A0A3Q0KND7_SCHMA Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KND7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 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
1M38.4Very low68.4Low241 Ų241114.5 Ų114.5100%1.18765%0.652SS**  0120.80-71.9175-177.700107.6K3M1-K3 PolarHBondContact O-N 3.44Å
2S45.6Very low69.6Low115 Ų115110.4 Ų110.480%0.80462%0.623SS**PPolyproline II helixtrans-60.2129.6171.244.50000108.6
3K51Low70.9Confident193 Ų193108.4 Ų108.484%0.83961%0.609SS**PPolyproline II helixtrans-52.1130.8170-82.3-177.5174.4-178.40107.5M1 T5M1-K3 PolarHBondContact O-N 3.44Å; K3-T5 PolarHBondContact O-N 3.4Å
4P55.5Low72Confident120 Ų120100.6 Ų100.678%0.77957%0.565SS**PPolyproline II helixtrans-55.8119.7175.722.1-29.9000107.5I6P4-I6 PolarHBondContact O-N 3.03Å; P4-I6 VanDerWaalsContact O-N 3.13Å
5T67Low72.8Confident136 Ų136102.9 Ų102.983%0.83457%0.569SS**  trans-63.8114.9-180-4.30000107.1K3 P7K3-T5 PolarHBondContact O-N 3.4Å; T5-P7 WeakPolarHBondContact O-CD 3.39Å
6I78.4Confident73.4Confident86 Ų8697 Ų9744%0.44154%0.537SS..  trans-58.6123.6177.6-58.2167.7000107.1P4 T8 I13 F14 E15P4-I6 PolarHBondContact O-N 3.03Å; P4-I6 VanDerWaalsContact O-N 3.13Å; I6-T8 PolarHBondContact O-N 3.02Å; I6-I13 HydrophobicContact CB-CG2 4.34Å; I6-I13 HydrophobicContact CG2-CG2 3.38Å; I6-F14 WeakPolarHBondContact CG2-O 3.45Å; I6-E15 HydrophobicContact CD1-CG 4.36Å; I6-E15 HydrophobicContact CG2-CG 3.95Å
7P80.9Confident73.7Confident43 Ų4394.8 Ų94.828%0.27954%0.541SS..  trans-63.3130.1-175.819.3-27.2000110.4T5 F14 V23T5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-F14 WeakPolarHBondContact CD-O 3.47Å; P7-F14 HydrophobicContact CG-CB 4.24Å; P7-F14 WeakPolarHBondContact CG-O 3.45Å; P7-F14 PolarHBondContact O-N 3.45Å; P7-V23 HydrophobicContact CB-CB 4.09Å; P7-V23 HydrophobicContact CB-CG1 4.47Å; P7-V23 HydrophobicContact CB-CG2 4.26Å; P7-V23 HydrophobicContact CG-CB 4.19Å; P7-V23 HydrophobicContact CG-CG2 3.79Å
8T83.7Confident74.5Confident89 Ų8996.4 Ų96.455%0.54656%0.556SS.*EExtended strand (participates in β ladder)trans-109.7120.3173.2-59.30000108.5I6 Q12I6-T8 PolarHBondContact O-N 3.02Å; T8-Q12 CarbonylContact C-O 3.59Å; T8-Q12 WeakPolarHBondContact CA-O 3.43Å
9V84Confident75.5Confident18 Ų1893.1 Ų93.111%0.10953%0.533CS..EExtended strand (participates in β ladder)trans-119.9122.6178.8-179.60000108.3G11 Q12 F14 V23 Y25 V35V9-G11 PolarHBondContact O-N 3.45Å; V9-G11 VanDerWaalsContact O-N 3.11Å; V9-Q12 PolarHBondContact N-O 3.37Å; V9-Q12 PolarHBondContact O-N 3.13Å; V9-F14 HydrophobicContact CB-CD2 4.14Å; V9-F14 HydrophobicContact CB-CE2 4Å; V9-F14 HydrophobicContact CG2-CD2 4.32Å; V9-V23 HydrophobicContact CG2-CG1 4Å; V9-Y25 HydrophobicContact CG1-CD2 3.81Å; V9-Y25 HydrophobicContact CG1-CG 4.21Å; V9-V35 HydrophobicContact CB-CG1 4.22Å; V9-V35 HydrophobicContact CG1-CG1 4.04Å; V9-V35 HydrophobicContact CG2-CG1 4.12Å
10K84.7Confident76.4Confident151 Ų15188.8 Ų88.866%0.65751%0.508SS*.THydrogen-bonded Turntrans50.936.1-178.2-64.3-74.9-172.7170.20113.3Q12 Y25 I33K10-Q12 VanDerWaalsContact C-N 3.27Å; K10-Q12 PolarHBondContact O-N 3.22Å; K10-Y25 HydrophobicContact CG-CD2 3.95Å; K10-Y25 HydrophobicContact CG-CE2 3.97Å; K10-I33 HydrophobicContact CB-CD1 4.02Å
11G82.8Confident77.2Confident68 Ų6888.2 Ų88.270%0.70150%0.504SS*.THydrogen-bonded Turntrans79.9-0.7-179.500000115.2V9V9-G11 PolarHBondContact O-N 3.45Å; V9-G11 VanDerWaalsContact O-N 3.11Å
12Q83.5Confident79.7Confident65 Ų6583 Ų8330%0.30448%0.48SS..EExtended strand (participates in β ladder)trans-99.3137.4173.2-63.4-164.47.700111.6T8 V9 K10 F14 I33T8-Q12 CarbonylContact C-O 3.59Å; T8-Q12 WeakPolarHBondContact CA-O 3.43Å; V9-Q12 PolarHBondContact N-O 3.37Å; V9-Q12 PolarHBondContact O-N 3.13Å; K10-Q12 VanDerWaalsContact C-N 3.27Å; K10-Q12 PolarHBondContact O-N 3.22Å; Q12-F14 HydrophobicContact CB-CE2 4.23Å; Q12-I33 HydrophobicContact CB-CD1 4.05Å; Q12-I33 HydrophobicContact CG-CD1 3.65Å
13I85.9Confident82Confident84 Ų8478.9 Ų78.943%0.43145%0.45SS..EExtended strand (participates in β ladder)trans-80.4131.8177.6-57.2177.3000109.3I6 E15 K50I6-I13 HydrophobicContact CB-CG2 4.34Å; I6-I13 HydrophobicContact CG2-CG2 3.38Å; I13-E15 HydrophobicContact CG2-CG 3.82Å; I13-K50 PolarHBondContact O-NZ 2.83Å
14F87.2Confident84Confident0 Ų075 Ų750%044%0.435CS..  trans-113.491.6174.3-81.9-99000110.1I6 P7 V9 Q12 L16 I33 V35 K50 Y97I6-F14 WeakPolarHBondContact CG2-O 3.45Å; P7-F14 WeakPolarHBondContact CD-O 3.47Å; P7-F14 HydrophobicContact CG-CB 4.24Å; P7-F14 WeakPolarHBondContact CG-O 3.45Å; P7-F14 PolarHBondContact O-N 3.45Å; V9-F14 HydrophobicContact CB-CD2 4.14Å; V9-F14 HydrophobicContact CB-CE2 4Å; V9-F14 HydrophobicContact CG2-CD2 4.32Å; Q12-F14 HydrophobicContact CB-CE2 4.23Å; F14-L16 VanDerWaalsContact C-N 3.26Å; F14-L16 HydrophobicContact CB-CD1 4.02Å; F14-L16 HydrophobicContact CB-CG 4.07Å; F14-L16 HydrophobicContact CD1-CD1 3.77Å; F14-L16 HydrophobicContact CD1-CG 4.26Å; F14-L16 HydrophobicContact CG-CD1 4.36Å; F14-L16 PolarHBondContact O-N 3.24Å; F14-I33 HydrophobicContact CE2-CG2 4.21Å; F14-I33 HydrophobicContact CZ-CB 4.04Å; F14-I33 HydrophobicContact CZ-CG2 3.87Å; F14-V35 HydrophobicContact CD1-CG1 4.43Å; F14-V35 HydrophobicContact CD1-CG2 3.8Å; F14-V35 HydrophobicContact CE1-CB 4.31Å; F14-V35 HydrophobicContact CE1-CG1 3.81Å; F14-V35 HydrophobicContact CE1-CG2 3.48Å; F14-V35 VanDerWaalsContact CE1-CG2 3.48Å; F14-V35 HydrophobicContact CE2-CG1 3.96Å; F14-V35 HydrophobicContact CZ-CB 4.5Å; F14-V35 HydrophobicContact CZ-CG1 3.55Å; F14-V35 HydrophobicContact CZ-CG2 4.13Å; F14-K50 HydrophobicContact CD1-CB 4.47Å; F14-K50 HydrophobicContact CD1-CD 4.49Å; F14-K50 HydrophobicContact CE1-CB 3.55Å; F14-K50 HydrophobicContact CE1-CD 4.13Å; F14-K50 HydrophobicContact CE1-CG 4.41Å; F14-K50 HydrophobicContact CE2-CD 4.23Å; F14-K50 HydrophobicContact CZ-CB 3.69Å; F14-K50 HydrophobicContact CZ-CD 3.99Å; F14-K50 HydrophobicContact CZ-CG 4.45Å; F14-Y97 HydrophobicContact CD1-CD1 4.1Å; F14-Y97 AromaticContact CD1-CE1 3.65Å; F14-Y97 HydrophobicContact CD1-CE1 3.65Å; F14-Y97 HydrophobicContact CE1-CD1 4.25Å; F14-Y97 HydrophobicContact CE1-CE1 4.05Å; F14-Y97 HydrophobicContact CG-CE1 4.38Å
