD1 3.49Å; F238-L267 VanDerWaalsContact CB-CD1 3.49Å; F238-L267 HydrophobicContact CD1-CD1 3.65Å; F238-L267 HydrophobicContact CD2-CD1 4.29Å; F238-L267 HydrophobicContact CE1-CD1 4.42Å; F238-L267 HydrophobicContact CG-CD1 3.57Å; A262-L267 PolarHBondContact O-N 3.13Å; L265-L267 HydrophobicContact CB-CD1 4.15Å; L265-L267 HydrophobicContact CB-CG 4Å; L265-L267 HydrophobicContact CD1-CD1 4.44Å; L265-L267 PolarHBondContact O-N 3.13Å; L267-R270 WeakPolarHBondContact O-CB 3.3Å; L267-R270 PolarHBondContact O-N 3.34Å; L267-A271 HydrophobicContact CB-CB 3.96Å
268G81.5Confident83.4Confident39 Ų3933 Ų3340%0.40218%0.175SC..G310 helixtrans53.6-133.5178.400000112.3S266 R270 A271S266-G268 PolarHBondContact O-N 2.91Å; G268-R270 VanDerWaalsContact C-N 3.26Å; G268-R270 PolarHBondContact O-N 3.1Å; G268-A271 WeakPolarHBondContact O-CB 3.22Å; G268-A271 PolarHBondContact O-N 3.45Å
269P80.8Confident83.2Confident25 Ų2533.3 Ų33.316%0.16218%0.176CC..G310 helixtrans-71.8-18.9-177.130.9-35.9000113.5A271 V272 R309 A310 Y313P269-A271 PolarHBondContact O-N 3.34Å; P269-V272 PolarHBondContact O-N 3.31Å; P269-R309 HydrophobicContact CB-CB 4.41Å; P269-A310 HydrophobicContact CB-CB 4.05Å; P269-Y313 HydrophobicContact CB-CD2 3.73Å; P269-Y313 HydrophobicContact CB-CE2 4.11Å; P269-Y313 HydrophobicContact CG-CD2 4.11Å; P269-Y313 HydrophobicContact CG-CE2 3.97Å
270R82.4Confident82.9Confident118 Ų11831.3 Ų31.345%0.44517%0.167SC..G310 helixtrans-69.7-21.1177.9-72.9-178.6164.7141.3-14.1112.8E231 L267 G268 V272 L273 Y313E231-R270 IonicContact OE1-NH1 3.01Å; E231-R270 IonicContact OE2-CZ 2.86Å; E231-R270 IonicContact OE2-NH1 3.98Å; E231-R270 PolarHBondContact OE2-NH1 3.07Å; E231-R270 IonicContact OE2-NH2 2.83Å; L267-R270 WeakPolarHBondContact O-CB 3.3Å; L267-R270 PolarHBondContact O-N 3.34Å; G268-R270 VanDerWaalsContact C-N 3.26Å; G268-R270 PolarHBondContact O-N 3.1Å; R270-V272 PolarHBondContact O-N 2.97Å; R270-V272 VanDerWaalsContact O-N 3.09Å; R270-L273 WeakPolarHBondContact O-CB 3.29Å; R270-L273 PolarHBondContact O-N 3.44Å; R270-Y313 HydrophobicContact CG-CE1 4.32Å
271A85.8Confident82.2Confident0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-52.7-33.5174.300000112.1F238 A262 L267 G268 P269 L273 V274 I275 F300F238-A271 HydrophobicContact CE1-CB 4.1Å; A262-A271 HydrophobicContact CB-CB 3.9Å; L267-A271 HydrophobicContact CB-CB 3.96Å; G268-A271 WeakPolarHBondContact O-CB 3.22Å; G268-A271 PolarHBondContact O-N 3.45Å; P269-A271 PolarHBondContact O-N 3.34Å; A271-L273 VanDerWaalsContact C-N 3.32Å; A271-L273 PolarHBondContact O-N 2.92Å; A271-V274 PolarHBondContact O-N 3.01Å; A271-I275 VanDerWaalsContact O-CG1 3.28Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 3.45Å; A271-F300 HydrophobicContact CB-CD1 4.32Å; A271-F300 HydrophobicContact CB-CE1 3.98Å
272V86.3Confident81.7Confident0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-67-31.7179.7-172.10000112.6P269 R270 I275 A276 L297 F300 T314P269-V272 PolarHBondContact O-N 3.31Å; R270-V272 PolarHBondContact O-N 2.97Å; R270-V272 VanDerWaalsContact O-N 3.09Å; V272-I275 PolarHBondContact O-N 3.05Å; V272-A276 WeakPolarHBondContact O-CB 3.44Å; V272-A276 PolarHBondContact O-N 3.38Å; V272-L297 HydrophobicContact CG1-CD2 4.07Å; V272-F300 HydrophobicContact CG2-CB 3.63Å; V272-F300 HydrophobicContact CG2-CD1 4.49Å; V272-F300 HydrophobicContact CG2-CG 4.13Å; V272-T314 HydrophobicContact CG1-CG2 4.1Å; V272-T314 WeakPolarHBondContact CG1-OG1 3.35Å
273L86Confident80.9Confident40 Ų4034.1 Ų34.121%0.20919%0.185CC..Hα-helixtrans-61.5-47.1174.7-61.9179.6000110.7R270 A271 A276 E277 Y313 A317 F364R270-L273 WeakPolarHBondContact O-CB 3.29Å; R270-L273 PolarHBondContact O-N 3.44Å; A271-L273 VanDerWaalsContact C-N 3.32Å; A271-L273 PolarHBondContact O-N 2.92Å; L273-A276 PolarHBondContact O-N 3.11Å; L273-E277 PolarHBondContact O-N 2.95Å; L273-Y313 HydrophobicContact CD1-CD1 3.87Å; L273-Y313 HydrophobicContact CD1-CE1 4.32Å; L273-Y313 HydrophobicContact CD2-CD1 4.05Å; L273-Y313 VanDerWaalsContact CD2-O 3.32Å; L273-Y313 WeakPolarHBondContact CD2-O 3.44Å; L273-Y313 HydrophobicContact CG-CD1 4.02Å; L273-A317 HydrophobicContact CD2-CB 3.73Å; L273-F364 HydrophobicContact CD2-CE1 4.44Å
274V85.9Confident80.2Confident15 Ų1534.9 Ų34.99%0.09120%0.196CC..Hα-helixtrans-66-42.2179.6-173.70000110.8A235 F238 Y239 L242 A271 A276 E277 V278A235-V274 HydrophobicContact CB-CG2 4.03Å; F238-V274 HydrophobicContact CD1-CB 3.88Å; F238-V274 HydrophobicContact CD1-CG1 3.77Å; F238-V274 HydrophobicContact CD1-CG2 4.37Å; F238-V274 HydrophobicContact CE1-CB 4.26Å; F238-V274 HydrophobicContact CE1-CG1 4.42Å; Y239-V274 HydrophobicContact CD2-CG1 4.03Å; Y239-V274 HydrophobicContact CG-CG1 4.39Å; L242-V274 HydrophobicContact CD1-CG1 4.24Å; A271-V274 PolarHBondContact O-N 3.01Å; V274-A276 VanDerWaalsContact C-N 3.31Å; V274-A276 PolarHBondContact O-N 3.44Å; V274-E277 PolarHBondContact O-N 2.8Å; V274-V278 HydrophobicContact CG1-CG2 4.48Å; V274-V278 WeakPolarHBondContact O-CG2 3.32Å; V274-V278 PolarHBondContact O-N 3.29Å
275I86.3Confident80Confident0 Ų034.7 Ų34.70%020%0.201CC..Hα-helixtrans-59-45.8175.6-70.2165.4000110.5F238 L242 A271 V272 V278 L279 L296 L297 F300F238-I275 HydrophobicContact CE1-CD1 4.32Å; F238-I275 HydrophobicContact CE1-CG1 3.92Å; F238-I275 HydrophobicContact CZ-CD1 4.29Å; F238-I275 HydrophobicContact CZ-CG1 4.18Å; L242-I275 HydrophobicContact CD1-CB 4.5Å; L242-I275 HydrophobicContact CD1-CG1 3.71Å; A271-I275 VanDerWaalsContact O-CG1 3.28Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 3.45Å; V272-I275 PolarHBondContact O-N 3.05Å; I275-V278 PolarHBondContact O-N 3.11Å; I275-L279 HydrophobicContact CG2-CD1 3.52Å; I275-L279 HydrophobicContact CG2-CG 4.24Å; I275-L279 VanDerWaalsContact O-CB 3.31Å; I275-L279 WeakPolarHBondContact O-CB 3.38Å; I275-L279 VanDerWaalsContact O-CG 3.27Å; I275-L279 WeakPolarHBondContact O-CG 3.47Å; I275-L279 PolarHBondContact O-N 3.36Å; I275-L296 HydrophobicContact CG2-CD2 3.93Å; I275-L297 HydrophobicContact CG2-CD2 4.22Å; I275-F300 HydrophobicContact CD1-CD2 3.68Å; I275-F300 HydrophobicContact CD1-CE1 4.26Å; I275-F300 HydrophobicContact CD1-CE2 3.29Å; I275-F300 HydrophobicContact CD1-CG 4.32Å; I275-F300 HydrophobicContact CD1-CZ 3.61Å
276A84.5Confident79.9Confident1 Ų134.9 Ų34.91%0.00820%0.202CC..Hα-helixtrans-64.5-41.3-179.700000111.9V272 L273 V274 F280 A317 M318 L321V272-A276 WeakPolarHBondContact O-CB 3.44Å; V272-A276 PolarHBondContact O-N 3.38Å; L273-A276 PolarHBondContact O-N 3.11Å; V274-A276 VanDerWaalsContact C-N 3.31Å; V274-A276 PolarHBondContact O-N 3.44Å; A276-F280 VanDerWaalsContact CA-CD2 3.49Å; A276-F280 HydrophobicContact CB-CD2 3.84Å; A276-F280 HydrophobicContact CB-CE2 4.11Å; A276-F280 VanDerWaalsContact O-CB 3.29Å; A276-F280 WeakPolarHBondContact O-CB 3.1Å; A276-F280 VanDerWaalsContact O-CD2 3.23Å; A276-F280 WeakPolarHBondContact O-CD2 3.46Å; A276-F280 PolarHBondContact O-N 3.43Å; A276-A317 HydrophobicContact CB-CB 3.45Å; A276-A317 VanDerWaalsContact CB-CB 3.45Å; A276-M318 HydrophobicContact CB-CE 3.87Å; A276-L321 HydrophobicContact CB-CD1 4.48Å
277E83.3Confident79.9Confident72 Ų7234.3 Ų34.334%0.33619%0.193SC..Hα-helixtrans-64.2-43.5176.7-174.4169.2-168.100112.4Y239 L273 V274 N281 R324Y239-E277 HydrophobicContact CE2-CG 4.32Å; L273-E277 PolarHBondContact O-N 2.95Å; V274-E277 PolarHBondContact O-N 2.8Å; E277-N281 VanDerWaalsContact O-CG 3.31Å; E277-N281 PolarHBondContact O-ND2 3.49Å; E277-N281 PolarHBondContact O-OD1 2.81Å; E277-R324 IonicContact OE1-CZ 3.2Å; E277-R324 IonicContact OE1-NH1 2.66Å; E277-R324 PolarHBondContact OE1-NH1 2.84Å
278V82.4Confident80.2Confident1 Ų137.7 Ų37.71%0.00621%0.214CC..Hα-helixtrans-70.2-41.6-179.5177.20000112Y239 L242 H246 V274 I275 N281Y239-V278 HydrophobicContact CD2-CG2 3.26Å; Y239-V278 HydrophobicContact CE2-CG2 3.35Å; Y239-V278 HydrophobicContact CG-CG2 4.1Å; L242-V278 HydrophobicContact CB-CB 4.42Å; L242-V278 HydrophobicContact CB-CG1 4.13Å; L242-V278 HydrophobicContact CB-CG2 4.1Å; L242-V278 HydrophobicContact CD1-CG2 4.49Å; H246-V278 HydrophobicContact CB-CG1 4.18Å; V274-V278 HydrophobicContact CG1-CG2 4.48Å; V274-V278 WeakPolarHBondContact O-CG2 3.32Å; V274-V278 PolarHBondContact O-N 3.29Å; I275-V278 PolarHBondContact O-N 3.11Å; V278-N281 PolarHBondContact O-ND2 3.04Å
279L80.6Confident80.3Confident6 Ų637.2 Ų37.23%0.03120%0.203CC..Hα-helixtrans-86.3-29.3-170.9-62.6-178.7000113.4H246 V251 I275 Y293 L296H246-L279 WeakPolarHBondContact ND1-CD2 3.49Å; V251-L279 HydrophobicContact CG1-CD2 4.32Å; V251-L279 HydrophobicContact CG2-CD2 4.48Å; I275-L279 HydrophobicContact CG2-CD1 3.52Å; I275-L279 HydrophobicContact CG2-CG 4.24Å; I275-L279 VanDerWaalsContact O-CB 3.31Å; I275-L279 WeakPolarHBondContact O-CB 3.38Å; I275-L279 VanDerWaalsContact O-CG 3.27Å; I275-L279 WeakPolarHBondContact O-CG 3.47Å; I275-L279 PolarHBondContact O-N 3.36Å; L279-Y293 HydrophobicContact CB-CD2 4.17Å; L279-Y293 HydrophobicContact CB-CE2 4.27Å; L279-Y293 HydrophobicContact CD1-CD1 3.87Å; L279-Y293 HydrophobicContact CD1-CD2 4.07Å; L279-Y293 HydrophobicContact CD1-CE1 4.33Å; L279-Y293 HydrophobicContact CD1-CG 3.74Å; L279-Y293 HydrophobicContact CD2-CD1 4.38Å; L279-Y293 HydrophobicContact CD2-CE1 4.01Å; L279-Y293 HydrophobicContact CD2-CE2 4.15Å; L279-Y293 HydrophobicContact CG-CD2 4.5Å; L279-L296 HydrophobicContact CD1-CD2 3.77Å
280F77.8Confident80.4Confident0 Ų036 Ų360%020%0.195CC..  trans-108.449-174.3-52.2-56.1000112.6A276 N282 I286 D289 I290 Y293 L297 M318 L321A276-F280 VanDerWaalsContact CA-CD2 3.49Å; A276-F280 HydrophobicContact CB-CD2 3.84Å; A276-F280 HydrophobicContact CB-CE2 4.11Å; A276-F280 VanDerWaalsContact O-CB 3.29Å; A276-F280 WeakPolarHBondContact O-CB 3.1Å; A276-F280 VanDerWaalsContact O-CD2 3.23Å; A276-F280 WeakPolarHBondContact O-CD2 3.46Å; A276-F280 PolarHBondContact O-N 3.43Å; F280-N282 VanDerWaalsContact C-N 3.32Å; F280-N282 PolarHBondContact O-N 2.75Å; F280-I286 HydrophobicContact CD1-CG2 4.39Å; F280-D289 HydrophobicContact CD1-CB 3.75Å; F280-D289 HydrophobicContact CE1-CB 3.82Å; F280-I290 HydrophobicContact CD1-CG1 4.24Å; F280-I290 HydrophobicContact CE1-CB 4.32Å; F280-I290 HydrophobicContact CE1-CG1 3.61Å; F280-I290 HydrophobicContact CE2-CG1 4.47Å; F280-I290 HydrophobicContact CZ-CB 4.5Å; F280-I290 HydrophobicContact CZ-CG1 3.74Å; F280-Y293 HydrophobicContact CE1-CD2 4.49Å; F280-L297 HydrophobicContact CZ-CD1 4.24Å; F280-M318 HydrophobicContact CD2-CE 3.59Å; F280-M318 HydrophobicContact CD2-SD 4.43Å; F280-M318 HydrophobicContact CE2-CE 3.55Å; F280-L321 HydrophobicContact CB-CD1 3.64Å; F280-L321 HydrophobicContact CD2-CD1 4.11Å; F280-L321 HydrophobicContact CG-CD1 4.31Å
281N70.7Confident80.5Confident68 Ų6836.5 Ų36.536%0.36420%0.2SC..  trans-75-17.4179.5-82.2-49000114.4E277 V278E277-N281 VanDerWaalsContact O-CG 3.31Å; E277-N281 PolarHBondContact O-ND2 3.49Å; E277-N281 PolarHBondContact O-OD1 2.81Å; V278-N281 PolarHBondContact O-ND2 3.04Å