15E83.7Confident85.8Confident134 Ų13474.1 Ų74.163%0.62642%0.417SS*.  trans-79.672.1177.1-65.8-175.8176.500110.8I6 I13I6-E15 HydrophobicContact CD1-CG 4.36Å; I6-E15 HydrophobicContact CG2-CG 3.95Å; I13-E15 HydrophobicContact CG2-CG 3.82Å
16L82.8Confident86.9Confident9 Ų970.9 Ų70.95%0.04740%0.397CS..  trans-109.5-10.7-173-61.2177.2000114.2F14 R19 F20 V23 L48 Y97F14-L16 VanDerWaalsContact C-N 3.26Å; F14-L16 HydrophobicContact CB-CD1 4.02Å; F14-L16 HydrophobicContact CB-CG 4.07Å; F14-L16 HydrophobicContact CD1-CD1 3.77Å; F14-L16 HydrophobicContact CD1-CG 4.26Å; F14-L16 HydrophobicContact CG-CD1 4.36Å; F14-L16 PolarHBondContact O-N 3.24Å; L16-R19 PolarHBondContact O-N 3.49Å; L16-F20 HydrophobicContact CB-CB 3.87Å; L16-F20 HydrophobicContact CB-CD2 3.85Å; L16-F20 HydrophobicContact CB-CG 4.24Å; L16-F20 HydrophobicContact CD1-CB 4.32Å; L16-F20 HydrophobicContact CD2-CD2 4.33Å; L16-F20 WeakPolarHBondContact O-CD2 3.32Å; L16-F20 PolarHBondContact O-N 3.26Å; L16-V23 HydrophobicContact CD1-CG2 4.2Å; L16-L48 HydrophobicContact CD1-CD1 4.32Å; L16-L48 HydrophobicContact CD1-CD2 3.71Å; L16-L48 HydrophobicContact CD1-CG 4.48Å; L16-L48 HydrophobicContact CD2-CD2 3.65Å; L16-L48 HydrophobicContact CG-CD2 4.29Å; L16-Y97 HydrophobicContact CD2-CD1 3.6Å; L16-Y97 HydrophobicContact CD2-CD2 4.38Å; L16-Y97 HydrophobicContact CD2-CE1 3.82Å; L16-Y97 HydrophobicContact CD2-CG 3.9Å; L16-Y97 HydrophobicContact CG-CE1 4.43Å
17G78.2Confident87.3Confident60 Ų6067.8 Ų67.862%0.61939%0.386SS*.THydrogen-bonded Turntrans-72150.6-179.400000112.7
18P87Confident87.5Confident124 Ų12472 Ų7281%0.80540%0.402SS*.THydrogen-bonded Turncis-92.365.837-36.5000114.2
19R93.9Very high86.8Confident33 Ų3369.7 Ų69.713%0.12540%0.396CS..THydrogen-bonded Turntrans-79-37.7-172.4175.8174171.9-169.5-10.1113.3L16 D39 C40 Q41 D83L16-R19 PolarHBondContact O-N 3.49Å; R19-D39 WeakPolarHBondContact CG-OD1 3.41Å; R19-D39 IonicContact CZ-OD1 3.04Å; R19-D39 IonicContact CZ-OD2 3.17Å; R19-D39 VanDerWaalsContact CZ-OD2 3.3Å; R19-D39 VanDerWaalsContact NE-CG 3.34Å; R19-D39 IonicContact NE-OD1 3.54Å; R19-D39 PolarHBondContact NE-OD1 2.96Å; R19-D39 IonicContact NE-OD2 2.9Å; R19-D39 PolarHBondContact NE-OD2 2.86Å; R19-D39 VanDerWaalsContact NE-OD2 3.09Å; R19-D39 IonicContact NH2-OD1 3.32Å; R19-D39 IonicContact NH2-OD2 2.64Å; R19-D39 PolarHBondContact NH2-OD2 2.98Å; R19-C40 WeakPolarHBondContact O-CB 3.13Å; R19-C40 PolarHBondContact O-N 3.09Å; R19-C40 PolarHBondContact O-SG 2.71Å; R19-Q41 HydrophobicContact CG-CB 4.5Å; R19-Q41 HydrophobicContact CG-CG 4.04Å; R19-D83 IonicContact CZ-OD2 3.09Å; R19-D83 IonicContact NH1-OD2 2.71Å; R19-D83 PolarHBondContact NH1-OD2 3.01Å; R19-D83 IonicContact NH2-OD2 3.3Å; R19-D83 PolarHBondContact NH2-OD2 3.43Å
20F94.6Very high86Confident7 Ų772.4 Ų72.43%0.03142%0.42CS..EExtended strand (participates in β ladder)trans-111.5121.5-175.5-54.2-87000111.5L16 A37 F38 D39 V46 L48 I85 V99L16-F20 HydrophobicContact CB-CB 3.87Å; L16-F20 HydrophobicContact CB-CD2 3.85Å; L16-F20 HydrophobicContact CB-CG 4.24Å; L16-F20 HydrophobicContact CD1-CB 4.32Å; L16-F20 HydrophobicContact CD2-CD2 4.33Å; L16-F20 WeakPolarHBondContact O-CD2 3.32Å; L16-F20 PolarHBondContact O-N 3.26Å; F20-A37 HydrophobicContact CB-CB 3.82Å; F20-A37 HydrophobicContact CD1-CB 4.35Å; F20-F38 VanDerWaalsContact CA-O 3.32Å; F20-F38 WeakPolarHBondContact CA-O 3.49Å; F20-D39 HydrophobicContact CD1-CB 3.93Å; F20-D39 HydrophobicContact CE1-CB 3.72Å; F20-D39 WeakPolarHBondContact CE1-OD2 3.38Å; F20-V46 HydrophobicContact CD1-CG2 3.9Å; F20-V46 HydrophobicContact CE1-CG2 3.82Å; F20-L48 HydrophobicContact CD1-CD1 4.07Å; F20-L48 HydrophobicContact CD1-CD2 4Å; F20-L48 HydrophobicContact CD2-CD2 4.14Å; F20-L48 HydrophobicContact CE1-CD2 4.01Å; F20-L48 HydrophobicContact CE2-CD2 4.17Å; F20-L48 HydrophobicContact CG-CD1 4.5Å; F20-L48 HydrophobicContact CG-CD2 4.06Å; F20-L48 HydrophobicContact CZ-CD2 4.09Å; F20-I85 HydrophobicContact CD2-CD1 4.34Å; F20-I85 HydrophobicContact CE2-CD1 3.2Å; F20-I85 HydrophobicContact CZ-CD1 3.53Å; F20-V99 HydrophobicContact CE1-CG1 4.06Å; F20-V99 HydrophobicContact CE1-CG2 4.35Å; F20-V99 HydrophobicContact CZ-CG1 4.34Å; F20-V99 HydrophobicContact CZ-CG2 3.9Å
21D92.1Very high85.5Confident77 Ų7766.5 Ų66.541%0.41239%0.394SS..EExtended strand (participates in β ladder)trans-113.2168.1178.6-71-35.2000111.3V23 A37 F38 C40D21-V23 PolarHBondContact O-N 3.35Å; D21-A37 WeakPolarHBondContact O-CA 3.43Å; D21-A37 WeakPolarHBondContact O-CB 3.36Å; D21-F38 PolarHBondContact N-O 3.28Å; D21-F38 PolarHBondContact O-N 3.42Å; D21-C40 PolarHBondContact OD2-SG 2.93Å
22N91.6Very high85.6Confident130 Ų13063.6 Ų63.670%0.69537%0.365SS*.EExtended strand (participates in β ladder)trans55.345.8176-61.3-33.8000114.4Q24N22-Q24 PolarHBondContact O-N 2.79Å
23V93.2Very high85.9Confident29 Ų2960.7 Ų60.718%0.17635%0.351CS..EExtended strand (participates in β ladder)trans-63.2124.5-179.8-1760000111.2P7 V9 L16 D21 V35 S36 A37P7-V23 HydrophobicContact CB-CB 4.09Å; P7-V23 HydrophobicContact CB-CG1 4.47Å; P7-V23 HydrophobicContact CB-CG2 4.26Å; P7-V23 HydrophobicContact CG-CB 4.19Å; P7-V23 HydrophobicContact CG-CG2 3.79Å; V9-V23 HydrophobicContact CG2-CG1 4Å; L16-V23 HydrophobicContact CD1-CG2 4.2Å; D21-V23 PolarHBondContact O-N 3.35Å; V23-V35 HydrophobicContact CG1-CB 3.8Å; V23-V35 HydrophobicContact CG1-CG1 4.06Å; V23-V35 HydrophobicContact CG1-CG2 3.79Å; V23-S36 CarbonylContact C-O 3.56Å; V23-S36 WeakPolarHBondContact CA-O 3.46Å; V23-A37 HydrophobicContact CG2-CB 4.11Å
24Q93.4Very high86.3Confident113 Ų11358.1 Ų58.153%0.52834%0.339SS..EExtended strand (participates in β ladder)trans-132.2139.9179.2-67178.2-9.200111.1N22 V35 S36N22-Q24 PolarHBondContact O-N 2.79Å; Q24-V35 CarbonylContact O-C 3.47Å; Q24-V35 WeakPolarHBondContact O-CA 3.25Å; Q24-V35 VanDerWaalsContact O-CB 3.28Å; Q24-V35 WeakPolarHBondContact O-CB 3.06Å; Q24-S36 PolarHBondContact N-O 3.31Å; Q24-S36 PolarHBondContact O-N 2.96Å
25Y93.2Very high86.7Confident101 Ų10158.1 Ų58.140%0.39634%0.339SS..EExtended strand (participates in β ladder)trans-64.5134.6175.1177.2-101.1000111.6V9 K10 G27 E28 I33V9-Y25 HydrophobicContact CG1-CD2 3.81Å; V9-Y25 HydrophobicContact CG1-CG 4.21Å; K10-Y25 HydrophobicContact CG-CD2 3.95Å; K10-Y25 HydrophobicContact CG-CE2 3.97Å; Y25-G27 WeakPolarHBondContact CE2-O 3.45Å; Y25-E28 PolarHBondContact OH-N 3.17Å; Y25-I33 HydrophobicContact CD2-CG2 4.15Å; Y25-I33 HydrophobicContact CE2-CG2 4.22Å
26V91.1Very high87.3Confident68 Ų6851.9 Ų51.941%0.41231%0.311SS..EExtended strand (participates in β ladder)trans-112.4-51.8173.9175.20000110.4V34 F102V26-V34 HydrophobicContact CB-CB 4.45Å; V26-V34 HydrophobicContact CB-CG1 4.16Å; V26-V34 HydrophobicContact CG1-CG1 4.37Å; V26-V34 PolarHBondContact N-O 3.2Å; V26-F102 HydrophobicContact CG2-CE2 4.07Å
27G86.8Confident87.9Confident21 Ų2151.5 Ų51.522%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-171.4179.5-173.900000113.2Y25 V34Y25-G27 WeakPolarHBondContact CE2-O 3.45Å; G27-V34 PolarHBondContact N-O 3.38Å; G27-V34 PolarHBondContact O-N 2.87Å
28E83.5Confident88.8Confident131 Ų13152 Ų5261%0.61229%0.294SS*.EExtended strand (participates in β ladder)trans-135.2130.5177.4-173.2173.3179.600108.8Y25 I33Y25-E28 PolarHBondContact OH-N 3.17Å; E28-I33 HydrophobicContact CG-CG1 4.38Å
29G70.6Confident89.3Confident41 Ų4146.1 Ų46.142%0.42326%0.255SS..EExtended strand (participates in β ladder)trans-101.8-176.6172.900000111.2Y31 G32G29-Y31 PolarHBondContact O-N 2.88Å; G29-Y31 VanDerWaalsContact O-N 3.07Å; G29-G32 PolarHBondContact N-O 2.97Å
30A67Low89.3Confident74 Ų7447.3 Ų47.361%0.61227%0.268SS*.THydrogen-bonded Turntrans-61.6-20.9-175.200000115.3
31Y74.2Confident89.3Confident27 Ų2753.9 Ų53.911%0.10630%0.299CS..THydrogen-bonded Turntrans-145.221.4-176.359.6-87.7000113.3G29 V51 Y59 R62 T63 E66G29-Y31 PolarHBondContact O-N 2.88Å; G29-Y31 VanDerWaalsContact O-N 3.07Å; Y31-V51 HydrophobicContact CD2-CB 3.93Å; Y31-V51 HydrophobicContact CD2-CG1 3.66Å; Y31-V51 HydrophobicContact CE2-CB 4.04Å; Y31-V51 HydrophobicContact CE2-CG1 3.51Å; Y31-Y59 HydrophobicContact CG-CG 4.43Å; Y31-R62 HydrophobicContact CE1-CB 4.2Å; Y31-T63 VanDerWaalsContact CE2-OG1 3.3Å; Y31-T63 WeakPolarHBondContact CE2-OG1 3.22Å; Y31-E66 PolarHBondContact OH-OE2 3.04Å
32G83.2Confident89.3Confident8 Ų854.9 Ų54.98%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-172.2161.6-175.700000115.2G29 K50G29-G32 PolarHBondContact N-O 2.97Å; G32-K50 CarbonylContact C-O 3.54Å; G32-K50 WeakPolarHBondContact CA-O 3.25Å
33I91.6Very high89.4Confident3 Ų354.8 Ų54.82%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-105.9136.1177.1-62.5-176.8000108.7K10 Q12 F14 Y25 E28 V35 K50K10-I33 HydrophobicContact CB-CD1 4.02Å; Q12-I33 HydrophobicContact CB-CD1 4.05Å; Q12-I33 HydrophobicContact CG-CD1 3.65Å; F14-I33 HydrophobicContact CE2-CG2 4.21Å; F14-I33 HydrophobicContact CZ-CB 4.04Å; F14-I33 HydrophobicContact CZ-CG2 3.87Å; Y25-I33 HydrophobicContact CD2-CG2 4.15Å; Y25-I33 HydrophobicContact CE2-CG2 4.22Å; E28-I33 HydrophobicContact CG-CG1 4.38Å; I33-V35 HydrophobicContact CG2-CG1 4.1Å; I33-K50 PolarHBondContact N-O 2.93Å; I33-K50 VanDerWaalsContact N-O 3.1Å; I33-K50 PolarHBondContact O-N 3.44Å
34V93.9Very high89.5Confident31 Ų3156.6 Ų56.619%0.18830%0.303CS..EExtended strand (participates in β ladder)trans-104.4126.8172.6-173.70000109.1V26 G27 A47 L48 K49V26-V34 HydrophobicContact CB-CB 4.45Å; V26-V34 HydrophobicContact CB-CG1 4.16Å; V26-V34 HydrophobicContact CG1-CG1 4.37Å; V26-V34 PolarHBondContact N-O 3.2Å; G27-V34 PolarHBondContact N-O 3.38Å; G27-V34 PolarHBondContact O-N 2.87Å; V34-A47 HydrophobicContact CG1-CB 4.31Å; V34-L48 WeakPolarHBondContact CA-O 3.38Å; V34-K49 HydrophobicContact CG2-CB 4.22Å; V34-K49 HydrophobicContact CG2-CG 4.06Å
35V95.3Very high89.7Confident0 Ų055.5 Ų55.50%030%0.297CS..EExtended strand (participates in β ladder)trans-120.8153.7172.1-600000109.5V9 F14 V23 Q24 I33 A47 L48V9-V35 HydrophobicContact CB-CG1 4.22Å; V9-V35 HydrophobicContact CG1-CG1 4.04Å; V9-V35 HydrophobicContact CG2-CG1 4.12Å; F14-V35 HydrophobicContact CD1-CG1 4.43Å; F14-V35 HydrophobicContact CD1-CG2 3.8Å; F14-V35 HydrophobicContact CE1-CB 4.31Å; F14-V35 HydrophobicContact CE1-CG1 3.81Å; F14-V35 HydrophobicContact CE1-CG2 3.48Å; F14-V35 VanDerWaalsContact CE1-CG2 3.48Å; F14-V35 HydrophobicContact CE2-CG1 3.96Å; F14-V35 HydrophobicContact CZ-CB 4.5Å; F14-V35 HydrophobicContact CZ-CG1 3.55Å; F14-V35 HydrophobicContact CZ-CG2 4.13Å; V23-V35 HydrophobicContact CG1-CB 3.8Å; V23-V35 HydrophobicContact CG1-CG1 4.06Å; V23-V35 HydrophobicContact CG1-CG2 3.79Å; Q24-V35 CarbonylContact O-C 3.47Å; Q24-V35 WeakPolarHBondContact O-CA 3.25Å; Q24-V35 VanDerWaalsContact O-CB 3.28Å; Q24-V35 WeakPolarHBondContact O-CB 3.06Å; I33-V35 HydrophobicContact CG2-CG1 4.1Å; V35-A47 CarbonylContact O-C 3.57Å; V35-A47 WeakPolarHBondContact O-CA 3.24Å; V35-L48 HydrophobicContact CG2-CB 3.88Å; V35-L48 HydrophobicContact CG2-CD1 4.26Å; V35-L48 PolarHBondContact N-O 3.45Å; V35-L48 PolarHBondContact O-N 3.44Å