282N71.9Confident80.5Confident98 Ų9840.6 Ų40.652%0.52422%0.218SC..  trans-113.5111.2-172.5-71.5-49.5000111.8F280 S284 T285 I286F280-N282 VanDerWaalsContact C-N 3.32Å; F280-N282 PolarHBondContact O-N 2.75Å; N282-S284 PolarHBondContact O-N 2.97Å; N282-S284 VanDerWaalsContact O-N 3.15Å; N282-T285 WeakPolarHBondContact CB-OG1 3.29Å; N282-T285 PolarHBondContact O-N 2.95Å; N282-T285 PolarHBondContact O-OG1 3.22Å; N282-I286 WeakPolarHBondContact O-CG1 3.34Å; N282-I286 PolarHBondContact O-N 2.72Å
283P68.1Low80.4Confident14 Ų1440.9 Ų40.99%0.09122%0.219CC..THydrogen-bonded Turntrans-62.8-22.4-175.722.3-33.8000115.3I286 H325 Q328 L330P283-I286 HydrophobicContact CB-CD1 4.48Å; P283-H325 HydrophobicContact CB-CB 4.33Å; P283-Q328 VanDerWaalsContact CB-OE1 3.24Å; P283-L330 HydrophobicContact CB-CD1 4.02Å
284S68.6Low80.3Confident96 Ų9639.7 Ų39.767%0.67121%0.214SC*.THydrogen-bonded Turntrans-79.7-29.1178.4530000113.5N282N282-S284 PolarHBondContact O-N 2.97Å; N282-S284 VanDerWaalsContact O-N 3.15Å
285T78Confident80.2Confident47 Ų4741.9 Ų41.929%0.28823%0.229SC..THydrogen-bonded Turntrans-106.90.2-174.357.30000113.8N282 L287 T288 D289N282-T285 WeakPolarHBondContact CB-OG1 3.29Å; N282-T285 PolarHBondContact O-N 2.95Å; N282-T285 PolarHBondContact O-OG1 3.22Å; T285-L287 PolarHBondContact O-N 2.97Å; T285-L287 VanDerWaalsContact O-N 3.08Å; T285-T288 PolarHBondContact O-N 2.93Å; T285-T288 PolarHBondContact O-OG1 3.28Å; T285-D289 VanDerWaalsContact CB-OD2 3.26Å; T285-D289 WeakPolarHBondContact CB-OD2 3.47Å; T285-D289 WeakPolarHBondContact O-CB 3.41Å; T285-D289 PolarHBondContact O-N 2.94Å; T285-D289 PolarHBondContact OG1-OD2 3.04Å
286I79.5Confident80.1Confident4 Ų441.9 Ų41.92%0.02123%0.229CC..Hα-helixtrans-50.2-44.3-176.5-56.7-176.6000112.2F280 N282 P283 T288 D289 I290 L330 L337F280-I286 HydrophobicContact CD1-CG2 4.39Å; N282-I286 WeakPolarHBondContact O-CG1 3.34Å; N282-I286 PolarHBondContact O-N 2.72Å; P283-I286 HydrophobicContact CB-CD1 4.48Å; I286-T288 VanDerWaalsContact C-N 3.35Å; I286-T288 PolarHBondContact O-N 3.41Å; I286-D289 PolarHBondContact O-N 2.86Å; I286-I290 HydrophobicContact CG2-CD1 3.72Å; I286-I290 HydrophobicContact CG2-CG1 4.17Å; I286-I290 VanDerWaalsContact O-CG1 3.24Å; I286-I290 WeakPolarHBondContact O-CG1 3.26Å; I286-I290 PolarHBondContact O-N 2.88Å; I286-L330 HydrophobicContact CD1-CD1 4.39Å; I286-L330 HydrophobicContact CD1-CD2 3.73Å; I286-L337 HydrophobicContact CB-CD2 4.2Å; I286-L337 HydrophobicContact CG2-CD2 3.44Å; I286-L337 VanDerWaalsContact CG2-CD2 3.44Å
287L80.2Confident80.1Confident57 Ų5741.9 Ų41.930%0.29823%0.229SC..Hα-helixtrans-64.4-37.4-179.6-68.1170.4000113T285 H336 L337 T340T285-L287 PolarHBondContact O-N 2.97Å; T285-L287 VanDerWaalsContact O-N 3.08Å; L287-H336 HydrophobicContact CD2-CB 4.24Å; L287-L337 HydrophobicContact CD2-CD2 3.72Å; L287-L337 HydrophobicContact CD2-CG 4.29Å; L287-L337 HydrophobicContact CG-CD2 4.3Å; L287-T340 WeakPolarHBondContact CD2-OG1 3.44Å
288T83.2Confident80.1Confident90 Ų9040.7 Ų40.755%0.55222%0.224SC*.Hα-helixtrans-75.7-35.9176.147.80000111.5T285 I286 K291 K292T285-T288 PolarHBondContact O-N 2.93Å; T285-T288 PolarHBondContact O-OG1 3.28Å; I286-T288 VanDerWaalsContact C-N 3.35Å; I286-T288 PolarHBondContact O-N 3.41Å; T288-K291 PolarHBondContact O-N 3.31Å; T288-K292 PolarHBondContact O-N 3.4Å
289D83.1Confident80.2Confident29 Ų2942.6 Ų42.616%0.15523%0.234CC..Hα-helixtrans-69.3-40.1-179.3-64.3-27.6000110.8F280 T285 I286 K291 K292 Y293F280-D289 HydrophobicContact CD1-CB 3.75Å; F280-D289 HydrophobicContact CE1-CB 3.82Å; T285-D289 VanDerWaalsContact CB-OD2 3.26Å; T285-D289 WeakPolarHBondContact CB-OD2 3.47Å; T285-D289 WeakPolarHBondContact O-CB 3.41Å; T285-D289 PolarHBondContact O-N 2.94Å; T285-D289 PolarHBondContact OG1-OD2 3.04Å; I286-D289 PolarHBondContact O-N 2.86Å; D289-K291 VanDerWaalsContact C-N 3.27Å; D289-K291 PolarHBondContact O-N 2.93Å; D289-K292 PolarHBondContact O-N 3.36Å; D289-K292 VanDerWaalsContact O-N 3.13Å; D289-Y293 HydrophobicContact CB-CD2 4.31Å; D289-Y293 HydrophobicContact CB-CE2 4.44Å; D289-Y293 WeakPolarHBondContact O-CD2 3.36Å; D289-Y293 PolarHBondContact O-N 3.4Å
290I84Confident80.2Confident0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-58.2-43.9175.3-71.4167.5000110F280 I286 Y293 S294 M318 L337 T340 L341F280-I290 HydrophobicContact CD1-CG1 4.24Å; F280-I290 HydrophobicContact CE1-CB 4.32Å; F280-I290 HydrophobicContact CE1-CG1 3.61Å; F280-I290 HydrophobicContact CE2-CG1 4.47Å; F280-I290 HydrophobicContact CZ-CB 4.5Å; F280-I290 HydrophobicContact CZ-CG1 3.74Å; I286-I290 HydrophobicContact CG2-CD1 3.72Å; I286-I290 HydrophobicContact CG2-CG1 4.17Å; I286-I290 VanDerWaalsContact O-CG1 3.24Å; I286-I290 WeakPolarHBondContact O-CG1 3.26Å; I286-I290 PolarHBondContact O-N 2.88Å; I290-Y293 PolarHBondContact O-N 2.73Å; I290-S294 PolarHBondContact O-N 2.92Å; I290-M318 HydrophobicContact CD1-SD 4.17Å; I290-L337 HydrophobicContact CD1-CD2 3.61Å; I290-T340 HydrophobicContact CB-CG2 4.33Å; I290-T340 HydrophobicContact CG2-CG2 3.91Å; I290-L341 HydrophobicContact CG2-CD2 3.7Å; I290-L341 HydrophobicContact CG2-CG 4.31Å
291K84.9Confident80.2Confident128 Ų12843 Ų4356%0.55724%0.236SC*.Hα-helixtrans-66.1-41.4176.4-67.4-177.2-179.8-172.90111.9T288 D289 Y293 T340T288-K291 PolarHBondContact O-N 3.31Å; D289-K291 VanDerWaalsContact C-N 3.27Å; D289-K291 PolarHBondContact O-N 2.93Å; K291-Y293 PolarHBondContact O-N 3.37Å; K291-T340 HydrophobicContact CD-CG2 4.47Å; K291-T340 HydrophobicContact CG-CG2 3.89Å
292K85.7Confident80.5Confident87 Ų8744.6 Ų44.638%0.37824%0.237SC..Hα-helixtrans-61.7-42.6177.3-177.1178.8178.4-167.30111.6D249 L252 T288 D289D249-K292 IonicContact OD1-NZ 3.94Å; D249-K292 PolarHBondContact OD1-NZ 2.84Å; D249-K292 IonicContact OD2-NZ 3.09Å; L252-K292 HydrophobicContact CD1-CG 3.89Å; L252-K292 WeakPolarHBondContact CD2-O 3.44Å; T288-K292 PolarHBondContact O-N 3.4Å; D289-K292 PolarHBondContact O-N 3.36Å; D289-K292 VanDerWaalsContact O-N 3.13Å
293Y84.5Confident80.3Confident5 Ų542.6 Ų42.62%0.0223%0.231CC..Hα-helixtrans-98.95.3-174.9-62.3-69.3000114.9H246 V251 L252 L279 F280 D289 I290 K291 P295 L296 L297H246-Y293 PolarHBondContact CE1-OH 3.32Å; H246-Y293 PolarHBondContact ND1-OH 3.28Å; V251-Y293 HydrophobicContact CB-CE1 4.22Å; V251-Y293 HydrophobicContact CG1-CD1 4.43Å; V251-Y293 HydrophobicContact CG1-CE1 4.21Å; L252-Y293 HydrophobicContact CD2-CD1 3.68Å; L252-Y293 HydrophobicContact CD2-CE1 4.23Å; L252-Y293 HydrophobicContact CG-CD1 4.02Å; L252-Y293 HydrophobicContact CG-CE1 4.04Å; L279-Y293 HydrophobicContact CB-CD2 4.17Å; L279-Y293 HydrophobicContact CB-CE2 4.27Å; L279-Y293 HydrophobicContact CD1-CD1 3.87Å; L279-Y293 HydrophobicContact CD1-CD2 4.07Å; L279-Y293 HydrophobicContact CD1-CE1 4.33Å; L279-Y293 HydrophobicContact CD1-CG 3.74Å; L279-Y293 HydrophobicContact CD2-CD1 4.38Å; L279-Y293 HydrophobicContact CD2-CE1 4.01Å; L279-Y293 HydrophobicContact CD2-CE2 4.15Å; L279-Y293 HydrophobicContact CG-CD2 4.5Å; F280-Y293 HydrophobicContact CE1-CD2 4.49Å; D289-Y293 HydrophobicContact CB-CD2 4.31Å; D289-Y293 HydrophobicContact CB-CE2 4.44Å; D289-Y293 WeakPolarHBondContact O-CD2 3.36Å; D289-Y293 PolarHBondContact O-N 3.4Å; I290-Y293 PolarHBondContact O-N 2.73Å; K291-Y293 PolarHBondContact O-N 3.37Å; Y293-P295 VanDerWaalsContact C-CD 3.43Å; Y293-P295 VanDerWaalsContact C-N 3.31Å; Y293-L296 WeakPolarHBondContact O-CB 3.42Å; Y293-L296 PolarHBondContact O-N 2.91Å; Y293-L297 PolarHBondContact O-N 2.84Å; Y293-L297 VanDerWaalsContact O-N 3.12Å
294S82.9Confident80.3Confident16 Ų1644.4 Ų44.411%0.11225%0.251CS..Hα-helixtrans-47.9-45.1174.2159.50000113.1I290 L296 L297 L298 C344I290-S294 PolarHBondContact O-N 2.92Å; S294-L296 PolarHBondContact O-N 2.91Å; S294-L296 VanDerWaalsContact O-N 3.15Å; S294-L297 PolarHBondContact O-N 2.79Å; S294-L297 VanDerWaalsContact O-N 3.11Å; S294-L298 VanDerWaalsContact O-CG 3.31Å; S294-L298 WeakPolarHBondContact O-CG 3.36Å; S294-L298 PolarHBondContact O-N 3.11Å; S294-C344 PolarHBondContact OG-O 2.85Å
295P83.9Confident80.3Confident61 Ų6148.8 Ų48.840%0.39626%0.261SS..Hα-helixtrans-62.1-26.1178.5-24.234.6000114.5Y293 L299Y293-P295 VanDerWaalsContact C-CD 3.43Å; Y293-P295 VanDerWaalsContact C-N 3.31Å; P295-L299 WeakPolarHBondContact O-CG 3.37Å
296L84Confident80.2Confident0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-77.8-46.1174.4-178.171.3000110.4V251 R255 V258 I275 L279 Y293 S294 L298 L299 F300V251-L296 HydrophobicContact CG1-CD2 3.82Å; R255-L296 HydrophobicContact CB-CD1 3.72Å; V258-L296 HydrophobicContact CB-CD1 4.06Å; V258-L296 HydrophobicContact CG1-CD1 4.01Å; V258-L296 HydrophobicContact CG2-CD1 4.5Å; I275-L296 HydrophobicContact CG2-CD2 3.93Å; L279-L296 HydrophobicContact CD1-CD2 3.77Å; Y293-L296 WeakPolarHBondContact O-CB 3.42Å; Y293-L296 PolarHBondContact O-N 2.91Å; S294-L296 PolarHBondContact O-N 2.91Å; S294-L296 VanDerWaalsContact O-N 3.15Å; L296-L298 VanDerWaalsContact C-N 3.32Å; L296-L298 PolarHBondContact O-N 3.24Å; L296-L299 WeakPolarHBondContact O-CB 3.48Å; L296-L299 PolarHBondContact O-N 2.9Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L296-F300 HydrophobicContact CD1-CE2 4.18Å; L296-F300 HydrophobicContact CG-CE2 4.4Å; L296-F300 WeakPolarHBondContact O-CD2 3.28Å
297L84.4Confident80.3Confident1 Ų153.3 Ų53.31%0.00528%0.281CS..Hα-helixtrans-61.2-41.5179.3-67.7175000111.7V272 I275 F280 Y293 S294 L299 F300 T301 L341 V346V272-L297 HydrophobicContact CG1-CD2 4.07Å; I275-L297 HydrophobicContact CG2-CD2 4.22Å; F280-L297 HydrophobicContact CZ-CD1 4.24Å; Y293-L297 PolarHBondContact O-N 2.84Å; Y293-L297 VanDerWaalsContact O-N 3.12Å; S294-L297 PolarHBondContact O-N 2.79Å; S294-L297 VanDerWaalsContact O-N 3.11Å; L297-L299 PolarHBondContact O-N 2.86Å; L297-F300 PolarHBondContact O-N 3.38Å; L297-T301 PolarHBondContact O-N 3.33Å; L297-T301 PolarHBondContact O-OG1 3.13Å; L297-L341 HydrophobicContact CD1-CD2 4.45Å; L297-V346 HydrophobicContact CB-CG1 3.9Å; L297-V346 HydrophobicContact CB-CG2 4.12Å; L297-V346 HydrophobicContact CD1-CG1 4.25Å; L297-V346 HydrophobicContact CD1-CG2 4.38Å
298L84.4Confident80.4Confident46 Ų4656.1 Ų56.124%0.24129%0.291CS..Hα-helixtrans-57.8-32.3176.7-72.5171.2000113.1S294 L296 F300 R302 D345 V346S294-L298 VanDerWaalsContact O-CG 3.31Å; S294-L298 WeakPolarHBondContact O-CG 3.36Å; S294-L298 PolarHBondContact O-N 3.11Å; L296-L298 VanDerWaalsContact C-N 3.32Å; L296-L298 PolarHBondContact O-N 3.24Å; L298-F300 PolarHBondContact O-N 2.83Å; L298-R302 HydrophobicContact CD2-CG 4.15Å; L298-R302 WeakPolarHBondContact O-CB 3.41Å; L298-R302 PolarHBondContact O-N 3.29Å; L298-D345 HydrophobicContact CD2-CB 4.14Å; L298-D345 WeakPolarHBondContact CD2-O 3.1Å; L298-V346 HydrophobicContact CD2-CG2 4.47Å
299L83.1Confident80.5Confident41 Ų4159 Ų5922%0.21529%0.292CS..Hα-helixtrans-66.8-24.6176-74166.3000112.9R255 K259 P295 L296 L297 S303R255-L299 HydrophobicContact CB-CD1 3.78Å; R255-L299 HydrophobicContact CG-CD1 3.66Å; K259-L299 HydrophobicContact CD-CB 4.43Å; K259-L299 PolarHBondContact NZ-O 3.13Å; P295-L299 WeakPolarHBondContact O-CG 3.37Å; L296-L299 WeakPolarHBondContact O-CB 3.48Å; L296-L299 PolarHBondContact O-N 2.9Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L297-L299 PolarHBondContact O-N 2.86Å; L299-S303 WeakPolarHBondContact O-CB 3.45Å
300F81.8Confident80.6Confident15 Ų1557.9 Ų57.97%0.06629%0.287CS..Hα-helixtrans-96.3-38.9177-70.4-84.6000112V258 K259 A262 A271 V272 I275 L296 L297 L298V258-F300 HydrophobicContact CG1-CE2 4.27Å; V258-F300 HydrophobicContact CG1-CZ 4.19Å; K259-F300 HydrophobicContact CB-CZ 4.22Å; K259-F300 HydrophobicContact CG-CE1 4.45Å; K259-F300 HydrophobicContact CG-CZ 4.48Å; A262-F300 HydrophobicContact CB-CE1 3.68Å; A262-F300 HydrophobicContact CB-CZ 4Å; A271-F300 HydrophobicContact CB-CD1 4.32Å; A271-F300 HydrophobicContact CB-CE1 3.98Å; V272-F300 HydrophobicContact CG2-CB 3.63Å; V272-F300 HydrophobicContact CG2-CD1 4.49Å; V272-F300 HydrophobicContact CG2-CG 4.13Å; I275-F300 HydrophobicContact CD1-CD2 3.68Å; I275-F300 HydrophobicContact CD1-CE1 4.26Å; I275-F300 HydrophobicContact CD1-CE2 3.29Å; I275-F300 HydrophobicContact CD1-CG 4.32Å; I275-F300 HydrophobicContact CD1-CZ 3.61Å; L296-F300 HydrophobicContact CD1-CE2 4.18Å; L296-F300 HydrophobicContact CG-CE2 4.4Å; L296-F300 WeakPolarHBondContact O-CD2 3.28Å; L297-F300 PolarHBondContact O-N 3.38Å; L298-F300 PolarHBondContact O-N 2.83Å
301T77.3Confident80.7Confident0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-81.5-27.2-175.260.60000113.9L297 Q307 Q311 T314 V346L297-T301 PolarHBondContact O-N 3.33Å; L297-T301 PolarHBondContact O-OG1 3.13Å; T301-Q307 WeakPolarHBondContact O-CB 3.35Å; T301-Q307 WeakPolarHBondContact O-CG 3.44Å; T301-Q311 HydrophobicContact CG2-CG 4.17Å; T301-T314 WeakPolarHBondContact CG2-OG1 3.24Å; T301-V346 VanDerWaalsContact CB-O 3.31Å; T301-V346 WeakPolarHBondContact CB-O 3.04Å; T301-V346 HydrophobicContact CG2-CG1 3.85Å; T301-V346 PolarHBondContact OG1-O 3.49Å
302R76.4Confident80.8Confident101 Ų10154.3 Ų54.338%0.38127%0.273SS..SBendtrans-106-5.7179.6-62.8-165.6175.3-139.7-4.2114.6L298 Q307 D345L298-R302 HydrophobicContact CD2-CG 4.15Å; L298-R302 WeakPolarHBondContact O-CB 3.41Å; L298-R302 PolarHBondContact O-N 3.29Å; R302-Q307 PolarHBondContact O-NE2 2.77Å; R302-D345 IonicContact CZ-OD1 2.78Å; R302-D345 PolarHBondContact NE-O 3.25Å; R302-D345 PolarHBondContact NH2-O 3.41Å; R302-D345 IonicContact NH2-OD1 3.92Å; R302-D345 PolarHBondContact NH2-OD1 3.4Å
303S68.1Low80.9Confident57 Ų5753.1 Ų53.140%0.39927%0.266SS..SBendtrans-127.2102.7-178-56.70000112.1K259 L299K259-S303 PolarHBondContact NZ-O 3.08Å; K259-S303 VanDerWaalsContact NZ-O 3.07Å; L299-S303 WeakPolarHBondContact O-CB 3.45Å
304G68.4Low81Confident51 Ų5152.9 Ų52.953%0.52627%0.266SS..SBendtrans155.9171.8175.900000111.9D306 Q307G304-D306 VanDerWaalsContact C-N 3.28Å; G304-Q307 WeakPolarHBondContact O-CG 3.39Å
305E69.1Low81.3Confident188 Ų18852.7 Ų52.788%0.87926%0.262SS*.THydrogen-bonded Turntrans-73.5-23.9171.8-66-177.717000111.8
306D74.6Confident81.3Confident68 Ų6849.8 Ų49.836%0.36424%0.244SC..THydrogen-bonded Turntrans-101.633.6-175.8-73.1-59.7000113.8G304 K308 R309 A310G304-D306 VanDerWaalsContact C-N 3.28Å; D306-K308 PolarHBondContact O-N 3.18Å; D306-R309 HydrophobicContact CB-CB 4.29Å; D306-R309 PolarHBondContact O-N 3.2Å; D306-R309 VanDerWaalsContact O-N 3.14Å; D306-R309 WeakPolarHBondContact OD1-CD 3.35Å; D306-R309 IonicContact OD1-CZ 2.77Å; D306-R309 IonicContact OD1-NE 3.97Å; D306-R309 IonicContact OD1-NH1 2.67Å; D306-R309 PolarHBondContact OD1-NH1 3.33Å; D306-A310 PolarHBondContact O-N 3.14Å
307Q82.2Confident81.4Confident78 Ų7850 Ų5036%0.36425%0.246SC..Hα-helixtrans-49.9-54.5-178.2-75.6165.1-12.900112.7T301 R302 G304 R309 A310 Q311T301-Q307 WeakPolarHBondContact O-CB 3.35Å; T301-Q307 WeakPolarHBondContact O-CG 3.44Å; R302-Q307 PolarHBondContact O-NE2 2.77Å; G304-Q307 WeakPolarHBondContact O-CG 3.39Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 2.93Å; Q307-A310 PolarHBondContact O-N 3.24Å; Q307-A310 VanDerWaalsContact O-N 3.16Å; Q307-Q311 WeakPolarHBondContact O-CG 3.23Å; Q307-Q311 PolarHBondContact O-N 3.39Å
308K82.9Confident81.4Confident117 Ų11750.1 Ų50.151%0.50925%0.246SC..Hα-helixtrans-61-37.3-178.5-60.3-164.6-178.4-150.30112.5D306 I312 D350 V351D306-K308 PolarHBondContact O-N 3.18Å; K308-I312 VanDerWaalsContact O-CG1 3.3Å; K308-I312 WeakPolarHBondContact O-CG1 3.36Å; K308-I312 PolarHBondContact O-N 2.94Å; K308-I312 VanDerWaalsContact O-N 3.13Å; K308-D350 WeakPolarHBondContact CE-OD2 3.4Å; K308-D350 IonicContact NZ-OD2 3.74Å; K308-D350 PolarHBondContact NZ-OD2 3.48Å; K308-V351 HydrophobicContact CB-CG2 4.28Å; K308-V351 HydrophobicContact CG-CG2 4.27Å
309R84.1Confident81.5Confident151 Ų15148.4 Ų48.457%0.5724%0.239SC*.Hα-helixtrans-66.5-49.2175.9-71.5-179176.7163.4-12.3110.1P269 D306 Q307 Q311 I312 Y313P269-R309 HydrophobicContact CB-CB 4.41Å; D306-R309 HydrophobicContact CB-CB 4.29Å; D306-R309 PolarHBondContact O-N 3.2Å; D306-R309 VanDerWaalsContact O-N 3.14Å; D306-R309 WeakPolarHBondContact OD1-CD 3.35Å; D306-R309 IonicContact OD1-CZ 2.77Å; D306-R309 IonicContact OD1-NE 3.97Å; D306-R309 IonicContact OD1-NH1 2.67Å; D306-R309 PolarHBondContact OD1-NH1 3.33Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 2.93Å; R309-Q311 VanDerWaalsContact C-N 3.26Å; R309-Q311 PolarHBondContact O-N 3.46Å; R309-I312 WeakPolarHBondContact O-CB 3.39Å; R309-I312 PolarHBondContact O-N 2.87Å; R309-Y313 HydrophobicContact CB-CD2 4.4Å; R309-Y313 HydrophobicContact CB-CE2 4.36Å; R309-Y313 WeakPolarHBondContact O-CD2 3.43Å; R309-Y313 PolarHBondContact O-N 3.29Å
310A85.5Confident81.5Confident5 Ų549.5 Ų49.54%0.04124%0.242CC..Hα-helixtrans-55.1-42.3177.800000111.9P269 D306 Q307 Y313 T314P269-A310 HydrophobicContact CB-CB 4.05Å; D306-A310 PolarHBondContact O-N 3.14Å; Q307-A310 PolarHBondContact O-N 3.24Å; Q307-A310 VanDerWaalsContact O-N 3.16Å; A310-Y313 PolarHBondContact O-N 3.42Å; A310-T314 PolarHBondContact O-N 3.15Å; A310-T314 PolarHBondContact O-OG1 3.46Å
311Q86.9Confident81.5Confident2 Ų249.3 Ų49.31%0.00924%0.242CC..Hα-helixtrans-59.7-45.5174.1-67.4-179.43600112.8T301 Q307 R309 Y313 T314 W315 I347 E348 V351T301-Q311 HydrophobicContact CG2-CG 4.17Å; Q307-Q311 WeakPolarHBondContact O-CG 3.23Å; Q307-Q311 PolarHBondContact O-N 3.39Å; R309-Q311 VanDerWaalsContact C-N 3.26Å; R309-Q311 PolarHBondContact O-N 3.46Å; Q311-Y313 VanDerWaalsContact C-N 3.34Å; Q311-Y313 PolarHBondContact O-N 3.44Å; Q311-T314 WeakPolarHBondContact O-CB 2.95Å; Q311-T314 PolarHBondContact O-N 3.32Å; Q311-W315 PolarHBondContact O-N 3.3Å; Q311-W315 VanDerWaalsContact O-N 3.11Å; Q311-I347 HydrophobicContact CB-CG2 4.42Å; Q311-E348 PolarHBondContact NE2-OE2 3.32Å; Q311-V351 HydrophobicContact CB-CG1 4.01Å; Q311-V351 HydrophobicContact CB-CG2 4.44Å; Q311-V351 VanDerWaalsContact OE1-CG2 3.23Å
312I86.9Confident81.7Confident51 Ų5149.3 Ų49.326%0.26224%0.242SC..Hα-helixtrans-61.6-41.5175.1-66.3166.1000111.1K308 R309 W315 G316 V351 F364K308-I312 VanDerWaalsContact O-CG1 3.3Å; K308-I312 WeakPolarHBondContact O-CG1 3.36Å; K308-I312 PolarHBondContact O-N 2.94Å; K308-I312 VanDerWaalsContact O-N 3.13Å; R309-I312 WeakPolarHBondContact O-CB 3.39Å; R309-I312 PolarHBondContact O-N 2.87Å; I312-W315 PolarHBondContact O-N 3.3Å; I312-G316 PolarHBondContact O-N 3.38Å; I312-V351 HydrophobicContact CD1-CG1 4.49Å; I312-V351 HydrophobicContact CG1-CG1 3.64Å; I312-F364 HydrophobicContact CG2-CE2 3.98Å; I312-F364 HydrophobicContact CG2-CZ 4.25Å
313Y87Confident81.9Confident61 Ų6147.8 Ų47.824%0.23924%0.238CC..Hα-helixtrans-65.5-37.4175.7-79.1-77.6000112P269 R270 L273 R309 A310 Q311 W315 G316 A317 F364P269-Y313 HydrophobicContact CB-CD2 3.73Å; P269-Y313 HydrophobicContact CB-CE2 4.11Å; P269-Y313 HydrophobicContact CG-CD2 4.11Å; P269-Y313 HydrophobicContact CG-CE2 3.97Å; R270-Y313 HydrophobicContact CG-CE1 4.32Å; L273-Y313 HydrophobicContact CD1-CD1 3.87Å; L273-Y313 HydrophobicContact CD1-CE1 4.32Å; L273-Y313 HydrophobicContact CD2-CD1 4.05Å; L273-Y313 VanDerWaalsContact CD2-O 3.32Å; L273-Y313 WeakPolarHBondContact CD2-O 3.44Å; L273-Y313 HydrophobicContact CG-CD1 4.02Å; R309-Y313 HydrophobicContact CB-CD2 4.4Å; R309-Y313 HydrophobicContact CB-CE2 4.36Å; R309-Y313 WeakPolarHBondContact O-CD2 3.43Å; R309-Y313 PolarHBondContact O-N 3.29Å; A310-Y313 PolarHBondContact O-N 3.42Å; Q311-Y313 VanDerWaalsContact C-N 3.34Å; Q311-Y313 PolarHBondContact O-N 3.44Å; Y313-W315 VanDerWaalsContact C-N 3.34Å; Y313-W315 PolarHBondContact O-N 3.09Å; Y313-G316 CarbonylContact O-C 3.06Å; Y313-G316 PolarHBondContact O-N 3.07Å; Y313-A317 WeakPolarHBondContact O-CB 3.12Å; Y313-A317 PolarHBondContact O-N 2.72Å; Y313-F364 AromaticContact CD1-CE1 3.66Å; Y313-F364 HydrophobicContact CD1-CE1 3.66Å; Y313-F364 AromaticContact CD1-CZ 3.83Å; Y313-F364 HydrophobicContact CD1-CZ 3.83Å; Y313-F364 AromaticContact CE1-CE1 3.97Å; Y313-F364 HydrophobicContact CE1-CE1 3.97Å; Y313-F364 HydrophobicContact CE1-CZ 4.11Å; Y313-F364 HydrophobicContact CG-CZ 4.4Å
314T87.4Confident82.4Confident0 Ų052.5 Ų52.50%025%0.248CC..Hα-helixtrans-57.4-48.5173.1-47.70000111.1V272 T301 A310 Q311 A317 M318 L341 V346V272-T314 HydrophobicContact CG1-CG2 4.1Å; V272-T314 WeakPolarHBondContact CG1-OG1 3.35Å; T301-T314 WeakPolarHBondContact CG2-OG1 3.24Å; A310-T314 PolarHBondContact O-N 3.15Å; A310-T314 PolarHBondContact O-OG1 3.46Å; Q311-T314 WeakPolarHBondContact O-CB 2.95Å; Q311-T314 PolarHBondContact O-N 3.32Å; T314-A317 WeakPolarHBondContact O-CB 3.47Å; T314-A317 PolarHBondContact O-N 3.15Å; T314-M318 PolarHBondContact O-N 2.76Å; T314-M318 VanDerWaalsContact O-N 3.14Å; T314-L341 HydrophobicContact CG2-CD2 4.37Å; T314-V346 HydrophobicContact CG2-CG1 4.07Å
315W88.1Confident82.6Confident12 Ų1251.9 Ų51.95%0.04523%0.231CC..Hα-helixtrans-67.1-40.5177.5-176.4-122.7000112.2Q311 I312 Y313 A317 M318 A319 L337 L338 L341 I347 W355 I373Q311-W315 PolarHBondContact O-N 3.3Å; Q311-W315 VanDerWaalsContact O-N 3.11Å; I312-W315 PolarHBondContact O-N 3.3Å; Y313-W315 VanDerWaalsContact C-N 3.34Å; Y313-W315 PolarHBondContact O-N 3.09Å; W315-A317 VanDerWaalsContact C-N 3.27Å; W315-A317 PolarHBondContact O-N 2.8Å; W315-M318 HydrophobicContact CE3-CB 4.02Å; W315-M318 HydrophobicContact CE3-CG 4.24Å; W315-M318 HydrophobicContact CZ3-CB 4.17Å; W315-M318 WeakPolarHBondContact O-CB 3.31Å; W315-M318 PolarHBondContact O-N 3.23Å; W315-M318 VanDerWaalsContact O-N 3.12Å; W315-A319 PolarHBondContact O-N 3.39Å; W315-L337 HydrophobicContact CZ3-CB 4.48Å; W315-L338 HydrophobicContact CD2-CD1 3.9Å; W315-L338 HydrophobicContact CE3-CB 4.49Å; W315-L338 HydrophobicContact CE3-CD1 3.65Å; W315-L338 HydrophobicContact CH2-CB 3.58Å; W315-L338 HydrophobicContact CH2-CD1 3.96Å; W315-L338 HydrophobicContact CH2-CD2 4.36Å; W315-L338 HydrophobicContact CH2-CG 4.17Å; W315-L338 HydrophobicContact CZ2-CB 4.34Å; W315-L338 HydrophobicContact CZ2-CD1 4.14Å; W315-L338 HydrophobicContact CZ2-CD2 4.3Å; W315-L338 HydrophobicContact CZ2-CG 4.5Å; W315-L338 HydrophobicContact CZ3-CB 3.66Å; W315-L338 HydrophobicContact CZ3-CD1 3.69Å; W315-L338 HydrophobicContact CZ3-CG 4.22Å; W315-L341 HydrophobicContact CE3-CD1 3.97Å; W315-L341 HydrophobicContact CZ3-CD1 4.29Å; W315-I347 HydrophobicContact CB-CD1 3.92Å; W315-W355 AromaticContact CD1-CD1 3.98Å; W315-W355 AromaticContact CD1-CD2 3.68Å; W315-W355 AromaticContact CD1-CE2 3.53Å; W315-W355 AromaticContact CD1-CZ2 3.95Å; W315-W355 AromaticContact CD1-NE1 3.69Å; W315-W355 AromaticContact CE2-CH2 3.88Å; W315-W355 AromaticContact CE2-CZ2 3.99Å; W315-W355 AromaticContact CZ2-CH2 3.88Å; W315-W355 HydrophobicContact CZ2-CH2 3.88Å; W315-W355 HydrophobicContact CZ2-CZ2 4.33Å; W315-W355 HydrophobicContact CZ2-CZ3 4.26Å; W315-W355 AromaticContact NE1-CD2 3.43Å; W315-W355 AromaticContact NE1-CE2 3.08Å; W315-W355 AromaticContact NE1-CE3 3.67Å; W315-W355 AromaticContact NE1-CH2 3.29Å; W315-W355 VanDerWaalsContact NE1-CH2 3.29Å; W315-W355 AromaticContact NE1-CZ2 3.03Å; W315-W355 AromaticContact NE1-CZ3 3.59Å; W315-W355 AromaticContact NE1-NE1 3.69Å; W315-I373 HydrophobicContact CZ2-CG2 3.9Å