36S95.8Very high89.9Confident3 Ų350.7 Ų50.72%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-96.8145.4163.371.40000109.5V23 Q24 K45 V46 F102V23-S36 CarbonylContact C-O 3.56Å; V23-S36 WeakPolarHBondContact CA-O 3.46Å; Q24-S36 PolarHBondContact N-O 3.31Å; Q24-S36 PolarHBondContact O-N 2.96Å; S36-K45 VanDerWaalsContact CB-CE 3.45Å; S36-K45 VanDerWaalsContact OG-CE 3.25Å; S36-K45 WeakPolarHBondContact OG-CE 3.36Å; S36-V46 CarbonylContact C-O 3.55Å; S36-V46 VanDerWaalsContact CA-O 3.25Å; S36-V46 WeakPolarHBondContact CA-O 3.36Å; S36-F102 VanDerWaalsContact CB-CE2 3.45Å
37A96.4Very high90.1Very high1 Ų147.9 Ų47.91%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-145.6164.3170.900000110F20 D21 V23 K45 V46 L48F20-A37 HydrophobicContact CB-CB 3.82Å; F20-A37 HydrophobicContact CD1-CB 4.35Å; D21-A37 WeakPolarHBondContact O-CA 3.43Å; D21-A37 WeakPolarHBondContact O-CB 3.36Å; V23-A37 HydrophobicContact CG2-CB 4.11Å; A37-K45 WeakPolarHBondContact O-CA 3.39Å; A37-V46 PolarHBondContact N-O 3.42Å; A37-V46 PolarHBondContact O-N 3.47Å; A37-L48 HydrophobicContact CB-CD1 3.49Å; A37-L48 VanDerWaalsContact CB-CD1 3.49Å
38F96.3Very high90.5Very high70 Ų7046.9 Ų46.931%0.30725%0.252SS..EExtended strand (participates in β ladder)trans-89.1119.5169.5-171.2-100.7000109F20 D21 C40 N43F20-F38 VanDerWaalsContact CA-O 3.32Å; F20-F38 WeakPolarHBondContact CA-O 3.49Å; D21-F38 PolarHBondContact N-O 3.28Å; D21-F38 PolarHBondContact O-N 3.42Å; F38-C40 PolarHBondContact O-N 3.31Å; F38-N43 WeakPolarHBondContact CZ-OD1 3.44Å
39D96.9Very high91.1Very high0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-85104.2175.8-174.9-20.5000109.4R19 F20 Q41 R42 N43 E44 V46R19-D39 WeakPolarHBondContact CG-OD1 3.41Å; R19-D39 IonicContact CZ-OD1 3.04Å; R19-D39 IonicContact CZ-OD2 3.17Å; R19-D39 VanDerWaalsContact CZ-OD2 3.3Å; R19-D39 VanDerWaalsContact NE-CG 3.34Å; R19-D39 IonicContact NE-OD1 3.54Å; R19-D39 PolarHBondContact NE-OD1 2.96Å; R19-D39 IonicContact NE-OD2 2.9Å; R19-D39 PolarHBondContact NE-OD2 2.86Å; R19-D39 VanDerWaalsContact NE-OD2 3.09Å; R19-D39 IonicContact NH2-OD1 3.32Å; R19-D39 IonicContact NH2-OD2 2.64Å; R19-D39 PolarHBondContact NH2-OD2 2.98Å; F20-D39 HydrophobicContact CD1-CB 3.93Å; F20-D39 HydrophobicContact CE1-CB 3.72Å; F20-D39 WeakPolarHBondContact CE1-OD2 3.38Å; D39-Q41 PolarHBondContact O-N 2.85Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.47Å; D39-Q41 PolarHBondContact OD1-N 3.27Å; D39-R42 HydrophobicContact CB-CB 4.09Å; D39-R42 HydrophobicContact CB-CG 4.46Å; D39-R42 PolarHBondContact O-N 3.35Å; D39-R42 VanDerWaalsContact O-N 3.17Å; D39-R42 PolarHBondContact OD1-N 3.14Å; D39-R42 WeakPolarHBondContact OD2-CD 3.45Å; D39-R42 VanDerWaalsContact OD2-CG 3.3Å; D39-R42 WeakPolarHBondContact OD2-CG 3.49Å; D39-N43 WeakPolarHBondContact O-CA 3.3Å; D39-N43 PolarHBondContact O-N 3.39Å; D39-E44 PolarHBondContact N-O 2.93Å; D39-V46 HydrophobicContact CB-CG1 3.95Å; D39-V46 HydrophobicContact CB-CG2 3.98Å
40C94.9Very high92.2Very high58 Ų5840.2 Ų40.239%0.39221%0.209SC..THydrogen-bonded Turntrans-65-20.5-177-62.90000113.3R19 D21 F38R19-C40 WeakPolarHBondContact O-CB 3.13Å; R19-C40 PolarHBondContact O-N 3.09Å; R19-C40 PolarHBondContact O-SG 2.71Å; D21-C40 PolarHBondContact OD2-SG 2.93Å; F38-C40 PolarHBondContact O-N 3.31Å
41Q93.5Very high93.5Very high146 Ų14636.7 Ų36.768%0.68218%0.18SC*.THydrogen-bonded Turntrans-82-37.3175.1-69.3-178.8-5.900111.9R19 D39R19-Q41 HydrophobicContact CG-CB 4.5Å; R19-Q41 HydrophobicContact CG-CG 4.04Å; D39-Q41 PolarHBondContact O-N 2.85Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.47Å; D39-Q41 PolarHBondContact OD1-N 3.27Å
42R92.5Very high94.4Very high97 Ų9737.9 Ų37.937%0.36619%0.192SC..THydrogen-bonded Turntrans-89.4-14-179.6-62.1-179.561.167.37.7113.1D39 E44 H82D39-R42 HydrophobicContact CB-CB 4.09Å; D39-R42 HydrophobicContact CB-CG 4.46Å; D39-R42 PolarHBondContact O-N 3.35Å; D39-R42 VanDerWaalsContact O-N 3.17Å; D39-R42 PolarHBondContact OD1-N 3.14Å; D39-R42 WeakPolarHBondContact OD2-CD 3.45Å; D39-R42 VanDerWaalsContact OD2-CG 3.3Å; D39-R42 WeakPolarHBondContact OD2-CG 3.49Å; R42-E44 VanDerWaalsContact C-N 3.26Å; R42-E44 HydrophobicContact CB-CG 3.88Å; R42-E44 IonicContact CZ-OE1 2.97Å; R42-E44 IonicContact NE-OE1 2.86Å; R42-E44 PolarHBondContact NE-OE1 3.24Å; R42-E44 IonicContact NH2-OE1 3.84Å; R42-E44 PolarHBondContact NH2-OE1 2.7Å; R42-E44 PolarHBondContact O-N 3.29Å; R42-H82 PolarHBondContact NH2-CE1 2.67Å; R42-H82 PolarHBondContact NH2-ND1 2.71Å
43N94.8Very high94.9Very high128 Ų12837.5 Ų37.568%0.68419%0.188SC*.THydrogen-bonded Turntrans56.140-175.4-166.952.8000112.5F38 D39F38-N43 WeakPolarHBondContact CZ-OD1 3.44Å; D39-N43 WeakPolarHBondContact O-CA 3.3Å; D39-N43 PolarHBondContact O-N 3.39Å
44E95.3Very high95Very high67 Ų6738.5 Ų38.531%0.31319%0.193SC..EExtended strand (participates in β ladder)trans-145.9161.6-179.773.6-176.116400111.8D39 R42 V46 H82D39-E44 PolarHBondContact N-O 2.93Å; R42-E44 VanDerWaalsContact C-N 3.26Å; R42-E44 HydrophobicContact CB-CG 3.88Å; R42-E44 IonicContact CZ-OE1 2.97Å; R42-E44 IonicContact NE-OE1 2.86Å; R42-E44 PolarHBondContact NE-OE1 3.24Å; R42-E44 IonicContact NH2-OE1 3.84Å; R42-E44 PolarHBondContact NH2-OE1 2.7Å; R42-E44 PolarHBondContact O-N 3.29Å; E44-V46 HydrophobicContact CG-CG1 3.93Å; E44-H82 IonicContact OE1-CD2 2.72Å; E44-H82 IonicContact OE1-NE2 2.64Å
45K96.3Very high94.9Very high90 Ų9043.8 Ų43.839%0.39122%0.215SC..EExtended strand (participates in β ladder)trans-79.9131.8171.7-169.1173.2-179.3178.30109.4S36 A37 F102S36-K45 VanDerWaalsContact CB-CE 3.45Å; S36-K45 VanDerWaalsContact OG-CE 3.25Å; S36-K45 WeakPolarHBondContact OG-CE 3.36Å; A37-K45 WeakPolarHBondContact O-CA 3.39Å; K45-F102 HydrophobicContact CD-CD1 3.71Å; K45-F102 HydrophobicContact CD-CE1 3.78Å; K45-F102 HydrophobicContact CD-CG 4.16Å; K45-F102 HydrophobicContact CD-CZ 4.31Å; K45-F102 HydrophobicContact CG-CB 4.27Å; K45-F102 HydrophobicContact CG-CD1 3.97Å; K45-F102 HydrophobicContact CG-CD2 4.5Å; K45-F102 HydrophobicContact CG-CE1 4.49Å; K45-F102 HydrophobicContact CG-CG 3.97Å; K45-F102 VanDerWaalsContact O-CB 3.32Å; K45-F102 WeakPolarHBondContact O-CB 3.46Å
46V97.3Very high94.7Very high0 Ų048.8 Ų48.80%024%0.238CC..EExtended strand (participates in β ladder)trans-126.4159.1-178.8-62.20000111F20 S36 A37 D39 E44 L48 V99 E100F20-V46 HydrophobicContact CD1-CG2 3.9Å; F20-V46 HydrophobicContact CE1-CG2 3.82Å; S36-V46 CarbonylContact C-O 3.55Å; S36-V46 VanDerWaalsContact CA-O 3.25Å; S36-V46 WeakPolarHBondContact CA-O 3.36Å; A37-V46 PolarHBondContact N-O 3.42Å; A37-V46 PolarHBondContact O-N 3.47Å; D39-V46 HydrophobicContact CB-CG1 3.95Å; D39-V46 HydrophobicContact CB-CG2 3.98Å; E44-V46 HydrophobicContact CG-CG1 3.93Å; V46-L48 HydrophobicContact CG2-CD1 3.84Å; V46-L48 HydrophobicContact CG2-CG 4.43Å; V46-V99 HydrophobicContact CB-CG1 3.89Å; V46-V99 HydrophobicContact CG1-CG1 4.16Å; V46-V99 HydrophobicContact CG2-CG1 3.87Å; V46-E100 WeakPolarHBondContact CB-O 3.44Å
47A96.6Very high94.6Very high10 Ų1052.6 Ų52.68%0.08326%0.256CS..EExtended strand (participates in β ladder)trans-95.4139.7165.400000109.4V34 V35 V99 E100 F102V34-A47 HydrophobicContact CG1-CB 4.31Å; V35-A47 CarbonylContact O-C 3.57Å; V35-A47 WeakPolarHBondContact O-CA 3.24Å; A47-V99 CarbonylContact O-C 3.59Å; A47-V99 WeakPolarHBondContact O-CA 3.22Å; A47-E100 HydrophobicContact CB-CB 4.4Å; A47-E100 PolarHBondContact N-O 3.28Å; A47-E100 PolarHBondContact O-N 3.09Å; A47-F102 HydrophobicContact CB-CD2 4.36Å
48L95.6Very high94.2Very high0 Ų056 Ų560%028%0.277CS..EExtended strand (participates in β ladder)trans-121.6113.9172.7-6199.9000109.4L16 F20 V34 V35 A37 V46 I98 V99L16-L48 HydrophobicContact CD1-CD1 4.32Å; L16-L48 HydrophobicContact CD1-CD2 3.71Å; L16-L48 HydrophobicContact CD1-CG 4.48Å; L16-L48 HydrophobicContact CD2-CD2 3.65Å; L16-L48 HydrophobicContact CG-CD2 4.29Å; F20-L48 HydrophobicContact CD1-CD1 4.07Å; F20-L48 HydrophobicContact CD1-CD2 4Å; F20-L48 HydrophobicContact CD2-CD2 4.14Å; F20-L48 HydrophobicContact CE1-CD2 4.01Å; F20-L48 HydrophobicContact CE2-CD2 4.17Å; F20-L48 HydrophobicContact CG-CD1 4.5Å; F20-L48 HydrophobicContact CG-CD2 4.06Å; F20-L48 HydrophobicContact CZ-CD2 4.09Å; V34-L48 WeakPolarHBondContact CA-O 3.38Å; V35-L48 HydrophobicContact CG2-CB 3.88Å; V35-L48 HydrophobicContact CG2-CD1 4.26Å; V35-L48 PolarHBondContact N-O 3.45Å; V35-L48 PolarHBondContact O-N 3.44Å; A37-L48 HydrophobicContact CB-CD1 3.49Å; A37-L48 VanDerWaalsContact CB-CD1 3.49Å; V46-L48 HydrophobicContact CG2-CD1 3.84Å; V46-L48 HydrophobicContact CG2-CG 4.43Å; L48-I98 WeakPolarHBondContact CA-O 3.48Å; L48-V99 HydrophobicContact CD2-CG2 3.96Å; L48-V99 HydrophobicContact CG-CG2 4.34Å
49K94.3Very high94Very high21 Ų2156.4 Ų56.49%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-92.2104.6172.8-173.6-178.1-175.3-178.50108.9V34 V51 E66 Y97 I98V34-K49 HydrophobicContact CG2-CB 4.22Å; V34-K49 HydrophobicContact CG2-CG 4.06Å; K49-V51 HydrophobicContact CD-CG1 4.36Å; K49-V51 HydrophobicContact CG-CG1 3.99Å; K49-E66 IonicContact NZ-OE1 3.89Å; K49-E66 PolarHBondContact NZ-OE1 3.49Å; K49-E66 IonicContact NZ-OE2 3.43Å; K49-E66 PolarHBondContact NZ-OE2 2.89Å; K49-Y97 WeakPolarHBondContact O-CA 3.33Å; K49-I98 HydrophobicContact CB-CB 4.37Å; K49-I98 PolarHBondContact N-O 2.99Å; K49-I98 PolarHBondContact O-N 2.91Å
50K94.9Very high93.9Very high11 Ų1156.4 Ų56.45%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-81.7124.5172.4179.2178.3179.5162.90109.7I13 F14 G32 I33 D95 I96 Y97I13-K50 PolarHBondContact O-NZ 2.83Å; F14-K50 HydrophobicContact CD1-CB 4.47Å; F14-K50 HydrophobicContact CD1-CD 4.49Å; F14-K50 HydrophobicContact CE1-CB 3.55Å; F14-K50 HydrophobicContact CE1-CD 4.13Å; F14-K50 HydrophobicContact CE1-CG 4.41Å; F14-K50 HydrophobicContact CE2-CD 4.23Å; F14-K50 HydrophobicContact CZ-CB 3.69Å; F14-K50 HydrophobicContact CZ-CD 3.99Å; F14-K50 HydrophobicContact CZ-CG 4.45Å; G32-K50 CarbonylContact C-O 3.54Å; G32-K50 WeakPolarHBondContact CA-O 3.25Å; I33-K50 PolarHBondContact N-O 2.93Å; I33-K50 VanDerWaalsContact N-O 3.1Å; I33-K50 PolarHBondContact O-N 3.44Å; K50-D95 WeakPolarHBondContact CE-OD2 3.14Å; K50-D95 IonicContact NZ-OD2 2.68Å; K50-D95 PolarHBondContact NZ-OD2 2.77Å; K50-I96 CarbonylContact C-O 3.58Å; K50-I96 WeakPolarHBondContact CA-O 3.16Å; K50-Y97 HydrophobicContact CB-CD1 3.81Å; K50-Y97 HydrophobicContact CB-CE1 3.87Å; K50-Y97 HydrophobicContact CD-CD1 4.46Å; K50-Y97 HydrophobicContact CD-CE1 3.65Å; K50-Y97 HydrophobicContact CG-CD1 4.04Å; K50-Y97 HydrophobicContact CG-CE1 3.7Å; K50-Y97 PolarHBondContact NZ-OH 3.31Å
51V93.5Very high93.8Very high0 Ų054.8 Ų54.80%026%0.263CS..EExtended strand (participates in β ladder)trans-129.7139.2177.2-600000110.9Y31 K49 P53 T63 D95 I96Y31-V51 HydrophobicContact CD2-CB 3.93Å; Y31-V51 HydrophobicContact CD2-CG1 3.66Å; Y31-V51 HydrophobicContact CE2-CB 4.04Å; Y31-V51 HydrophobicContact CE2-CG1 3.51Å; K49-V51 HydrophobicContact CD-CG1 4.36Å; K49-V51 HydrophobicContact CG-CG1 3.99Å; V51-P53 WeakPolarHBondContact O-CD 3.28Å; V51-T63 HydrophobicContact CG2-CG2 3.89Å; V51-D95 WeakPolarHBondContact O-CA 3.29Å; V51-I96 HydrophobicContact CG2-CB 3.76Å; V51-I96 HydrophobicContact CG2-CD1 4.48Å; V51-I96 HydrophobicContact CG2-CG2 4.4Å; V51-I96 PolarHBondContact N-O 2.9Å; V51-I96 PolarHBondContact O-N 2.9Å