316G85.9Confident82.5Confident1 Ų145.8 Ų45.81%0.0121%0.209CC..Hα-helixtrans-57.3-38.8172.800000112.9I312 Y313 A319 K320 F364I312-G316 PolarHBondContact O-N 3.38Å; Y313-G316 CarbonylContact O-C 3.06Å; Y313-G316 PolarHBondContact O-N 3.07Å; G316-A319 PolarHBondContact O-N 3.04Å; G316-K320 PolarHBondContact O-N 3.5Å; G316-F364 VanDerWaalsContact CA-CG 3.47Å
317A85.7Confident81.9Confident5 Ų549.7 Ų49.74%0.04123%0.23CC..Hα-helixtrans-65.1-42.5174.200000112L273 A276 Y313 T314 W315 A319 K320 L321L273-A317 HydrophobicContact CD2-CB 3.73Å; A276-A317 HydrophobicContact CB-CB 3.45Å; A276-A317 VanDerWaalsContact CB-CB 3.45Å; Y313-A317 WeakPolarHBondContact O-CB 3.12Å; Y313-A317 PolarHBondContact O-N 2.72Å; T314-A317 WeakPolarHBondContact O-CB 3.47Å; T314-A317 PolarHBondContact O-N 3.15Å; W315-A317 VanDerWaalsContact C-N 3.27Å; W315-A317 PolarHBondContact O-N 2.8Å; A317-A319 VanDerWaalsContact C-N 3.31Å; A317-A319 PolarHBondContact O-N 3.05Å; A317-K320 PolarHBondContact O-N 2.79Å; A317-L321 WeakPolarHBondContact O-CG 3.49Å; A317-L321 PolarHBondContact O-N 2.78Å
318M84.5Confident81Confident2 Ų251.2 Ų51.21%0.0124%0.237CC..Hα-helixtrans-61.3-41.8174.4-63.3-53.4117.100111.5A276 F280 I290 T314 W315 K320 L321 I322 L341A276-M318 HydrophobicContact CB-CE 3.87Å; F280-M318 HydrophobicContact CD2-CE 3.59Å; F280-M318 HydrophobicContact CD2-SD 4.43Å; F280-M318 HydrophobicContact CE2-CE 3.55Å; I290-M318 HydrophobicContact CD1-SD 4.17Å; T314-M318 PolarHBondContact O-N 2.76Å; T314-M318 VanDerWaalsContact O-N 3.14Å; W315-M318 HydrophobicContact CE3-CB 4.02Å; W315-M318 HydrophobicContact CE3-CG 4.24Å; W315-M318 HydrophobicContact CZ3-CB 4.17Å; W315-M318 WeakPolarHBondContact O-CB 3.31Å; W315-M318 PolarHBondContact O-N 3.23Å; W315-M318 VanDerWaalsContact O-N 3.12Å; M318-K320 VanDerWaalsContact C-N 3.34Å; M318-K320 PolarHBondContact O-N 2.98Å; M318-L321 HydrophobicContact CE-CD1 4.17Å; M318-L321 PolarHBondContact O-N 3.2Å; M318-L321 HydrophobicContact SD-CD1 4.22Å; M318-I322 VanDerWaalsContact O-CG1 3.27Å; M318-I322 WeakPolarHBondContact O-CG1 3.47Å; M318-I322 PolarHBondContact O-N 3.11Å; M318-L341 HydrophobicContact CG-CD1 3.77Å
319A85.1Confident80.2Confident10 Ų1051.2 Ų51.28%0.08324%0.243CC..Hα-helixtrans-61.3-43.1176.900000111.4W315 G316 A317 I322 E323 V365 I373W315-A319 PolarHBondContact O-N 3.39Å; G316-A319 PolarHBondContact O-N 3.04Å; A317-A319 VanDerWaalsContact C-N 3.31Å; A317-A319 PolarHBondContact O-N 3.05Å; A319-I322 WeakPolarHBondContact O-CB 3.27Å; A319-I322 PolarHBondContact O-N 3.03Å; A319-E323 PolarHBondContact O-N 3.37Å; A319-V365 VanDerWaalsContact C-CG2 3.41Å; A319-V365 HydrophobicContact CB-CG2 3.63Å; A319-V365 WeakPolarHBondContact O-CG2 3.41Å; A319-I373 HydrophobicContact CB-CD1 4.25Å
320K83.5Confident79.8Confident65 Ų6544.1 Ų44.128%0.28322%0.216SC..Hα-helixtrans-62.4-40.6173.6-76.6-168.8172.1-163.30112.9G316 A317 M318 I322 E323 R324 F364 V365G316-K320 PolarHBondContact O-N 3.5Å; A317-K320 PolarHBondContact O-N 2.79Å; M318-K320 VanDerWaalsContact C-N 3.34Å; M318-K320 PolarHBondContact O-N 2.98Å; K320-I322 VanDerWaalsContact C-N 3.3Å; K320-I322 PolarHBondContact O-N 2.65Å; K320-E323 WeakPolarHBondContact O-CB 3.39Å; K320-E323 PolarHBondContact O-N 3.38Å; K320-R324 PolarHBondContact O-N 2.75Å; K320-F364 WeakPolarHBondContact CE-O 3.49Å; K320-F364 HydrophobicContact CG-CB 4.36Å; K320-F364 VanDerWaalsContact CG-O 3.25Å; K320-F364 WeakPolarHBondContact CG-O 3.28Å; K320-V365 HydrophobicContact CG-CG2 4.33Å
321L81.9Confident79.4Confident11 Ų1145.2 Ų45.26%0.05822%0.222CC..Hα-helixtrans-63.4-37.1175-71.8167.7000111.9A276 F280 A317 M318 E323 R324 H325A276-L321 HydrophobicContact CB-CD1 4.48Å; F280-L321 HydrophobicContact CB-CD1 3.64Å; F280-L321 HydrophobicContact CD2-CD1 4.11Å; F280-L321 HydrophobicContact CG-CD1 4.31Å; A317-L321 WeakPolarHBondContact O-CG 3.49Å; A317-L321 PolarHBondContact O-N 2.78Å; M318-L321 HydrophobicContact CE-CD1 4.17Å; M318-L321 PolarHBondContact O-N 3.2Å; M318-L321 HydrophobicContact SD-CD1 4.22Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-R324 PolarHBondContact O-N 3.42Å; L321-H325 WeakPolarHBondContact O-CB 3.2Å; L321-H325 PolarHBondContact O-CD2 3.05Å; L321-H325 PolarHBondContact O-N 2.84Å
322I82Confident79Confident0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-64.6-38.5173.8-67.2161.4000111.2M318 A319 K320 H325 S326 L330 V331 A334 L337 I373M318-I322 VanDerWaalsContact O-CG1 3.27Å; M318-I322 WeakPolarHBondContact O-CG1 3.47Å; M318-I322 PolarHBondContact O-N 3.11Å; A319-I322 WeakPolarHBondContact O-CB 3.27Å; A319-I322 PolarHBondContact O-N 3.03Å; K320-I322 VanDerWaalsContact C-N 3.3Å; K320-I322 PolarHBondContact O-N 2.65Å; I322-H325 CarbonylContact O-C 3.6Å; I322-S326 WeakPolarHBondContact O-CA 3.5Å; I322-S326 PolarHBondContact O-N 2.77Å; I322-S326 VanDerWaalsContact O-N 3.07Å; I322-L330 HydrophobicContact CG1-CD2 3.89Å; I322-L330 HydrophobicContact CG1-CG 4.42Å; I322-V331 HydrophobicContact CG2-CB 4.45Å; I322-V331 HydrophobicContact CG2-CG2 3.74Å; I322-A334 HydrophobicContact CD1-CB 3.88Å; I322-L337 HydrophobicContact CD1-CD1 4.1Å; I322-L337 HydrophobicContact CG1-CD1 4.22Å; I322-I373 HydrophobicContact CD1-CD1 4.33Å; I322-I373 HydrophobicContact CG2-CD1 4.37Å
323E80.4Confident78.8Confident68 Ų6850.7 Ų50.732%0.31825%0.248SC..Hα-helixtrans-64.9-48.8175.5-168.7162.1-135.100111.5A319 K320 L321 H325 S326 V365 S366 L369A319-E323 PolarHBondContact O-N 3.37Å; K320-E323 WeakPolarHBondContact O-CB 3.39Å; K320-E323 PolarHBondContact O-N 3.38Å; L321-E323 VanDerWaalsContact C-N 3.34Å; E323-H325 VanDerWaalsContact C-N 3.29Å; E323-H325 PolarHBondContact O-N 3.12Å; E323-S326 WeakPolarHBondContact O-CB 3.41Å; E323-S326 PolarHBondContact O-N 3.01Å; E323-S326 PolarHBondContact O-OG 3.14Å; E323-S326 VanDerWaalsContact O-OG 3.09Å; E323-V365 HydrophobicContact CB-CG2 4.46Å; E323-S366 PolarHBondContact OE1-N 3.3Å; E323-S366 PolarHBondContact OE1-OG 3.38Å; E323-L369 HydrophobicContact CB-CD2 3.55Å; E323-L369 HydrophobicContact CG-CD2 3.74Å
324R77.5Confident78.6Confident156 Ų15647.8 Ų47.859%0.58924%0.237SC*.Hα-helixtrans-62.8-33.5179.6-167.8175.8-172.2166.95.2113.2E277 K320 L321E277-R324 IonicContact OE1-CZ 3.2Å; E277-R324 IonicContact OE1-NH1 2.66Å; E277-R324 PolarHBondContact OE1-NH1 2.84Å; K320-R324 PolarHBondContact O-N 2.75Å; L321-R324 PolarHBondContact O-N 3.42Å
325H73.9Confident78.5Confident39 Ų3949.2 Ų49.218%0.18125%0.246CC..THydrogen-bonded Turntrans-108.631178.9-63.6-68.8000112.9P283 L321 I322 E323 D327 Q328 L330P283-H325 HydrophobicContact CB-CB 4.33Å; L321-H325 WeakPolarHBondContact O-CB 3.2Å; L321-H325 PolarHBondContact O-CD2 3.05Å; L321-H325 PolarHBondContact O-N 2.84Å; I322-H325 CarbonylContact O-C 3.6Å; E323-H325 VanDerWaalsContact C-N 3.29Å; E323-H325 PolarHBondContact O-N 3.12Å; H325-D327 PolarHBondContact O-N 3.32Å; H325-D327 VanDerWaalsContact O-N 3.1Å; H325-Q328 PolarHBondContact O-N 2.78Å; H325-Q328 VanDerWaalsContact O-N 3.13Å; H325-L330 HydrophobicContact CB-CD2 4.48Å
326S65.9Low78.4Confident60 Ų6054 Ų5442%0.4227%0.269SS..G310 helixtrans-55.9-27.9179.853.60000113.2I322 E323 Q328 N329I322-S326 WeakPolarHBondContact O-CA 3.5Å; I322-S326 PolarHBondContact O-N 2.77Å; I322-S326 VanDerWaalsContact O-N 3.07Å; E323-S326 WeakPolarHBondContact O-CB 3.41Å; E323-S326 PolarHBondContact O-N 3.01Å; E323-S326 PolarHBondContact O-OG 3.14Å; E323-S326 VanDerWaalsContact O-OG 3.09Å; S326-Q328 PolarHBondContact O-N 2.75Å; S326-Q328 VanDerWaalsContact O-N 3.16Å; S326-N329 PolarHBondContact O-N 3.05Å
327D61.8Low78.4Confident150 Ų15054.1 Ų54.180%0.80227%0.269SS*.G310 helixtrans-60.3-21.7177.7-64.7-33.8000115H325H325-D327 PolarHBondContact O-N 3.32Å; H325-D327 VanDerWaalsContact O-N 3.1Å
328Q63.3Low78.5Confident109 Ų10953.9 Ų53.951%0.50927%0.267SS..G310 helixtrans-102.317.1-174.6-62-165.911.700114.3P283 H325 S326 L330P283-Q328 VanDerWaalsContact CB-OE1 3.24Å; H325-Q328 PolarHBondContact O-N 2.78Å; H325-Q328 VanDerWaalsContact O-N 3.13Å; S326-Q328 PolarHBondContact O-N 2.75Å; S326-Q328 VanDerWaalsContact O-N 3.16Å; Q328-L330 PolarHBondContact O-N 3.47Å
329N67.8Low78.7Confident117 Ų11757.9 Ų57.963%0.62629%0.285SS*.THydrogen-bonded Turntrans54.734.2-175-61.9-43.3000112.7S326 V331 D332S326-N329 PolarHBondContact O-N 3.05Å; N329-V331 PolarHBondContact O-N 3.19Å; N329-V331 VanDerWaalsContact O-N 3.15Å; N329-D332 PolarHBondContact O-N 2.94Å; N329-D332 VanDerWaalsContact O-N 3.15Å
330L74.4Confident78.8Confident3 Ų358 Ų582%0.01629%0.285CS..G310 helixtrans-64.8-19.1179.5-148.679.4000112.4P283 I286 I322 H325 Q328 D332 K333 A334P283-L330 HydrophobicContact CB-CD1 4.02Å; I286-L330 HydrophobicContact CD1-CD1 4.39Å; I286-L330 HydrophobicContact CD1-CD2 3.73Å; I322-L330 HydrophobicContact CG1-CD2 3.89Å; I322-L330 HydrophobicContact CG1-CG 4.42Å; H325-L330 HydrophobicContact CB-CD2 4.48Å; Q328-L330 PolarHBondContact O-N 3.47Å; L330-D332 PolarHBondContact O-N 3.31Å; L330-K333 HydrophobicContact CD1-CD 4.21Å; L330-K333 CarbonylContact O-C 3.58Å; L330-K333 WeakPolarHBondContact O-CA 3.37Å; L330-K333 PolarHBondContact O-N 2.98Å; L330-A334 PolarHBondContact O-N 3.27Å
331V77.7Confident79Confident27 Ų2755 Ų5516%0.16427%0.271CS..G310 helixtrans-57-36.2173.8-174.60000111.7I322 N329 K333 A334 L369 K372 R376I322-V331 HydrophobicContact CG2-CB 4.45Å; I322-V331 HydrophobicContact CG2-CG2 3.74Å; N329-V331 PolarHBondContact O-N 3.19Å; N329-V331 VanDerWaalsContact O-N 3.15Å; V331-K333 VanDerWaalsContact C-N 3.27Å; V331-K333 PolarHBondContact O-N 3.12Å; V331-A334 WeakPolarHBondContact O-CB 3.47Å; V331-A334 PolarHBondContact O-N 3.42Å; V331-L369 HydrophobicContact CG2-CD1 3.89Å; V331-K372 HydrophobicContact CG1-CB 4.35Å; V331-R376 HydrophobicContact CG1-CG 4.32Å
332D78.9Confident79.3Confident82 Ų8257.4 Ų57.444%0.43928%0.28SS..G310 helixtrans-71.7-25.6178.2-66.3-28.3000111.9N329 L330 A334 R376N329-D332 PolarHBondContact O-N 2.94Å; N329-D332 VanDerWaalsContact O-N 3.15Å; L330-D332 PolarHBondContact O-N 3.31Å; D332-A334 VanDerWaalsContact C-N 3.34Å; D332-R376 IonicContact OD1-CZ 3.21Å; D332-R376 IonicContact OD1-NE 3.13Å; D332-R376 PolarHBondContact OD1-NE 3.4Å; D332-R376 VanDerWaalsContact OD1-NE 3.13Å; D332-R376 IonicContact OD1-NH2 2.73Å; D332-R376 PolarHBondContact OD1-NH2 3.32Å
333K81.6Confident79.7Confident87 Ų8761.4 Ų61.438%0.37830%0.301SS..G310 helixtrans-85.4-3.8174.8-64.5-179-176.6172.40113.1L330 V331 C335 H336 L337L330-K333 HydrophobicContact CD1-CD 4.21Å; L330-K333 CarbonylContact O-C 3.58Å; L330-K333 WeakPolarHBondContact O-CA 3.37Å; L330-K333 PolarHBondContact O-N 2.98Å; V331-K333 VanDerWaalsContact C-N 3.27Å; V331-K333 PolarHBondContact O-N 3.12Å; K333-C335 VanDerWaalsContact C-N 3.3Å; K333-C335 PolarHBondContact O-N 2.79Å; K333-H336 CarbonylContact O-C 3.47Å; K333-H336 WeakPolarHBondContact O-CA 3.38Å; K333-H336 WeakPolarHBondContact O-CB 3.26Å; K333-H336 PolarHBondContact O-N 2.81Å; K333-L337 WeakPolarHBondContact O-CG 3.31Å; K333-L337 PolarHBondContact O-N 3.42Å
334A84.1Confident80Confident0 Ų059.1 Ų59.10%029%0.293CS..Hα-helixtrans-56.2-42.8-17800000112.5I322 L330 V331 D332 H336 L337 L338 I373I322-A334 HydrophobicContact CD1-CB 3.88Å; L330-A334 PolarHBondContact O-N 3.27Å; V331-A334 WeakPolarHBondContact O-CB 3.47Å; V331-A334 PolarHBondContact O-N 3.42Å; D332-A334 VanDerWaalsContact C-N 3.34Å; A334-H336 VanDerWaalsContact C-N 3.33Å; A334-H336 PolarHBondContact O-N 3.2Å; A334-L337 PolarHBondContact O-N 2.77Å; A334-L338 PolarHBondContact O-N 2.88Å; A334-I373 HydrophobicContact CB-CG2 4.22Å
335C85.3Confident80.4Confident30 Ų3056.2 Ų56.220%0.20329%0.289CS..Hα-helixtrans-63-38.9175.6-1720000112K333 K339K333-C335 VanDerWaalsContact C-N 3.3Å; K333-C335 PolarHBondContact O-N 2.79Å; C335-K339 VanDerWaalsContact O-CB 3.31Å; C335-K339 WeakPolarHBondContact O-CB 3.35Å; C335-K339 PolarHBondContact O-N 2.88Å
336H85.6Confident81Confident111 Ų11154.3 Ų54.351%0.51428%0.28SS..Hα-helixtrans-69.5-35.1176.8-67.2-57.7000112.5L287 K333 A334 T340L287-H336 HydrophobicContact CD2-CB 4.24Å; K333-H336 CarbonylContact O-C 3.47Å; K333-H336 WeakPolarHBondContact O-CA 3.38Å; K333-H336 WeakPolarHBondContact O-CB 3.26Å; K333-H336 PolarHBondContact O-N 2.81Å; A334-H336 VanDerWaalsContact C-N 3.33Å; A334-H336 PolarHBondContact O-N 3.2Å; H336-T340 WeakPolarHBondContact O-CB 3.4Å; H336-T340 PolarHBondContact O-N 2.92Å; H336-T340 PolarHBondContact O-OG1 3.32Å
337L85.8Confident82Confident4 Ų451.7 Ų51.72%0.02126%0.261CS..Hα-helixtrans-64.6-49.2174.2-69.2169.4000110.7I286 L287 I290 W315 I322 K333 A334 K339 T340 L341I286-L337 HydrophobicContact CB-CD2 4.2Å; I286-L337 HydrophobicContact CG2-CD2 3.44Å; I286-L337 VanDerWaalsContact CG2-CD2 3.44Å; L287-L337 HydrophobicContact CD2-CD2 3.72Å; L287-L337 HydrophobicContact CD2-CG 4.29Å; L287-L337 HydrophobicContact CG-CD2 4.3Å; I290-L337 HydrophobicContact CD1-CD2 3.61Å; W315-L337 HydrophobicContact CZ3-CB 4.48Å; I322-L337 HydrophobicContact CD1-CD1 4.1Å; I322-L337 HydrophobicContact CG1-CD1 4.22Å; K333-L337 WeakPolarHBondContact O-CG 3.31Å; K333-L337 PolarHBondContact O-N 3.42Å; A334-L337 PolarHBondContact O-N 2.77Å; L337-K339 VanDerWaalsContact C-N 3.34Å; L337-K339 PolarHBondContact O-N 3.03Å; L337-T340 PolarHBondContact O-N 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.39Å
338L87.1Confident83.3Confident1 Ų147.7 Ų47.71%0.00524%0.238CC..Hα-helixtrans-59.5-46.6177.4-170.658.8000111.1W315 A334 T340 L341 Y342 I352 W355 C377 M380W315-L338 HydrophobicContact CD2-CD1 3.9Å; W315-L338 HydrophobicContact CE3-CB 4.49Å; W315-L338 HydrophobicContact CE3-CD1 3.65Å; W315-L338 HydrophobicContact CH2-CB 3.58Å; W315-L338 HydrophobicContact CH2-CD1 3.96Å; W315-L338 HydrophobicContact CH2-CD2 4.36Å; W315-L338 HydrophobicContact CH2-CG 4.17Å; W315-L338 HydrophobicContact CZ2-CB 4.34Å; W315-L338 HydrophobicContact CZ2-CD1 4.14Å; W315-L338 HydrophobicContact CZ2-CD2 4.3Å; W315-L338 HydrophobicContact CZ2-CG 4.5Å; W315-L338 HydrophobicContact CZ3-CB 3.66Å; W315-L338 HydrophobicContact CZ3-CD1 3.69Å; W315-L338 HydrophobicContact CZ3-CG 4.22Å; A334-L338 PolarHBondContact O-N 2.88Å; L338-T340 VanDerWaalsContact C-N 3.32Å; L338-T340 PolarHBondContact O-N 3.12Å; L338-L341 PolarHBondContact O-N 2.86Å; L338-Y342 PolarHBondContact O-N 3.22Å; L338-I352 HydrophobicContact CD1-CD1 4.11Å; L338-I352 HydrophobicContact CD1-CG1 4.16Å; L338-I352 HydrophobicContact CD2-CG2 4.06Å; L338-I352 HydrophobicContact CG-CD1 4.42Å; L338-W355 HydrophobicContact CD2-CZ3 4.39Å; L338-C377 HydrophobicContact CD2-CB 4.16Å; L338-M380 HydrophobicContact CB-CE 4.39Å; L338-M380 HydrophobicContact CB-SD 3.78Å; L338-M380 HydrophobicContact CD2-CE 4.29Å; L338-M380 HydrophobicContact CD2-SD 3.73Å; L338-M380 HydrophobicContact CG-CE 3.79Å; L338-M380 HydrophobicContact CG-SD 3.59Å; L338-M380 VanDerWaalsContact CG-SD 3.59Å
339K88.1Confident84.4Confident86 Ų8644.3 Ų44.337%0.37422%0.222SC..Hα-helixtrans-60.4-41.6175.9-173.6178.6-171.6-56.70112C335 L337 L341 Y342 D343 M380C335-K339 VanDerWaalsContact O-CB 3.31Å; C335-K339 WeakPolarHBondContact O-CB 3.35Å; C335-K339 PolarHBondContact O-N 2.88Å; L337-K339 VanDerWaalsContact C-N 3.34Å; L337-K339 PolarHBondContact O-N 3.03Å; K339-L341 VanDerWaalsContact C-N 3.32Å; K339-L341 PolarHBondContact O-N 3.21Å; K339-Y342 PolarHBondContact O-N 2.94Å; K339-D343 IonicContact NZ-OD1 2.98Å; K339-D343 PolarHBondContact NZ-OD1 3.03Å; K339-D343 VanDerWaalsContact NZ-OD1 3.09Å; K339-D343 IonicContact NZ-OD2 2.65Å; K339-D343 PolarHBondContact NZ-OD2 3.05Å; K339-D343 VanDerWaalsContact O-CB 3.32Å; K339-D343 WeakPolarHBondContact O-CB 3.5Å; K339-D343 PolarHBondContact O-N 2.93Å; K339-M380 HydrophobicContact CB-CE 4.3Å; K339-M380 HydrophobicContact CB-SD 3.91Å; K339-M380 PolarHBondContact N-SD 3.43Å
340T87.2Confident85.3Confident13 Ų1341.8 Ų41.88%0.0821%0.209CC..Hα-helixtrans-66-36.5178.5-57.10000111.5L287 I290 K291 H336 L337 L338 C344L287-T340 WeakPolarHBondContact CD2-OG1 3.44Å; I290-T340 HydrophobicContact CB-CG2 4.33Å; I290-T340 HydrophobicContact CG2-CG2 3.91Å; K291-T340 HydrophobicContact CD-CG2 4.47Å; K291-T340 HydrophobicContact CG-CG2 3.89Å; H336-T340 WeakPolarHBondContact O-CB 3.4Å; H336-T340 PolarHBondContact O-N 2.92Å; H336-T340 PolarHBondContact O-OG1 3.32Å; L337-T340 PolarHBondContact O-N 3.26Å; L338-T340 VanDerWaalsContact C-N 3.32Å; L338-T340 PolarHBondContact O-N 3.12Å; T340-C344 VanDerWaalsContact O-CB 3.23Å; T340-C344 WeakPolarHBondContact O-CB 3.34Å; T340-C344 PolarHBondContact O-N 2.88Å; T340-C344 PolarHBondContact O-SG 2.8Å
341L88Confident85.9Confident0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-68.7-38.7176-72.2167.7000112.4I290 L297 T314 W315 M318 L337 L338 K339 C344 D345 V346 I347I290-L341 HydrophobicContact CG2-CD2 3.7Å; I290-L341 HydrophobicContact CG2-CG 4.31Å; L297-L341 HydrophobicContact CD1-CD2 4.45Å; T314-L341 HydrophobicContact CG2-CD2 4.37Å; W315-L341 HydrophobicContact CE3-CD1 3.97Å; W315-L341 HydrophobicContact CZ3-CD1 4.29Å; M318-L341 HydrophobicContact CG-CD1 3.77Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.39Å; L338-L341 PolarHBondContact O-N 2.86Å; K339-L341 VanDerWaalsContact C-N 3.32Å; K339-L341 PolarHBondContact O-N 3.21Å; L341-C344 PolarHBondContact O-N 3.43Å; L341-D345 PolarHBondContact O-N 3.44Å; L341-V346 HydrophobicContact CD2-CB 4.11Å; L341-V346 HydrophobicContact CD2-CG1 4.06Å; L341-V346 HydrophobicContact CD2-CG2 4.38Å; L341-V346 PolarHBondContact O-N 3.46Å; L341-I347 HydrophobicContact CB-CD1 4.05Å; L341-I347 HydrophobicContact CB-CG1 4.26Å; L341-I347 HydrophobicContact CD1-CD1 3.83Å; L341-I347 HydrophobicContact CG-CD1 4.47Å
342Y89.3Confident86.3Confident62 Ų6241.1 Ų41.124%0.24321%0.205CC..Hα-helixtrans-64.5-52.2172.4179.8-102.1000111.4L338 K339 C344 D345 E349 I352 M380 W383 L384L338-Y342 PolarHBondContact O-N 3.22Å; K339-Y342 PolarHBondContact O-N 2.94Å; Y342-C344 PolarHBondContact O-N 3.12Å; Y342-C344 VanDerWaalsContact O-N 3.12Å; Y342-D345 PolarHBondContact O-N 2.94Å; Y342-E349 HydrophobicContact CE2-CB 4.16Å; Y342-I352 HydrophobicContact CD2-CD1 3.86Å; Y342-I352 HydrophobicContact CG-CD1 4.37Å; Y342-M380 HydrophobicContact CD1-CE 4.49Å; Y342-M380 HydrophobicContact CG-CE 4.1Å; Y342-W383 HydrophobicContact CD1-CZ3 4.2Å; Y342-W383 AromaticContact CE1-CH2 3.89Å; Y342-W383 HydrophobicContact CE1-CH2 3.89Å; Y342-W383 AromaticContact CE1-CZ3 3.75Å; Y342-W383 HydrophobicContact CE1-CZ3 3.75Å; Y342-L384 HydrophobicContact CD2-CD2 4.41Å; Y342-L384 HydrophobicContact CE1-CD2 4.03Å; Y342-L384 HydrophobicContact CE2-CD2 3.84Å
343D89Confident86.7Confident84 Ų8438 Ų3845%0.44919%0.188SC..Hα-helixtrans-59.4-26.5177.4-66.9-13000112.2K339K339-D343 IonicContact NZ-OD1 2.98Å; K339-D343 PolarHBondContact NZ-OD1 3.03Å; K339-D343 VanDerWaalsContact NZ-OD1 3.09Å; K339-D343 IonicContact NZ-OD2 2.65Å; K339-D343 PolarHBondContact NZ-OD2 3.05Å; K339-D343 VanDerWaalsContact O-CB 3.32Å; K339-D343 WeakPolarHBondContact O-CB 3.5Å; K339-D343 PolarHBondContact O-N 2.93Å
344C86.9Confident87Confident21 Ų2135.2 Ų35.214%0.14218%0.183CC..THydrogen-bonded Turntrans-9311177.2-660000113.5S294 T340 L341 Y342 V346S294-C344 PolarHBondContact OG-O 2.85Å; T340-C344 VanDerWaalsContact O-CB 3.23Å; T340-C344 WeakPolarHBondContact O-CB 3.34Å; T340-C344 PolarHBondContact O-N 2.88Å; T340-C344 PolarHBondContact O-SG 2.8Å; L341-C344 PolarHBondContact O-N 3.43Å; Y342-C344 PolarHBondContact O-N 3.12Å; Y342-C344 VanDerWaalsContact O-N 3.12Å; C344-V346 HydrophobicContact CB-CG2 3.97Å; C344-V346 PolarHBondContact O-N 3.18Å; C344-V346 VanDerWaalsContact O-N 3.08Å
345D86.5Confident87Confident94 Ų9436.9 Ų36.950%0.50319%0.19SC..THydrogen-bonded Turntrans63.315.2175.5-90.1-48.8000114.5L298 R302 L341 Y342L298-D345 HydrophobicContact CD2-CB 4.14Å; L298-D345 WeakPolarHBondContact CD2-O 3.1Å; R302-D345 IonicContact CZ-OD1 2.78Å; R302-D345 PolarHBondContact NE-O 3.25Å; R302-D345 PolarHBondContact NH2-O 3.41Å; R302-D345 IonicContact NH2-OD1 3.92Å; R302-D345 PolarHBondContact NH2-OD1 3.4Å; L341-D345 PolarHBondContact O-N 3.44Å; Y342-D345 PolarHBondContact O-N 2.94Å
346V86.3Confident87Confident0 Ų038.3 Ų38.30%019%0.191CC..SBendtrans-79.6-37.3-174.6179.30000111.4L297 L298 T301 T314 L341 C344L297-V346 HydrophobicContact CB-CG1 3.9Å; L297-V346 HydrophobicContact CB-CG2 4.12Å; L297-V346 HydrophobicContact CD1-CG1 4.25Å; L297-V346 HydrophobicContact CD1-CG2 4.38Å; L298-V346 HydrophobicContact CD2-CG2 4.47Å; T301-V346 VanDerWaalsContact CB-O 3.31Å; T301-V346 WeakPolarHBondContact CB-O 3.04Å; T301-V346 HydrophobicContact CG2-CG1 3.85Å; T301-V346 PolarHBondContact OG1-O 3.49Å; T314-V346 HydrophobicContact CG2-CG1 4.07Å; L341-V346 HydrophobicContact CD2-CB 4.11Å; L341-V346 HydrophobicContact CD2-CG1 4.06Å; L341-V346 HydrophobicContact CD2-CG2 4.38Å; L341-V346 PolarHBondContact O-N 3.46Å; C344-V346 HydrophobicContact CB-CG2 3.97Å; C344-V346 PolarHBondContact O-N 3.18Å; C344-V346 VanDerWaalsContact O-N 3.08Å
347I87.6Confident87Confident4 Ų438 Ų382%0.02119%0.194CC..SBendtrans-124.9130.2179.5-55.1179.4000108.1Q311 W315 L341 V351 I352Q311-I347 HydrophobicContact CB-CG2 4.42Å; W315-I347 HydrophobicContact CB-CD1 3.92Å; L341-I347 HydrophobicContact CB-CD1 4.05Å; L341-I347 HydrophobicContact CB-CG1 4.26Å; L341-I347 HydrophobicContact CD1-CD1 3.83Å; L341-I347 HydrophobicContact CG-CD1 4.47Å; I347-V351 HydrophobicContact CG2-CB 4.16Å; I347-V351 HydrophobicContact CG2-CG1 4.14Å; I347-I352 HydrophobicContact CG2-CD1 4.14Å; I347-I352 HydrophobicContact CG2-CG1 3.59Å
348E88.1Confident86.8Confident66 Ų6645.4 Ų45.431%0.30823%0.226SC..  trans-82.9155.6179.1-67.4167.4164.100111.4Q311 D350 V351 I352Q311-E348 PolarHBondContact NE2-OE2 3.32Å; E348-D350 VanDerWaalsContact CB-OD1 3.23Å; E348-D350 WeakPolarHBondContact CB-OD1 3.41Å; E348-D350 PolarHBondContact O-N 2.9Å; E348-V351 PolarHBondContact O-N 3.1Å; E348-I352 WeakPolarHBondContact O-CG1 3.2Å; E348-I352 PolarHBondContact O-N 3.03Å