52S93.5Very high93.7Very high52 Ų5250.3 Ų50.336%0.36424%0.24SC..  trans-124.169.6179.3-47.80000109.9D95S52-D95 WeakPolarHBondContact CB-OD1 3.46Å; S52-D95 PolarHBondContact OG-OD1 2.99Å
53P93.3Very high93.8Very high0 Ų045.7 Ų45.70%022%0.223CC..G310 helixtrans-88.1-10.2-158.236-39000115V51 E55 H56 S60 T63 I96V51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-E55 VanDerWaalsContact C-N 3.3Å; P53-E55 PolarHBondContact O-N 2.79Å; P53-H56 PolarHBondContact O-N 2.96Å; P53-S60 PolarHBondContact O-N 3.42Å; P53-S60 PolarHBondContact O-OG 2.91Å; P53-T63 WeakPolarHBondContact CB-OG1 3.12Å; P53-T63 HydrophobicContact CG-CG2 4.17Å; P53-I96 HydrophobicContact CG-CD1 4.33Å
54F94.1Very high93.8Very high24 Ų2440.5 Ų40.511%0.10519%0.194CC..G310 helixtrans-76.7-10.2-161.9-53.4-59.8000115.4H56 M93 K94 I96 K337 I340F54-H56 VanDerWaalsContact C-N 3.35Å; F54-M93 HydrophobicContact CE1-CE 3.99Å; F54-M93 HydrophobicContact CE2-CE 4.29Å; F54-M93 HydrophobicContact CE2-CG 3.61Å; F54-M93 HydrophobicContact CE2-SD 4.31Å; F54-M93 HydrophobicContact CZ-CE 3.52Å; F54-M93 HydrophobicContact CZ-CG 3.7Å; F54-M93 HydrophobicContact CZ-SD 3.77Å; F54-K94 VanDerWaalsContact CD2-O 3.31Å; F54-K94 WeakPolarHBondContact CD2-O 3.19Å; F54-K94 WeakPolarHBondContact CE2-O 3.39Å; F54-I96 HydrophobicContact CE1-CD1 4.43Å; F54-I96 HydrophobicContact CE2-CD1 4.37Å; F54-I96 HydrophobicContact CZ-CD1 3.67Å; F54-I96 HydrophobicContact CZ-CG1 4.21Å; F54-K337 HydrophobicContact CD1-CB 3.8Å; F54-K337 HydrophobicContact CD1-CD 4.09Å; F54-K337 HydrophobicContact CD1-CG 3.62Å; F54-K337 HydrophobicContact CE1-CB 4Å; F54-K337 HydrophobicContact CE1-CD 4.43Å; F54-K337 HydrophobicContact CE1-CG 3.62Å; F54-K337 HydrophobicContact CG-CD 4.19Å; F54-K337 HydrophobicContact CG-CG 4.22Å; F54-K337 HydrophobicContact CZ-CG 4.21Å; F54-I340 HydrophobicContact CE1-CD1 3.86Å
55E92.4Very high93.6Very high142 Ų14237.9 Ų37.966%0.66418%0.181SC*.G310 helixtrans-76.9-24.5174.2-65.1-54.6144.200112.5P53P53-E55 VanDerWaalsContact C-N 3.3Å; P53-E55 PolarHBondContact O-N 2.79Å
56H91.3Very high93.5Very high105 Ų10533.6 Ų33.649%0.48616%0.162SC..  trans-127.3126.1-173.5-58.1-72.5000111.9P53 F54 T58 Y59 S60P53-H56 PolarHBondContact O-N 2.96Å; F54-H56 VanDerWaalsContact C-N 3.35Å; H56-T58 VanDerWaalsContact C-N 3.31Å; H56-T58 PolarHBondContact O-N 2.97Å; H56-Y59 HydrophobicContact CB-CD2 3.71Å; H56-Y59 HydrophobicContact CB-CE2 4.24Å; H56-Y59 HydrophobicContact CB-CG 3.94Å; H56-Y59 AromaticContact CD2-CD2 3.48Å; H56-Y59 VanDerWaalsContact CD2-CD2 3.48Å; H56-Y59 WeakPolarHBondContact CD2-CD2 3.05Å; H56-Y59 AromaticContact CD2-CE2 3.49Å; H56-Y59 VanDerWaalsContact CD2-CE2 3.49Å; H56-Y59 WeakPolarHBondContact CD2-CE2 3.32Å; H56-Y59 AromaticContact CG-CD2 3.87Å; H56-Y59 AromaticContact CG-CE2 4Å; H56-Y59 PolarHBondContact O-N 3.26Å; H56-Y59 VanDerWaalsContact O-N 3.15Å; H56-S60 PolarHBondContact O-N 3.48Å; H56-S60 PolarHBondContact O-OG 2.97Å
57Q92.1Very high93.4Very high83 Ų8333.6 Ų33.639%0.38816%0.162SC..Hα-helixtrans-56.2-44.1178.2-177.8179.4-26.800111.9Y59 S60 Q61 N330 F331 K333 L336Q57-Y59 VanDerWaalsContact C-N 3.34Å; Q57-Y59 PolarHBondContact O-N 3.16Å; Q57-S60 PolarHBondContact O-N 2.76Å; Q57-Q61 WeakPolarHBondContact O-CB 3.44Å; Q57-Q61 PolarHBondContact O-N 2.88Å; Q57-N330 PolarHBondContact NE2-OD1 3.26Å; Q57-F331 WeakPolarHBondContact CG-O 3.39Å; Q57-F331 PolarHBondContact NE2-O 3.24Å; Q57-K333 HydrophobicContact CB-CB 4.28Å; Q57-L336 HydrophobicContact CG-CD1 4.1Å
58T89.5Confident93.3Very high73 Ų7334.3 Ų34.345%0.44816%0.163SC..Hα-helixtrans-61.5-40.4179.3-51.80000112.3H56 Q61 R62H56-T58 VanDerWaalsContact C-N 3.31Å; H56-T58 PolarHBondContact O-N 2.97Å; T58-Q61 PolarHBondContact O-N 2.76Å; T58-R62 VanDerWaalsContact O-CG 3.27Å; T58-R62 WeakPolarHBondContact O-CG 3.45Å; T58-R62 PolarHBondContact O-N 3.09Å
59Y91.9Very high93.3Very high77 Ų7734.4 Ų34.430%0.30216%0.163SC..Hα-helixtrans-71.7-43.4178.8-60.9-15.6000111Y31 H56 Q57 Q61 R62 T63Y31-Y59 HydrophobicContact CG-CG 4.43Å; H56-Y59 HydrophobicContact CB-CD2 3.71Å; H56-Y59 HydrophobicContact CB-CE2 4.24Å; H56-Y59 HydrophobicContact CB-CG 3.94Å; H56-Y59 AromaticContact CD2-CD2 3.48Å; H56-Y59 VanDerWaalsContact CD2-CD2 3.48Å; H56-Y59 WeakPolarHBondContact CD2-CD2 3.05Å; H56-Y59 AromaticContact CD2-CE2 3.49Å; H56-Y59 VanDerWaalsContact CD2-CE2 3.49Å; H56-Y59 WeakPolarHBondContact CD2-CE2 3.32Å; H56-Y59 AromaticContact CG-CD2 3.87Å; H56-Y59 AromaticContact CG-CE2 4Å; H56-Y59 PolarHBondContact O-N 3.26Å; H56-Y59 VanDerWaalsContact O-N 3.15Å; Q57-Y59 VanDerWaalsContact C-N 3.34Å; Q57-Y59 PolarHBondContact O-N 3.16Å; Y59-Q61 VanDerWaalsContact C-N 3.26Å; Y59-Q61 PolarHBondContact O-N 3.16Å; Y59-R62 PolarHBondContact O-N 2.75Å; Y59-T63 PolarHBondContact O-N 2.82Å; Y59-T63 PolarHBondContact O-OG1 2.94Å; Y59-T63 VanDerWaalsContact O-OG1 3.14Å
60S94.3Very high93.3Very high0 Ų033.6 Ų33.60%016%0.16CC..Hα-helixtrans-55.8-42.1172.6-66.20000112P53 H56 Q57 T63 Y64P53-S60 PolarHBondContact O-N 3.42Å; P53-S60 PolarHBondContact O-OG 2.91Å; H56-S60 PolarHBondContact O-N 3.48Å; H56-S60 PolarHBondContact O-OG 2.97Å; Q57-S60 PolarHBondContact O-N 2.76Å; S60-T63 PolarHBondContact O-N 3.4Å; S60-Y64 WeakPolarHBondContact O-CB 3.41Å; S60-Y64 PolarHBondContact O-N 3.4Å
61Q92.3Very high93.3Very high24 Ų2433.9 Ų33.911%0.11216%0.164CC..Hα-helixtrans-67.1-41.6179.4-166.1-171.723.900111.8Q57 T58 Y59 R65 D329 L336Q57-Q61 WeakPolarHBondContact O-CB 3.44Å; Q57-Q61 PolarHBondContact O-N 2.88Å; T58-Q61 PolarHBondContact O-N 2.76Å; Y59-Q61 VanDerWaalsContact C-N 3.26Å; Y59-Q61 PolarHBondContact O-N 3.16Å; Q61-R65 VanDerWaalsContact CD-NH2 3.29Å; Q61-R65 VanDerWaalsContact CG-NH2 3.34Å; Q61-R65 WeakPolarHBondContact O-CB 3.41Å; Q61-R65 PolarHBondContact O-N 3.09Å; Q61-R65 VanDerWaalsContact O-N 3.09Å; Q61-D329 HydrophobicContact CG-CB 4.5Å; Q61-D329 WeakPolarHBondContact CG-O 3.49Å; Q61-D329 PolarHBondContact NE2-O 2.94Å; Q61-D329 PolarHBondContact NE2-OD1 3.4Å; Q61-L336 HydrophobicContact CB-CD1 3.97Å