349E87.1Confident86.5Confident38 Ų3846.2 Ų46.218%0.17823%0.234CC..Hα-helixtrans-57.8-46-177.8175.9162.3-165.700112.9Y342 V351 I352 L353 L384 E388Y342-E349 HydrophobicContact CE2-CB 4.16Å; E349-V351 PolarHBondContact O-N 2.79Å; E349-I352 WeakPolarHBondContact O-CB 3.18Å; E349-I352 PolarHBondContact O-N 3.17Å; E349-L353 HydrophobicContact CG-CD1 3.88Å; E349-L353 HydrophobicContact CG-CG 4.19Å; E349-L353 WeakPolarHBondContact O-CG 3.35Å; E349-L353 PolarHBondContact O-N 3.48Å; E349-L384 HydrophobicContact CG-CB 4.45Å; E349-L384 HydrophobicContact CG-CD2 4.25Å; E349-L384 WeakPolarHBondContact OE1-CB 3.22Å; E349-L384 VanDerWaalsContact OE1-O 3.12Å; E349-E388 WeakPolarHBondContact OE1-CG 3.12Å
350D86.7Confident85.8Confident65 Ų6544.7 Ų44.735%0.34823%0.233SC..Hα-helixtrans-58.5-35-18072.3-37.5000112.4K308 E348 G354K308-D350 WeakPolarHBondContact CE-OD2 3.4Å; K308-D350 IonicContact NZ-OD2 3.74Å; K308-D350 PolarHBondContact NZ-OD2 3.48Å; E348-D350 VanDerWaalsContact CB-OD1 3.23Å; E348-D350 WeakPolarHBondContact CB-OD1 3.41Å; E348-D350 PolarHBondContact O-N 2.9Å; D350-G354 PolarHBondContact O-N 3.03Å
351V86.5Confident85.2Confident13 Ų1346.2 Ų46.28%0.07924%0.244CC..Hα-helixtrans-73-37.9176.1178.70000111.4K308 Q311 I312 I347 E348 E349 W355K308-V351 HydrophobicContact CB-CG2 4.28Å; K308-V351 HydrophobicContact CG-CG2 4.27Å; Q311-V351 HydrophobicContact CB-CG1 4.01Å; Q311-V351 HydrophobicContact CB-CG2 4.44Å; Q311-V351 VanDerWaalsContact OE1-CG2 3.23Å; I312-V351 HydrophobicContact CD1-CG1 4.49Å; I312-V351 HydrophobicContact CG1-CG1 3.64Å; I347-V351 HydrophobicContact CG2-CB 4.16Å; I347-V351 HydrophobicContact CG2-CG1 4.14Å; E348-V351 PolarHBondContact O-N 3.1Å; E349-V351 PolarHBondContact O-N 2.79Å; V351-W355 VanDerWaalsContact O-CB 3.26Å; V351-W355 WeakPolarHBondContact O-CB 3.28Å; V351-W355 PolarHBondContact O-N 3.39Å
352I87.1Confident84.8Confident3 Ų354 Ų542%0.01528%0.278CS..Hα-helixtrans-65.9-48.8176.3-62.7174.2000110.2L338 Y342 I347 E348 E349 W355 Y356 M380 V381 L384L338-I352 HydrophobicContact CD1-CD1 4.11Å; L338-I352 HydrophobicContact CD1-CG1 4.16Å; L338-I352 HydrophobicContact CD2-CG2 4.06Å; L338-I352 HydrophobicContact CG-CD1 4.42Å; Y342-I352 HydrophobicContact CD2-CD1 3.86Å; Y342-I352 HydrophobicContact CG-CD1 4.37Å; I347-I352 HydrophobicContact CG2-CD1 4.14Å; I347-I352 HydrophobicContact CG2-CG1 3.59Å; E348-I352 WeakPolarHBondContact O-CG1 3.2Å; E348-I352 PolarHBondContact O-N 3.03Å; E349-I352 WeakPolarHBondContact O-CB 3.18Å; E349-I352 PolarHBondContact O-N 3.17Å; I352-W355 PolarHBondContact O-N 3.16Å; I352-Y356 WeakPolarHBondContact O-CB 3.42Å; I352-Y356 PolarHBondContact O-N 3.03Å; I352-M380 HydrophobicContact CD1-CE 4.1Å; I352-V381 HydrophobicContact CG2-CG2 4.37Å; I352-L384 HydrophobicContact CB-CD1 4.26Å; I352-L384 HydrophobicContact CD1-CD1 4.22Å; I352-L384 HydrophobicContact CG2-CD1 3.84Å
353L87.6Confident84.1Confident17 Ų1759.2 Ų59.29%0.08930%0.302CS..Hα-helixtrans-61.4-48.7177.2-65.9179.5000110.7E349 W355 Y356 D357 V381 L384 R385E349-L353 HydrophobicContact CG-CD1 3.88Å; E349-L353 HydrophobicContact CG-CG 4.19Å; E349-L353 WeakPolarHBondContact O-CG 3.35Å; E349-L353 PolarHBondContact O-N 3.48Å; L353-W355 VanDerWaalsContact C-N 3.27Å; L353-W355 PolarHBondContact O-N 2.79Å; L353-Y356 PolarHBondContact O-N 3.44Å; L353-Y356 VanDerWaalsContact O-N 3.1Å; L353-D357 WeakPolarHBondContact O-CB 3.34Å; L353-D357 PolarHBondContact O-N 3.43Å; L353-V381 HydrophobicContact CD2-CG1 3.86Å; L353-L384 HydrophobicContact CD2-CB 4.42Å; L353-R385 HydrophobicContact CD2-CG 3.82Å
354G86.3Confident83.3Confident27 Ų2757.2 Ų57.228%0.27829%0.289SS..Hα-helixtrans-65.2-25.1177.800000114.3D350 K358D350-G354 PolarHBondContact O-N 3.03Å; G354-K358 VanDerWaalsContact O-CD 3.24Å; G354-K358 WeakPolarHBondContact O-CD 3.16Å; G354-K358 WeakPolarHBondContact O-CE 3.35Å; G354-K358 WeakPolarHBondContact O-CG 3.22Å
355W85.9Confident83Confident36 Ų3656.6 Ų56.614%0.13629%0.285CS..Hα-helixtrans-75.1-44169.8165.974.9000111.4W315 L338 V351 I352 L353 K358 I373 L374 C377W315-W355 AromaticContact CD1-CD1 3.98Å; W315-W355 AromaticContact CD1-CD2 3.68Å; W315-W355 AromaticContact CD1-CE2 3.53Å; W315-W355 AromaticContact CD1-CZ2 3.95Å; W315-W355 AromaticContact CD1-NE1 3.69Å; W315-W355 AromaticContact CE2-CH2 3.88Å; W315-W355 AromaticContact CE2-CZ2 3.99Å; W315-W355 AromaticContact CZ2-CH2 3.88Å; W315-W355 HydrophobicContact CZ2-CH2 3.88Å; W315-W355 HydrophobicContact CZ2-CZ2 4.33Å; W315-W355 HydrophobicContact CZ2-CZ3 4.26Å; W315-W355 AromaticContact NE1-CD2 3.43Å; W315-W355 AromaticContact NE1-CE2 3.08Å; W315-W355 AromaticContact NE1-CE3 3.67Å; W315-W355 AromaticContact NE1-CH2 3.29Å; W315-W355 VanDerWaalsContact NE1-CH2 3.29Å; W315-W355 AromaticContact NE1-CZ2 3.03Å; W315-W355 AromaticContact NE1-CZ3 3.59Å; W315-W355 AromaticContact NE1-NE1 3.69Å; L338-W355 HydrophobicContact CD2-CZ3 4.39Å; V351-W355 VanDerWaalsContact O-CB 3.26Å; V351-W355 WeakPolarHBondContact O-CB 3.28Å; V351-W355 PolarHBondContact O-N 3.39Å; I352-W355 PolarHBondContact O-N 3.16Å; L353-W355 VanDerWaalsContact C-N 3.27Å; L353-W355 PolarHBondContact O-N 2.79Å; W355-K358 PolarHBondContact O-N 3.16Å; W355-I373 HydrophobicContact CH2-CG2 4.07Å; W355-I373 HydrophobicContact CZ2-CG2 4.39Å; W355-L374 HydrophobicContact CE3-CD2 4.36Å; W355-L374 HydrophobicContact CH2-CD2 3.48Å; W355-L374 VanDerWaalsContact CH2-CD2 3.48Å; W355-L374 HydrophobicContact CH2-CG 4.16Å; W355-L374 HydrophobicContact CZ2-CD2 3.66Å; W355-L374 HydrophobicContact CZ2-CG 4.16Å; W355-L374 HydrophobicContact CZ3-CD2 3.86Å; W355-C377 HydrophobicContact CZ3-CB 4.48Å
356Y84.7Confident82.8Confident59 Ų5954.8 Ų54.823%0.23128%0.279CS..Hα-helixtrans-63.8-42.6179.9-168.6-97.5000111.9I352 L353 K358 G359 L374 S378 V381I352-Y356 WeakPolarHBondContact O-CB 3.42Å; I352-Y356 PolarHBondContact O-N 3.03Å; L353-Y356 PolarHBondContact O-N 3.44Å; L353-Y356 VanDerWaalsContact O-N 3.1Å; Y356-K358 VanDerWaalsContact C-N 3.31Å; Y356-K358 PolarHBondContact O-N 3.32Å; Y356-G359 PolarHBondContact O-N 3.22Å; Y356-G359 VanDerWaalsContact O-N 3.11Å; Y356-L374 HydrophobicContact CD2-CD2 3.5Å; Y356-L374 HydrophobicContact CE2-CB 4.4Å; Y356-L374 HydrophobicContact CE2-CD2 3.94Å; Y356-L374 HydrophobicContact CG-CD2 4.28Å; Y356-S378 WeakPolarHBondContact OH-CB 3.32Å; Y356-S378 PolarHBondContact OH-OG 3.46Å; Y356-V381 HydrophobicContact CD1-CB 4.39Å; Y356-V381 HydrophobicContact CD1-CG1 3.72Å; Y356-V381 HydrophobicContact CD1-CG2 4.38Å; Y356-V381 HydrophobicContact CD2-CB 4.3Å; Y356-V381 HydrophobicContact CD2-CG1 4.44Å; Y356-V381 HydrophobicContact CD2-CG2 3.6Å; Y356-V381 HydrophobicContact CE1-CB 4.49Å; Y356-V381 HydrophobicContact CE1-CG1 4.03Å; Y356-V381 HydrophobicContact CE2-CB 4.41Å; Y356-V381 HydrophobicContact CE2-CG2 4.05Å; Y356-V381 HydrophobicContact CG-CB 4.28Å; Y356-V381 HydrophobicContact CG-CG1 3.93Å; Y356-V381 HydrophobicContact CG-CG2 3.77Å
357D85.3Confident82.5Confident106 Ų10662.4 Ų62.457%0.56731%0.308SS*.Hα-helixtrans-67.8-27.4-179.2-71.8-27.4000113.6L353 G359 R385L353-D357 WeakPolarHBondContact O-CB 3.34Å; L353-D357 PolarHBondContact O-N 3.43Å; D357-G359 PolarHBondContact O-N 3.44Å; D357-R385 IonicContact OD1-CZ 3.69Å; D357-R385 IonicContact OD1-NH2 3.32Å; D357-R385 PolarHBondContact OD1-NH2 2.87Å; D357-R385 IonicContact OD2-NH2 2.8Å
358K82.4Confident82.3Confident159 Ų15969.4 Ų69.469%0.69134%0.341SS*.THydrogen-bonded Turntrans-68.3-17.3174.2-75.4169.1-171.4168.50112.9G354 W355 Y356G354-K358 VanDerWaalsContact O-CD 3.24Å; G354-K358 WeakPolarHBondContact O-CD 3.16Å; G354-K358 WeakPolarHBondContact O-CE 3.35Å; G354-K358 WeakPolarHBondContact O-CG 3.22Å; W355-K358 PolarHBondContact O-N 3.16Å; Y356-K358 VanDerWaalsContact C-N 3.31Å; Y356-K358 PolarHBondContact O-N 3.32Å
359G79.1Confident81.9Confident17 Ų1767.1 Ų67.118%0.17533%0.331CS..  trans70.6-168.3-179.300000113.8Y356 D357 S361Y356-G359 PolarHBondContact O-N 3.22Å; Y356-G359 VanDerWaalsContact O-N 3.11Å; D357-G359 PolarHBondContact O-N 3.44Å; G359-S361 PolarHBondContact O-N 3.02Å; G359-S361 VanDerWaalsContact O-N 3.16Å
360P75.2Confident81.7Confident55 Ų5565.8 Ų65.836%0.35733%0.325SS..SBendtrans-67.8116-171.726.2-33.4000111.1R367 S370 A371 L374P360-R367 HydrophobicContact CB-CG 4.03Å; P360-R367 HydrophobicContact CG-CG 4.42Å; P360-S370 WeakPolarHBondContact CA-OG 3.49Å; P360-A371 HydrophobicContact CB-CB 4.32Å; P360-L374 HydrophobicContact CB-CD1 4.03Å
361S74.8Confident81.5Confident44 Ų4464.8 Ų64.831%0.30833%0.326SS..  trans-109.4140.5-176-171.10000111.3G359 K363 S370G359-S361 PolarHBondContact O-N 3.02Å; G359-S361 VanDerWaalsContact O-N 3.16Å; S361-K363 VanDerWaalsContact C-N 3.27Å; S361-K363 PolarHBondContact O-N 3.26Å; S361-K363 WeakPolarHBondContact OG-CG 3.45Å; S361-K363 PolarHBondContact OG-N 3.42Å; S361-S370 PolarHBondContact N-OG 3.43Å
362K77.5Confident81.4Confident164 Ų16470 Ų7071%0.71335%0.348SS*.THydrogen-bonded Turntrans-80.7-1.5174.4-67.7-176178.2-176.70113.9F364 R367K362-F364 VanDerWaalsContact C-N 3.27Å; K362-F364 PolarHBondContact O-N 3.13Å; K362-R367 HydrophobicContact CG-CB 4.23Å
363K74.7Confident81.3Confident171 Ų17170 Ų7074%0.74335%0.348SS*.THydrogen-bonded Turntrans-61.3-30.5-171-74.2-176.5-178.8-163.50114.8S361S361-K363 VanDerWaalsContact C-N 3.27Å; S361-K363 PolarHBondContact O-N 3.26Å; S361-K363 WeakPolarHBondContact OG-CG 3.45Å; S361-K363 PolarHBondContact OG-N 3.42Å
364F73.8Confident81.2Confident42 Ų4269.9 Ų69.918%0.18435%0.347CS..THydrogen-bonded Turntrans-123.9-34.7-175.6-63-71.3000113.1L273 I312 Y313 G316 K320 K362L273-F364 HydrophobicContact CD2-CE1 4.44Å; I312-F364 HydrophobicContact CG2-CE2 3.98Å; I312-F364 HydrophobicContact CG2-CZ 4.25Å; Y313-F364 AromaticContact CD1-CE1 3.66Å; Y313-F364 HydrophobicContact CD1-CE1 3.66Å; Y313-F364 AromaticContact CD1-CZ 3.83Å; Y313-F364 HydrophobicContact CD1-CZ 3.83Å; Y313-F364 AromaticContact CE1-CE1 3.97Å; Y313-F364 HydrophobicContact CE1-CE1 3.97Å; Y313-F364 HydrophobicContact CE1-CZ 4.11Å; Y313-F364 HydrophobicContact CG-CZ 4.4Å; G316-F364 VanDerWaalsContact CA-CG 3.47Å; K320-F364 WeakPolarHBondContact CE-O 3.49Å; K320-F364 HydrophobicContact CG-CB 4.36Å; K320-F364 VanDerWaalsContact CG-O 3.25Å; K320-F364 WeakPolarHBondContact CG-O 3.28Å; K362-F364 VanDerWaalsContact C-N 3.27Å; K362-F364 PolarHBondContact O-N 3.13Å
365V79.2Confident81.1Confident9 Ų971.9 Ų71.96%0.05536%0.361CS..SBendtrans-145.5154.8-166.5169.40000108.2A319 K320 E323 L369A319-V365 VanDerWaalsContact C-CG2 3.41Å; A319-V365 HydrophobicContact CB-CG2 3.63Å; A319-V365 WeakPolarHBondContact O-CG2 3.41Å; K320-V365 HydrophobicContact CG-CG2 4.33Å; E323-V365 HydrophobicContact CB-CG2 4.46Å; V365-L369 HydrophobicContact CG1-CB 3.53Å; V365-L369 HydrophobicContact CG1-CD2 3.54Å; V365-L369 HydrophobicContact CG1-CG 3.67Å
366S82.6Confident81.2Confident56 Ų5676.7 Ų76.739%0.39238%0.379SS..  trans-49.2142.5172.259.60000112.9E323 E368 L369 S370E323-S366 PolarHBondContact OE1-N 3.3Å; E323-S366 PolarHBondContact OE1-OG 3.38Å; S366-E368 PolarHBondContact O-N 3.05Å; S366-E368 VanDerWaalsContact O-N 3.11Å; S366-L369 PolarHBondContact O-N 3.49Å; S366-L369 VanDerWaalsContact O-N 3.13Å; S366-L369 WeakPolarHBondContact OG-CB 3.3Å; S366-S370 PolarHBondContact O-N 3.49Å
367R80.8Confident81.2Confident159 Ų15973.9 Ų73.960%0.637%0.368SS*.Hα-helixtrans-56.6-33.5-176.2-169.2178.8178.91750.4112.5P360 K362 A371P360-R367 HydrophobicContact CB-CG 4.03Å; P360-R367 HydrophobicContact CG-CG 4.42Å; K362-R367 HydrophobicContact CG-CB 4.23Å; R367-A371 WeakPolarHBondContact O-CB 3.32Å; R367-A371 PolarHBondContact O-N 3.02Å
368E82.2Confident81.2Confident151 Ų15170.8 Ų70.871%0.70636%0.355SS*.Hα-helixtrans-68.8-45.5178.7-63.1-176.7-175.200112.6S366 A371 K372S366-E368 PolarHBondContact O-N 3.05Å; S366-E368 VanDerWaalsContact O-N 3.11Å; E368-A371 PolarHBondContact O-N 3.42Å; E368-K372 WeakPolarHBondContact O-CG 3.32Å; E368-K372 PolarHBondContact O-N 3.35Å; E368-K372 VanDerWaalsContact O-N 3.08Å
369L80.9Confident81.3Confident19 Ų1967.5 Ų67.510%0.09935%0.35CS..Hα-helixtrans-71.3-36.7178.8-178.164000110.8E323 V331 V365 S366 A371 K372 I373E323-L369 HydrophobicContact CB-CD2 3.55Å; E323-L369 HydrophobicContact CG-CD2 3.74Å; V331-L369 HydrophobicContact CG2-CD1 3.89Å; V365-L369 HydrophobicContact CG1-CB 3.53Å; V365-L369 HydrophobicContact CG1-CD2 3.54Å; V365-L369 HydrophobicContact CG1-CG 3.67Å; S366-L369 PolarHBondContact O-N 3.49Å; S366-L369 VanDerWaalsContact O-N 3.13Å; S366-L369 WeakPolarHBondContact OG-CB 3.3Å; L369-A371 VanDerWaalsContact C-N 3.32Å; L369-A371 PolarHBondContact O-N 3.13Å; L369-K372 HydrophobicContact CD1-CD 4.45Å; L369-K372 WeakPolarHBondContact O-CB 3.5Å; L369-K372 PolarHBondContact O-N 2.78Å; L369-I373 HydrophobicContact CG-CD1 4.19Å; L369-I373 WeakPolarHBondContact O-CG1 3.38Å; L369-I373 PolarHBondContact O-N 3.41Å
370S81.5Confident81.7Confident9 Ų967.2 Ų67.26%0.06334%0.344CS..Hα-helixtrans-57.6-44171-176.60000111.8P360 S361 S366 K372 I373 L374P360-S370 WeakPolarHBondContact CA-OG 3.49Å; S361-S370 PolarHBondContact N-OG 3.43Å; S366-S370 PolarHBondContact O-N 3.49Å; S370-K372 PolarHBondContact O-N 2.72Å; S370-I373 PolarHBondContact O-N 3.45Å; S370-L374 WeakPolarHBondContact O-CG 3.32Å; S370-L374 PolarHBondContact O-N 3.04Å
371A83.8Confident82.2Confident44 Ų4464.7 Ų64.736%0.36433%0.328SS..Hα-helixtrans-63.4-39.3175.700000112.8P360 R367 E368 L369 L374 A375P360-A371 HydrophobicContact CB-CB 4.32Å; R367-A371 WeakPolarHBondContact O-CB 3.32Å; R367-A371 PolarHBondContact O-N 3.02Å; E368-A371 PolarHBondContact O-N 3.42Å; L369-A371 VanDerWaalsContact C-N 3.32Å; L369-A371 PolarHBondContact O-N 3.13Å; A371-L374 PolarHBondContact O-N 3Å; A371-A375 WeakPolarHBondContact O-CB 3.18Å; A371-A375 PolarHBondContact O-N 2.89Å
372K84.3Confident82.8Confident122 Ų12265.9 Ų65.953%0.5333%0.333SS..Hα-helixtrans-63.3-43.3174.4-70.5172.6-176.4169.90111.8V331 E368 L369 S370 A375 R376V331-K372 HydrophobicContact CG1-CB 4.35Å; E368-K372 WeakPolarHBondContact O-CG 3.32Å; E368-K372 PolarHBondContact O-N 3.35Å; E368-K372 VanDerWaalsContact O-N 3.08Å; L369-K372 HydrophobicContact CD1-CD 4.45Å; L369-K372 WeakPolarHBondContact O-CB 3.5Å; L369-K372 PolarHBondContact O-N 2.78Å; S370-K372 PolarHBondContact O-N 2.72Å; K372-A375 PolarHBondContact O-N 3.36Å; K372-R376 WeakPolarHBondContact O-CG 3.07Å; K372-R376 PolarHBondContact O-N 3.49Å
373I84.8Confident83.3Confident3 Ų364 Ų642%0.01532%0.322CS..Hα-helixtrans-63.3-46177.2-66.3167000110.2W315 A319 I322 A334 W355 L369 S370 A375 R376 C377W315-I373 HydrophobicContact CZ2-CG2 3.9Å; A319-I373 HydrophobicContact CB-CD1 4.25Å; I322-I373 HydrophobicContact CD1-CD1 4.33Å; I322-I373 HydrophobicContact CG2-CD1 4.37Å; A334-I373 HydrophobicContact CB-CG2 4.22Å; W355-I373 HydrophobicContact CH2-CG2 4.07Å; W355-I373 HydrophobicContact CZ2-CG2 4.39Å; L369-I373 HydrophobicContact CG-CD1 4.19Å; L369-I373 WeakPolarHBondContact O-CG1 3.38Å; L369-I373 PolarHBondContact O-N 3.41Å; S370-I373 PolarHBondContact O-N 3.45Å; I373-A375 VanDerWaalsContact C-N 3.33Å; I373-A375 PolarHBondContact O-N 2.92Å; I373-R376 PolarHBondContact O-N 2.86Å; I373-R376 VanDerWaalsContact O-N 3.12Å; I373-C377 WeakPolarHBondContact O-CB 3.39Å; I373-C377 PolarHBondContact O-N 3.28Å; I373-C377 PolarHBondContact O-SG 3.41Å; I373-C377 VanDerWaalsContact O-SG 3.41Å
374L84.9Confident83.8Confident16 Ų1655.9 Ų55.98%0.08429%0.286CS..Hα-helixtrans-58.7-43.1176.5-73.6167.6000112.1W355 Y356 P360 S370 A371 R376 C377 S378W355-L374 HydrophobicContact CE3-CD2 4.36Å; W355-L374 HydrophobicContact CH2-CD2 3.48Å; W355-L374 VanDerWaalsContact CH2-CD2 3.48Å; W355-L374 HydrophobicContact CH2-CG 4.16Å; W355-L374 HydrophobicContact CZ2-CD2 3.66Å; W355-L374 HydrophobicContact CZ2-CG 4.16Å; W355-L374 HydrophobicContact CZ3-CD2 3.86Å; Y356-L374 HydrophobicContact CD2-CD2 3.5Å; Y356-L374 HydrophobicContact CE2-CB 4.4Å; Y356-L374 HydrophobicContact CE2-CD2 3.94Å; Y356-L374 HydrophobicContact CG-CD2 4.28Å; P360-L374 HydrophobicContact CB-CD1 4.03Å; S370-L374 WeakPolarHBondContact O-CG 3.32Å; S370-L374 PolarHBondContact O-N 3.04Å; A371-L374 PolarHBondContact O-N 3Å; L374-R376 VanDerWaalsContact C-N 3.31Å; L374-R376 PolarHBondContact O-N 3.28Å; L374-C377 PolarHBondContact O-N 3.46Å; L374-S378 PolarHBondContact O-N 3.46Å
375A85.6Confident84.4Confident69 Ų6958.6 Ų58.657%0.5730%0.295SS*.Hα-helixtrans-62.1-38.7176.200000112.2A371 K372 I373A371-A375 WeakPolarHBondContact O-CB 3.18Å; A371-A375 PolarHBondContact O-N 2.89Å; K372-A375 PolarHBondContact O-N 3.36Å; I373-A375 VanDerWaalsContact C-N 3.33Å; I373-A375 PolarHBondContact O-N 2.92Å
376R86.3Confident84.7Confident136 Ų13663 Ų6351%0.51332%0.316SS..Hα-helixtrans-73-32.2176.8-69.9-58.2-162.7-168.53.2113.6V331 D332 K372 I373 L374 P379V331-R376 HydrophobicContact CG1-CG 4.32Å; D332-R376 IonicContact OD1-CZ 3.21Å; D332-R376 IonicContact OD1-NE 3.13Å; D332-R376 PolarHBondContact OD1-NE 3.4Å; D332-R376 VanDerWaalsContact OD1-NE 3.13Å; D332-R376 IonicContact OD1-NH2 2.73Å; D332-R376 PolarHBondContact OD1-NH2 3.32Å; K372-R376 WeakPolarHBondContact O-CG 3.07Å; K372-R376 PolarHBondContact O-N 3.49Å; I373-R376 PolarHBondContact O-N 2.86Å; I373-R376 VanDerWaalsContact O-N 3.12Å; L374-R376 VanDerWaalsContact C-N 3.31Å; L374-R376 PolarHBondContact O-N 3.28Å; R376-P379 WeakPolarHBondContact O-CD 3.36Å
377C86Confident84.6Confident0 Ų061.9 Ų61.90%031%0.309CS..Hα-helixtrans-84.5-10179.5-69.30000113.7L338 W355 I373 L374 P379 M380 V381L338-C377 HydrophobicContact CD2-CB 4.16Å; W355-C377 HydrophobicContact CZ3-CB 4.48Å; I373-C377 WeakPolarHBondContact O-CB 3.39Å; I373-C377 PolarHBondContact O-N 3.28Å; I373-C377 PolarHBondContact O-SG 3.41Å; I373-C377 VanDerWaalsContact O-SG 3.41Å; L374-C377 PolarHBondContact O-N 3.46Å; C377-P379 VanDerWaalsContact C-CD 3.43Å; C377-P379 VanDerWaalsContact C-N 3.35Å; C377-M380 PolarHBondContact O-N 3.14Å; C377-V381 PolarHBondContact O-N 2.89Å
378S84Confident84.1Confident42 Ų4258.6 Ų58.629%0.29430%0.301SS..Hα-helixtrans-49-44.8179177.80000114.2Y356 L374 M380 V381 T382Y356-S378 WeakPolarHBondContact OH-CB 3.32Å; Y356-S378 PolarHBondContact OH-OG 3.46Å; L374-S378 PolarHBondContact O-N 3.46Å; S378-M380 VanDerWaalsContact C-N 3.29Å; S378-M380 PolarHBondContact O-N 2.97Å; S378-V381 PolarHBondContact O-N 3.47Å; S378-T382 PolarHBondContact O-N 3.17Å; S378-T382 PolarHBondContact O-OG1 3.38Å; S378-T382 VanDerWaalsContact O-OG1 3.11Å
379P86Confident83.4Confident89 Ų8957.3 Ų57.358%0.57830%0.295SS*.Hα-helixtrans-60.9-35.5178.7-23.534.9000113.8R376 C377 W383R376-P379 WeakPolarHBondContact O-CD 3.36Å; C377-P379 VanDerWaalsContact C-CD 3.43Å; C377-P379 VanDerWaalsContact C-N 3.35Å; P379-W383 PolarHBondContact O-N 3.38Å; P379-W383 VanDerWaalsContact O-N 3.12Å
380M86.1Confident82.3Confident11 Ų1163.3 Ų63.35%0.05432%0.322CS..Hα-helixtrans-71.7-38.5178.4178.4175.4171.300111.5L338 K339 Y342 I352 C377 S378 W383 L384L338-M380 HydrophobicContact CB-CE 4.39Å; L338-M380 HydrophobicContact CB-SD 3.78Å; L338-M380 HydrophobicContact CD2-CE 4.29Å; L338-M380 HydrophobicContact CD2-SD 3.73Å; L338-M380 HydrophobicContact CG-CE 3.79Å; L338-M380 HydrophobicContact CG-SD 3.59Å; L338-M380 VanDerWaalsContact CG-SD 3.59Å; K339-M380 HydrophobicContact CB-CE 4.3Å; K339-M380 HydrophobicContact CB-SD 3.91Å; K339-M380 PolarHBondContact N-SD 3.43Å; Y342-M380 HydrophobicContact CD1-CE 4.49Å; Y342-M380 HydrophobicContact CG-CE 4.1Å; I352-M380 HydrophobicContact CD1-CE 4.1Å; C377-M380 PolarHBondContact O-N 3.14Å; S378-M380 VanDerWaalsContact C-N 3.29Å; S378-M380 PolarHBondContact O-N 2.97Å; M380-W383 WeakPolarHBondContact O-CB 3.22Å; M380-W383 PolarHBondContact O-N 2.8Å; M380-L384 HydrophobicContact CE-CD1 4.24Å; M380-L384 HydrophobicContact CG-CD1 4.47Å; M380-L384 WeakPolarHBondContact O-CG 3.38Å; M380-L384 PolarHBondContact O-N 3.13Å
381V86.1Confident81.3Confident3 Ų370.2 Ų70.22%0.01835%0.353CS..Hα-helixtrans-68.4-38.7177.7173.90000111.4I352 L353 Y356 C377 S378 W383 L384 R385I352-V381 HydrophobicContact CG2-CG2 4.37Å; L353-V381 HydrophobicContact CD2-CG1 3.86Å; Y356-V381 HydrophobicContact CD1-CB 4.39Å; Y356-V381 HydrophobicContact CD1-CG1 3.72Å; Y356-V381 HydrophobicContact CD1-CG2 4.38Å; Y356-V381 HydrophobicContact CD2-CB 4.3Å; Y356-V381 HydrophobicContact CD2-CG1 4.44Å; Y356-V381 HydrophobicContact CD2-CG2 3.6Å; Y356-V381 HydrophobicContact CE1-CB 4.49Å; Y356-V381 HydrophobicContact CE1-CG1 4.03Å; Y356-V381 HydrophobicContact CE2-CB 4.41Å; Y356-V381 HydrophobicContact CE2-CG2 4.05Å; Y356-V381 HydrophobicContact CG-CB 4.28Å; Y356-V381 HydrophobicContact CG-CG1 3.93Å; Y356-V381 HydrophobicContact CG-CG2 3.77Å; C377-V381 PolarHBondContact O-N 2.89Å; S378-V381 PolarHBondContact O-N 3.47Å; V381-W383 VanDerWaalsContact C-N 3.29Å; V381-W383 PolarHBondContact O-N 3.16Å; V381-L384 PolarHBondContact O-N 3.26Å; V381-R385 WeakPolarHBondContact O-CG 3.37Å; V381-R385 PolarHBondContact O-N 2.85Å
382T87.5Confident80.1Confident69 Ų6970.9 Ų70.942%0.42336%0.355SS..Hα-helixtrans-60.5-41.7171.9-55.20000111.3S378 Q386S378-T382 PolarHBondContact O-N 3.17Å; S378-T382 PolarHBondContact O-OG1 3.38Å; S378-T382 VanDerWaalsContact O-OG1 3.11Å; T382-Q386 VanDerWaalsContact O-CG 3.32Å; T382-Q386 WeakPolarHBondContact O-CG 3.48Å; T382-Q386 PolarHBondContact O-N 2.85Å; T382-Q386 VanDerWaalsContact O-N 3.15Å
383W88.2Confident78.5Confident124 Ų12471.4 Ų71.447%0.4736%0.36SS..Hα-helixtrans-64-41.4176.7174.472.9000112.9Y342 P379 M380 V381 Q386 A387Y342-W383 HydrophobicContact CD1-CZ3 4.2Å; Y342-W383 AromaticContact CE1-CH2 3.89Å; Y342-W383 HydrophobicContact CE1-CH2 3.89Å; Y342-W383 AromaticContact CE1-CZ3 3.75Å; Y342-W383 HydrophobicContact CE1-CZ3 3.75Å; P379-W383 PolarHBondContact O-N 3.38Å; P379-W383 VanDerWaalsContact O-N 3.12Å; M380-W383 WeakPolarHBondContact O-CB 3.22Å; M380-W383 PolarHBondContact O-N 2.8Å; V381-W383 VanDerWaalsContact C-N 3.29Å; V381-W383 PolarHBondContact O-N 3.16Å; W383-Q386 PolarHBondContact O-N 3.15Å; W383-A387 PolarHBondContact O-N 2.7Å