62R92.1Very high93.3Very high53 Ų5337.2 Ų37.220%0.218%0.176CC..Hα-helixtrans-64.5-47.3175.9-70.2179.6-175.4-164.63.1111.5Y31 T58 Y59 R65 E66 G164Y31-R62 HydrophobicContact CE1-CB 4.2Å; T58-R62 VanDerWaalsContact O-CG 3.27Å; T58-R62 WeakPolarHBondContact O-CG 3.45Å; T58-R62 PolarHBondContact O-N 3.09Å; Y59-R62 PolarHBondContact O-N 2.75Å; R62-R65 PolarHBondContact O-N 3.14Å; R62-E66 WeakPolarHBondContact O-CB 3.49Å; R62-E66 PolarHBondContact O-N 3.47Å; R62-G164 WeakPolarHBondContact CG-O 3.48Å
63T94.1Very high93.3Very high0 Ų035.4 Ų35.40%016%0.162CC..Hα-helixtrans-61.4-46.7178-60.60000111.7Y31 V51 P53 Y59 S60 R65 E66 I67 I96 I340Y31-T63 VanDerWaalsContact CE2-OG1 3.3Å; Y31-T63 WeakPolarHBondContact CE2-OG1 3.22Å; V51-T63 HydrophobicContact CG2-CG2 3.89Å; P53-T63 WeakPolarHBondContact CB-OG1 3.12Å; P53-T63 HydrophobicContact CG-CG2 4.17Å; Y59-T63 PolarHBondContact O-N 2.82Å; Y59-T63 PolarHBondContact O-OG1 2.94Å; Y59-T63 VanDerWaalsContact O-OG1 3.14Å; S60-T63 PolarHBondContact O-N 3.4Å; T63-R65 VanDerWaalsContact C-N 3.31Å; T63-R65 PolarHBondContact O-N 3.24Å; T63-E66 PolarHBondContact O-N 2.75Å; T63-I67 HydrophobicContact CG2-CD1 3.76Å; T63-I67 HydrophobicContact CG2-CG1 4.46Å; T63-I67 WeakPolarHBondContact O-CB 3.38Å; T63-I67 WeakPolarHBondContact O-CG1 3.42Å; T63-I67 PolarHBondContact O-N 2.83Å; T63-I96 HydrophobicContact CG2-CD1 3.99Å; T63-I340 HydrophobicContact CG2-CD1 4.42Å
64Y94.7Very high93.4Very high18 Ų1840 Ų407%0.07119%0.187CC..Hα-helixtrans-56.6-48.6176.8176.5-117.2000111.2S60 I67 W68 L336 L339 I340 E343S60-Y64 WeakPolarHBondContact O-CB 3.41Å; S60-Y64 PolarHBondContact O-N 3.4Å; Y64-I67 PolarHBondContact O-N 3.47Å; Y64-W68 AromaticContact CZ-CD1 3.9Å; Y64-W68 WeakPolarHBondContact O-CB 3.29Å; Y64-W68 PolarHBondContact O-N 3.08Å; Y64-L336 HydrophobicContact CD1-CD2 4.33Å; Y64-L336 HydrophobicContact CG-CD2 4.49Å; Y64-L339 HydrophobicContact CD2-CB 3.97Å; Y64-L339 HydrophobicContact CE1-CD1 4.47Å; Y64-L339 HydrophobicContact CE2-CB 3.64Å; Y64-I340 HydrophobicContact CD2-CG1 3.91Å; Y64-I340 HydrophobicContact CG-CG1 4.23Å; Y64-E343 HydrophobicContact CE2-CB 4.28Å
65R92.4Very high93.6Very high12 Ų1239.4 Ų39.45%0.04518%0.184CC..Hα-helixtrans-64.5-45.4-177.8-168.1-179.5-54.9107.91.9112.7Q61 R62 T63 W68 I69 G164 A166 D329Q61-R65 VanDerWaalsContact CD-NH2 3.29Å; Q61-R65 VanDerWaalsContact CG-NH2 3.34Å; Q61-R65 WeakPolarHBondContact O-CB 3.41Å; Q61-R65 PolarHBondContact O-N 3.09Å; Q61-R65 VanDerWaalsContact O-N 3.09Å; R62-R65 PolarHBondContact O-N 3.14Å; T63-R65 VanDerWaalsContact C-N 3.31Å; T63-R65 PolarHBondContact O-N 3.24Å; R65-W68 PolarHBondContact O-N 2.75Å; R65-I69 HydrophobicContact CG-CD1 3.75Å; R65-I69 HydrophobicContact CG-CG1 4.39Å; R65-I69 WeakPolarHBondContact O-CB 3.47Å; R65-I69 WeakPolarHBondContact O-CG1 3.39Å; R65-I69 PolarHBondContact O-N 3.06Å; R65-G164 PolarHBondContact NH1-O 3.21Å; R65-A166 WeakPolarHBondContact CD-O 3.24Å; R65-A166 PolarHBondContact NE-O 3.4Å; R65-D329 IonicContact CZ-OD2 3.41Å; R65-D329 IonicContact NE-OD2 4Å; R65-D329 PolarHBondContact NE-OD2 3.1Å; R65-D329 VanDerWaalsContact NH2-CG 3.33Å; R65-D329 IonicContact NH2-OD1 3.13Å; R65-D329 IonicContact NH2-OD2 3.13Å; R65-D329 PolarHBondContact NH2-OD2 3.4Å
66E93.9Very high93.9Very high1 Ų138.3 Ų38.31%0.00518%0.179CC..Hα-helixtrans-57.4-50.9177.3178.6168.9-126.200110.9Y31 K49 R62 T63 W68 L70Y31-E66 PolarHBondContact OH-OE2 3.04Å; K49-E66 IonicContact NZ-OE1 3.89Å; K49-E66 PolarHBondContact NZ-OE1 3.49Å; K49-E66 IonicContact NZ-OE2 3.43Å; K49-E66 PolarHBondContact NZ-OE2 2.89Å; R62-E66 WeakPolarHBondContact O-CB 3.49Å; R62-E66 PolarHBondContact O-N 3.47Å; T63-E66 PolarHBondContact O-N 2.75Å; E66-W68 PolarHBondContact O-N 2.77Å; E66-L70 HydrophobicContact CG-CD1 3.86Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 WeakPolarHBondContact O-CG 3.33Å; E66-L70 PolarHBondContact O-N 3.26Å
67I95Very high94.2Very high0 Ų033.6 Ų33.60%016%0.158CC..Hα-helixtrans-61.2-46.9177.1-69.1172000110.8T63 Y64 I69 S71 I84 I96 I98 I340 E343T63-I67 HydrophobicContact CG2-CD1 3.76Å; T63-I67 HydrophobicContact CG2-CG1 4.46Å; T63-I67 WeakPolarHBondContact O-CB 3.38Å; T63-I67 WeakPolarHBondContact O-CG1 3.42Å; T63-I67 PolarHBondContact O-N 2.83Å; Y64-I67 PolarHBondContact O-N 3.47Å; I67-I69 PolarHBondContact O-N 2.73Å; I67-S71 WeakPolarHBondContact O-CB 3.5Å; I67-S71 PolarHBondContact O-N 3.45Å; I67-S71 PolarHBondContact O-OG 2.81Å; I67-I84 HydrophobicContact CB-CD1 4.47Å; I67-I84 HydrophobicContact CG1-CD1 4.25Å; I67-I84 HydrophobicContact CG2-CD1 3.56Å; I67-I96 HydrophobicContact CD1-CG2 4.36Å; I67-I98 HydrophobicContact CD1-CD1 4.29Å; I67-I98 HydrophobicContact CG1-CD1 3.84Å; I67-I98 HydrophobicContact CG1-CG1 4.41Å; I67-I340 HydrophobicContact CD1-CG2 4.23Å; I67-E343 HydrophobicContact CG2-CG 3.7Å