384L86.2Confident77.1Confident0 Ų074.7 Ų74.70%038%0.383CS..Hα-helixtrans-62.8-49.6176.3-74.6173.8000111.8Y342 E349 I352 L353 M380 V381 Q386 A387 E388Y342-L384 HydrophobicContact CD2-CD2 4.41Å; Y342-L384 HydrophobicContact CE1-CD2 4.03Å; Y342-L384 HydrophobicContact CE2-CD2 3.84Å; E349-L384 HydrophobicContact CG-CB 4.45Å; E349-L384 HydrophobicContact CG-CD2 4.25Å; E349-L384 WeakPolarHBondContact OE1-CB 3.22Å; E349-L384 VanDerWaalsContact OE1-O 3.12Å; I352-L384 HydrophobicContact CB-CD1 4.26Å; I352-L384 HydrophobicContact CD1-CD1 4.22Å; I352-L384 HydrophobicContact CG2-CD1 3.84Å; L353-L384 HydrophobicContact CD2-CB 4.42Å; M380-L384 HydrophobicContact CE-CD1 4.24Å; M380-L384 HydrophobicContact CG-CD1 4.47Å; M380-L384 WeakPolarHBondContact O-CG 3.38Å; M380-L384 PolarHBondContact O-N 3.13Å; V381-L384 PolarHBondContact O-N 3.26Å; L384-Q386 VanDerWaalsContact C-N 3.28Å; L384-Q386 PolarHBondContact O-N 3.07Å; L384-A387 WeakPolarHBondContact O-CA 3.07Å; L384-A387 WeakPolarHBondContact O-CB 3.42Å; L384-A387 PolarHBondContact O-N 3.4Å; L384-E388 PolarHBondContact O-N 3.01Å; L384-E388 VanDerWaalsContact O-N 3.12Å
385R86.4Confident75.6Confident100 Ų10077.9 Ų77.938%0.37741%0.407SS..Hα-helixtrans-59.3-37.3178.4-70.5-178.4180-174.5-1.5113.7L353 D357 V381 A387 E388 E389L353-R385 HydrophobicContact CD2-CG 3.82Å; D357-R385 IonicContact OD1-CZ 3.69Å; D357-R385 IonicContact OD1-NH2 3.32Å; D357-R385 PolarHBondContact OD1-NH2 2.87Å; D357-R385 IonicContact OD2-NH2 2.8Å; V381-R385 WeakPolarHBondContact O-CG 3.37Å; V381-R385 PolarHBondContact O-N 2.85Å; R385-A387 VanDerWaalsContact C-N 3.32Å; R385-E388 PolarHBondContact O-N 2.81Å; R385-E389 PolarHBondContact O-N 2.99Å
386Q85.4Confident74Confident102 Ų10281.2 Ų81.248%0.47741%0.411SS..Hα-helixtrans-67.1-35176-74.2174.8-17.500111.9T382 W383 L384 E389 E390T382-Q386 VanDerWaalsContact O-CG 3.32Å; T382-Q386 WeakPolarHBondContact O-CG 3.48Å; T382-Q386 PolarHBondContact O-N 2.85Å; T382-Q386 VanDerWaalsContact O-N 3.15Å; W383-Q386 PolarHBondContact O-N 3.15Å; L384-Q386 VanDerWaalsContact C-N 3.28Å; L384-Q386 PolarHBondContact O-N 3.07Å; Q386-E389 PolarHBondContact O-N 3.14Å; Q386-E390 WeakPolarHBondContact O-CG 3.4Å; Q386-E390 PolarHBondContact O-N 2.83Å; Q386-E390 VanDerWaalsContact O-N 3.14Å
387A79Confident72.3Confident31 Ų3182.6 Ų82.626%0.25642%0.423SS..Hα-helixtrans-67.1-39176.300000112W383 L384 R385 E390 E391W383-A387 PolarHBondContact O-N 2.7Å; L384-A387 WeakPolarHBondContact O-CA 3.07Å; L384-A387 WeakPolarHBondContact O-CB 3.42Å; L384-A387 PolarHBondContact O-N 3.4Å; R385-A387 VanDerWaalsContact C-N 3.32Å; A387-E390 PolarHBondContact O-N 3.38Å; A387-E391 PolarHBondContact O-N 2.79Å; A387-E391 VanDerWaalsContact O-N 3.14Å
388E70.5Confident70.6Confident90 Ų9090.7 Ų90.742%0.42146%0.461SS..Hα-helixtrans-62.9-41.1173.7-84.4-176.316700112.5E349 L384 R385 E391 S392E349-E388 WeakPolarHBondContact OE1-CG 3.12Å; L384-E388 PolarHBondContact O-N 3.01Å; L384-E388 VanDerWaalsContact O-N 3.12Å; R385-E388 PolarHBondContact O-N 2.81Å; E388-E391 PolarHBondContact O-N 3.46Å; E388-S392 PolarHBondContact O-N 3.09Å; E388-S392 VanDerWaalsContact O-N 3.09Å; E388-S392 PolarHBondContact O-OG 2.8Å
389E66.9Low68.9Low125 Ų12593.4 Ų93.458%0.58448%0.48SS*.Hα-helixtrans-62.5-45177.4-73.6175-177.700111.2R385 Q386 E391 S392 E393R385-E389 PolarHBondContact O-N 2.99Å; Q386-E389 PolarHBondContact O-N 3.14Å; E389-E391 PolarHBondContact O-N 3.35Å; E389-S392 PolarHBondContact O-N 2.76Å; E389-S392 PolarHBondContact O-OG 3.32Å; E389-E393 PolarHBondContact O-N 2.77Å
390E58.7Low67Low144 Ų14497.1 Ų97.167%0.67349%0.489SS*.Hα-helixtrans-64-37.8178.2-72.3-178.2-175.700113.3Q386 A387 S394Q386-E390 WeakPolarHBondContact O-CG 3.4Å; Q386-E390 PolarHBondContact O-N 2.83Å; Q386-E390 VanDerWaalsContact O-N 3.14Å; A387-E390 PolarHBondContact O-N 3.38Å; E390-S394 WeakPolarHBondContact O-CB 3.45Å; E390-S394 PolarHBondContact O-N 3.25Å
391E59.9Low64.8Low154 Ų154102 Ų10272%0.7252%0.52SS*.Hα-helixtrans-68.5-35.9175.2-74.8-169175.500112.2A387 E388 E389 S395A387-E391 PolarHBondContact O-N 2.79Å; A387-E391 VanDerWaalsContact O-N 3.14Å; E388-E391 PolarHBondContact O-N 3.46Å; E389-E391 PolarHBondContact O-N 3.35Å; E391-S395 PolarHBondContact O-N 3.01Å
392S58.7Low62.7Low58 Ų58110.3 Ų110.341%0.40656%0.564SS.*Hα-helixtrans-68.5-43.7178.272.10000112.6E388 E389 S394 S395 E396E388-S392 PolarHBondContact O-N 3.09Å; E388-S392 VanDerWaalsContact O-N 3.09Å; E388-S392 PolarHBondContact O-OG 2.8Å; E389-S392 PolarHBondContact O-N 2.76Å; E389-S392 PolarHBondContact O-OG 3.32Å; S392-S394 PolarHBondContact O-N 3.28Å; S392-S395 PolarHBondContact O-N 2.96Å; S392-S395 PolarHBondContact O-OG 3.08Å; S392-E396 PolarHBondContact O-N 3.1Å
393E52.3Low60.4Low134 Ų134110.6 Ų110.663%0.62658%0.581SS**Hα-helixtrans-66-38.7178.4-71.3-170.3158.900112.1E389 S395 E396 E397E389-E393 PolarHBondContact O-N 2.77Å; E393-S395 VanDerWaalsContact C-N 3.29Å; E393-S395 PolarHBondContact O-N 2.93Å; E393-E396 PolarHBondContact O-N 2.77Å; E393-E397 PolarHBondContact O-N 3.32Å
394S54.1Low58.3Low71 Ų71113.1 Ų113.150%0.49760%0.597SS.*Hα-helixtrans-63.2-33.6177-175.80000112.9E390 S392E390-S394 WeakPolarHBondContact O-CB 3.45Å; E390-S394 PolarHBondContact O-N 3.25Å; S392-S394 PolarHBondContact O-N 3.28Å
395S53Low55.8Low83 Ų83118.2 Ų118.258%0.5863%0.629SS**Hα-helixtrans-76.8-21.9179.771.80000114.3E391 S392 E393E391-S395 PolarHBondContact O-N 3.01Å; S392-S395 PolarHBondContact O-N 2.96Å; S392-S395 PolarHBondContact O-OG 3.08Å; E393-S395 VanDerWaalsContact C-N 3.29Å; E393-S395 PolarHBondContact O-N 2.93Å
396E52Low53.7Low140 Ų140120.6 Ų120.665%0.65465%0.647SS**Hα-helixtrans-81.7-35.2176-67.9-171.8171.400111.5S392 E393 E398 S399S392-E396 PolarHBondContact O-N 3.1Å; E393-E396 PolarHBondContact O-N 2.77Å; E396-E398 PolarHBondContact O-N 3.17Å; E396-S399 PolarHBondContact O-N 2.9Å; E396-S399 PolarHBondContact O-OG 3.01Å
397E50.6Low51.5Low165 Ų165121.2 Ų121.277%0.77166%0.658SS**Hα-helixtrans-71.5-23-179.3-68.3-165.3167.800114.4E393 S399E393-E397 PolarHBondContact O-N 3.32Å; E397-S399 VanDerWaalsContact C-N 3.34Å; E397-S399 PolarHBondContact O-N 3.14Å
398E51.4Low49.8Very low170 Ų170128.2 Ų128.279%0.79469%0.686SS**THydrogen-bonded Turntrans-82-5.9178.7-69.4-158.3158.100114.6E396E396-E398 PolarHBondContact O-N 3.17Å
399S48.1Very low48.2Very low99 Ų99129.7 Ų129.769%0.69270%0.703SS**THydrogen-bonded Turntrans-98.4-6.9-178.4730000115E396 E397E396-S399 PolarHBondContact O-N 2.9Å; E396-S399 PolarHBondContact O-OG 3.01Å; E397-S399 VanDerWaalsContact C-N 3.34Å; E397-S399 PolarHBondContact O-N 3.14Å
400E46Very low47Very low167 Ų167132 Ų13278%0.7872%0.717SS**  trans-10651.2-173.9-62.9-158.4143.900114.2
401T40.6Very low46.1Very low114 Ų114133.6 Ų133.670%0.69973%0.731SS**SBendtrans-141.585.5161.945.90000112
402N40.8Very low44.9Very low176 Ų176129.8 Ų129.894%0.94173%0.733SS**SBendtrans161.8106.4141.5-84.1-37.2000110.8
403G39.1Very low44Very low75 Ų75132.2 Ų132.277%0.77375%0.75SS**  trans14481.2157.900000117.4
404H44Very low43.3Very low177 Ų177133.4 Ų133.482%0.81976%0.761SS**  trans54.4101.2133.5-14056.1000120.3
405T34.5Very low42.3Very low108 Ų108137.9 Ų137.966%0.66378%0.779SS**  38.7115.9125.7-41.30000118.9
406I41.6Very low41.6Very low150 Ų150138.2 Ų138.277%0.76979%0.787SS**  173.8122.1119.8-84.6158.6000110.4
407T40.4Very low41Very low115 Ų115137 Ų13771%0.70679%0.793SS**  trans-9150.4154.853.50000118.7
408Q42.3Very low40.3Very low177 Ų177135.7 Ų135.783%0.82780%0.797SS**  cis-170.916517.8-112.3172.129.800107.6
409P37Very low39.7Very low121 Ų121133 Ų13379%0.78679%0.794SS**  trans-97.2152.4-170.437.2-31.7000114.7
410I42.4Very low39.1Very low173 Ų173133.1 Ų133.189%0.88780%0.801SS**  trans-135125.3164.640171.4000111.7
411N39.2Very low38.6Very low178 Ų178131.6 Ų131.695%0.95280%0.803SS**  trans-65.3143.5174.2-117.9-11.1000112.1
412G35.8Very low38.2Very low75 Ų75133.7 Ų133.777%0.77381%0.81SS**  trans-174.785172.200000113.1
413S38.1Very low38.1Very low109 Ų109131.8 Ų131.876%0.76280%0.804SS**  trans-60136.7169.3-166.60000111.6
414N37.7Very low38.1Very low158 Ų158133.6 Ų133.685%0.84580%0.8SS**  trans179.7131.2134.6-87.8-22.2000113.3
415N33.8Very low37.5Very low166 Ų166132 Ų13289%0.88880%0.798SS**  trans-40.7143.4166.6-87.5-30.2000115.7
416A37.3Very low37.8Very low89 Ų89134.4 Ų134.474%0.73681%0.807SS**  trans-170.3107.6135.800000113.1
417S39.6Very low37.8Very low114 Ų114134.8 Ų134.880%0.79781%0.806SS**  trans50.9117.2133.859.40000122.1
418V36.9Very low38Very low138 Ų138136.3 Ų136.384%0.83681%0.809SS**PPolyproline II helixtrans-69.1144.3159.7-175.40000111.4
419P38.6Very low38.3Very low115 Ų115135.6 Ų135.675%0.74781%0.811SS**PPolyproline II helixtrans-100.1127159.431.8-20.6000111.4
420A35.3Very low38.7Very low100 Ų100138.2 Ų138.283%0.82682%0.818SS**PPolyproline II helixtrans-70.9137.6174.300000112.1
421T35.4Very low39.1Very low135 Ų135136 Ų13683%0.82881%0.813SS**  trans-97.7111.6166.3-11.20000108.8V423T421-V423 PolarHBondContact O-N 2.82Å
422N32.8Very low39.9Very low159 Ų159134.6 Ų134.685%0.8581%0.805SS**  trans-58.6123.7166.1-94.7-9.9000109.7
423V37.6Very low41.1Very low135 Ų135135.6 Ų135.682%0.81879%0.792SS**  trans-109.6117.3158.7-176.70000106T421T421-V423 PolarHBondContact O-N 2.82Å
424T38.9Very low42Very low113 Ų113137.7 Ų137.769%0.69380%0.795SS**  trans-65.5134.3176.439.50000110.7D426T424-D426 PolarHBondContact O-N 3Å
425D31.6Very low42.5Very low145 Ų145134.8 Ų134.878%0.77579%0.793SS**  trans-55.4119.1162.6-77.2-55000109.8E427D425-E427 HydrophobicContact CB-CG 4.5Å
426D42.3Very low42.6Very low158 Ų158136.3 Ų136.385%0.84580%0.798SS**  trans-104.291.4153.4-75.9-47.8000105.3T424T424-D426 PolarHBondContact O-N 3Å
427E41.6Very low42.9Very low158 Ų158138.7 Ų138.774%0.73880%0.802SS**  trans-64.6155.2159.9-66.2176.8139.600108.8D425D425-E427 HydrophobicContact CB-CG 4.5Å
428D44.8Very low43.1Very low147 Ų147139.9 Ų139.979%0.78680%0.802SS**  trans89.683.7172.1-50.1-34.6000117.3
429D47.1Very low43.4Very low162 Ų162140.1 Ų140.187%0.86680%0.8SS**  trans-162.653.8141.5-90.8-30.7000109.1V431D429-V431 PolarHBondContact O-N 2.8Å
430D46.7Very low43.7Very low175 Ų175141.5 Ų141.594%0.93680%0.803SS**  trans-79.194.9167.1-83.7-30.7000108.5
431V49.2Very low44.2Very low128 Ų128144.1 Ų144.178%0.77680%0.802SS**  trans-105.8107.3168.5-176.90000108.6D429 I433D429-V431 PolarHBondContact O-N 2.8Å; V431-I433 PolarHBondContact O-N 3.06Å
432D57.3Low44.8Very low147 Ų147144.7 Ų144.779%0.78680%0.8SS**  trans-56.3117.3171.6-92.4-35.8000110.7
433I59.9Low45.7Very low97 Ų97143.7 Ų143.750%0.49780%0.796SS.*  trans-102.55.8-179.8-150.2169.5000113V431 A435 I436V431-I433 PolarHBondContact O-N 3.06Å; I433-A435 PolarHBondContact O-N 3.47Å; I433-I436 HydrophobicContact CG1-CD1 4.15Å
434D57.9Low46.3Very low153 Ų153144.4 Ų144.482%0.81880%0.795SS**THydrogen-bonded Turntrans-75.821.3178.5-67.2-18.8000113.3
435A47.5Very low46.9Very low97 Ų97147 Ų14780%0.80280%0.803SS**THydrogen-bonded Turntrans-105.619.2175.700000113.4I433I433-A435 PolarHBondContact O-N 3.47Å
436I37Very low48.3Very low197 Ų197147.2 Ų147.2100%1.0181%0.806SS**  trans-114.30176.4-58.6178.4000110.9I433I433-I436 HydrophobicContact CG1-CD1 4.15Å

Retrieved 436 of 436 residues in 82.5 ms (Link to these results)

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