68W94.4Very high94.5Very high24 Ų2429.8 Ų29.89%0.09114%0.14CC..Hα-helixtrans-62.8-42.9-175.6-172.4100.2000111.9Y64 R65 E66 S71 R72 F324 Q327Y64-W68 AromaticContact CZ-CD1 3.9Å; Y64-W68 WeakPolarHBondContact O-CB 3.29Å; Y64-W68 PolarHBondContact O-N 3.08Å; R65-W68 PolarHBondContact O-N 2.75Å; E66-W68 PolarHBondContact O-N 2.77Å; W68-S71 PolarHBondContact O-OG 2.99Å; W68-R72 WeakPolarHBondContact O-CD 3.49Å; W68-R72 PolarHBondContact O-NH1 3.18Å; W68-F324 HydrophobicContact CH2-CB 3.97Å; W68-F324 AromaticContact CH2-CD1 3.59Å; W68-F324 HydrophobicContact CH2-CD1 3.59Å; W68-F324 HydrophobicContact CH2-CD2 4.08Å; W68-F324 HydrophobicContact CH2-CE1 4.07Å; W68-F324 HydrophobicContact CH2-CE2 4.49Å; W68-F324 AromaticContact CH2-CG 3.61Å; W68-F324 HydrophobicContact CH2-CG 3.61Å; W68-F324 HydrophobicContact CZ3-CB 4.16Å; W68-F324 AromaticContact CZ3-CD1 3.85Å; W68-F324 HydrophobicContact CZ3-CD1 3.85Å; W68-F324 AromaticContact CZ3-CD2 3.53Å; W68-F324 HydrophobicContact CZ3-CD2 3.53Å; W68-F324 HydrophobicContact CZ3-CE1 4.08Å; W68-F324 AromaticContact CZ3-CE2 3.77Å; W68-F324 HydrophobicContact CZ3-CE2 3.77Å; W68-F324 AromaticContact CZ3-CG 3.58Å; W68-F324 HydrophobicContact CZ3-CG 3.58Å; W68-F324 HydrophobicContact CZ3-CZ 4.06Å; W68-Q327 HydrophobicContact CZ2-CG 4.44Å
69I94.5Very high94.9Very high2 Ų226.4 Ų26.41%0.0112%0.119CC..Hα-helixtrans-70.7-55.8179.1-67.1172.4000110.6R65 I67 S71 R72 M73 V140 F163 A166 F324R65-I69 HydrophobicContact CG-CD1 3.75Å; R65-I69 HydrophobicContact CG-CG1 4.39Å; R65-I69 WeakPolarHBondContact O-CB 3.47Å; R65-I69 WeakPolarHBondContact O-CG1 3.39Å; R65-I69 PolarHBondContact O-N 3.06Å; I67-I69 PolarHBondContact O-N 2.73Å; I69-S71 VanDerWaalsContact C-N 3.3Å; I69-S71 PolarHBondContact O-N 3.43Å; I69-R72 PolarHBondContact O-N 2.84Å; I69-R72 VanDerWaalsContact O-N 3.09Å; I69-M73 HydrophobicContact CG2-CE 3.74Å; I69-M73 HydrophobicContact CG2-CG 4.31Å; I69-M73 HydrophobicContact CG2-SD 3.59Å; I69-M73 VanDerWaalsContact CG2-SD 3.59Å; I69-M73 PolarHBondContact O-N 3.46Å; I69-V140 HydrophobicContact CD1-CG1 4.15Å; I69-F163 HydrophobicContact CG2-CD1 3.67Å; I69-F163 HydrophobicContact CG2-CE1 4.12Å; I69-F163 HydrophobicContact CG2-CG 4.31Å; I69-A166 HydrophobicContact CD1-CB 3.55Å; I69-F324 HydrophobicContact CG2-CE2 4.42Å
70L94.9Very high95Very high5 Ų526.4 Ų26.43%0.02612%0.121CC..Hα-helixtrans-67.9-29-172.4-72.5176.7000113.1E66 R72 I78 V79 I81 F163E66-L70 HydrophobicContact CG-CD1 3.86Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 WeakPolarHBondContact O-CG 3.33Å; E66-L70 PolarHBondContact O-N 3.26Å; L70-R72 PolarHBondContact O-N 3.5Å; L70-I78 HydrophobicContact CD2-CG2 3.73Å; L70-V79 HydrophobicContact CD1-CG1 3.86Å; L70-V79 HydrophobicContact CD2-CG1 3.92Å; L70-I81 HydrophobicContact CB-CD1 3.42Å; L70-I81 VanDerWaalsContact CB-CD1 3.42Å; L70-I81 HydrophobicContact CB-CG1 3.87Å; L70-I81 HydrophobicContact CD1-CD1 4.18Å; L70-I81 HydrophobicContact CD1-CG1 4.35Å; L70-I81 HydrophobicContact CG-CD1 4.46Å; L70-F163 HydrophobicContact CD1-CD2 4.24Å; L70-F163 HydrophobicContact CD2-CD2 3.56Å; L70-F163 HydrophobicContact CD2-CE2 3.63Å; L70-F163 HydrophobicContact CD2-CG 4.17Å; L70-F163 HydrophobicContact CD2-CZ 4.27Å; L70-F163 HydrophobicContact CG-CB 4.47Å; L70-F163 HydrophobicContact CG-CD2 3.99Å; L70-F163 HydrophobicContact CG-CG 4.31Å
71S94.1Very high95.1Very high17 Ų1726.7 Ų26.712%0.11912%0.122CC..THydrogen-bonded Turntrans-70.1-7.2175.464.40000114.4I67 W68 I69 E343 R346I67-S71 WeakPolarHBondContact O-CB 3.5Å; I67-S71 PolarHBondContact O-N 3.45Å; I67-S71 PolarHBondContact O-OG 2.81Å; W68-S71 PolarHBondContact O-OG 2.99Å; I69-S71 VanDerWaalsContact C-N 3.3Å; I69-S71 PolarHBondContact O-N 3.43Å; S71-E343 PolarHBondContact OG-OE1 3.1Å; S71-R346 PolarHBondContact OG-NH2 2.87Å; S71-R346 VanDerWaalsContact OG-NH2 3.1Å
72R94.2Very high95.2Very high69 Ų6926.5 Ų26.526%0.2612%0.121SC..THydrogen-bonded Turntrans-115-18.8-180-71.1170.3-179.767.41.3113.1W68 I69 L70 F320 F324 E343W68-R72 WeakPolarHBondContact O-CD 3.49Å; W68-R72 PolarHBondContact O-NH1 3.18Å; I69-R72 PolarHBondContact O-N 2.84Å; I69-R72 VanDerWaalsContact O-N 3.09Å; L70-R72 PolarHBondContact O-N 3.5Å; R72-F320 VanDerWaalsContact O-CE2 3.29Å; R72-F320 WeakPolarHBondContact O-CE2 3.45Å; R72-F324 HydrophobicContact CB-CE1 4.03Å; R72-F324 HydrophobicContact CB-CZ 3.71Å; R72-E343 IonicContact CZ-OE1 3.45Å; R72-E343 IonicContact CZ-OE2 2.7Å; R72-E343 VanDerWaalsContact NH1-CD 3.33Å; R72-E343 IonicContact NH1-OE1 3.06Å; R72-E343 PolarHBondContact NH1-OE1 3Å; R72-E343 IonicContact NH1-OE2 2.75Å; R72-E343 PolarHBondContact NH1-OE2 3.35Å; R72-E343 IonicContact NH2-OE1 2.69Å; R72-E343 PolarHBondContact NH2-OE1 2.97Å; R72-E343 IonicContact NH2-OE2 2.89Å; R72-E343 PolarHBondContact NH2-OE2 3.41Å
73M94.3Very high95.3Very high14 Ų1424.8 Ų24.87%0.06912%0.116CC..  trans-88.1139178.6-70.9-175.7165.600111.1I69 I78 Y134 I135 A138 V140 F163 F320 F324I69-M73 HydrophobicContact CG2-CE 3.74Å; I69-M73 HydrophobicContact CG2-CG 4.31Å; I69-M73 HydrophobicContact CG2-SD 3.59Å; I69-M73 VanDerWaalsContact CG2-SD 3.59Å; I69-M73 PolarHBondContact O-N 3.46Å; M73-I78 HydrophobicContact SD-CD1 3.94Å; M73-Y134 HydrophobicContact CB-CE1 3.92Å; M73-Y134 HydrophobicContact CG-CE1 3.97Å; M73-I135 HydrophobicContact CE-CG1 4.38Å; M73-I135 HydrophobicContact SD-CG1 4.44Å; M73-A138 HydrophobicContact CE-CB 3.69Å; M73-V140 HydrophobicContact CE-CB 4.19Å; M73-V140 HydrophobicContact CE-CG2 3.85Å; M73-F163 HydrophobicContact SD-CE1 4.09Å; M73-F163 HydrophobicContact SD-CZ 4.42Å; M73-F320 HydrophobicContact CG-CD2 4.4Å; M73-F320 HydrophobicContact CG-CE2 4.19Å; M73-F324 HydrophobicContact CE-CE2 4.09Å
74D95.1Very high95.4Very high98 Ų9824.8 Ų24.852%0.52412%0.116SC..  trans-136.9104.1168.7-161.312.3000109.2K80 Y134D74-K80 VanDerWaalsContact CG-NZ 3.28Å; D74-K80 WeakPolarHBondContact OD1-CE 3.07Å; D74-K80 IonicContact OD1-NZ 3.83Å; D74-K80 PolarHBondContact OD1-NZ 2.92Å; D74-K80 IonicContact OD2-NZ 3.89Å; D74-K80 PolarHBondContact OD2-NZ 3.07Å; D74-Y134 PolarHBondContact N-OH 3.28Å; D74-Y134 PolarHBondContact O-OH 3.1Å
75H97.9Very high95.3Very high11 Ų1125.8 Ų25.85%0.05112%0.122CC..  trans-151.6143.8-177.5-170.9-91.4000109.8N77 I78 Y134 R159H75-N77 VanDerWaalsContact C-N 3.27Å; H75-N77 PolarHBondContact CE1-OD1 2.88Å; H75-N77 VanDerWaalsContact CE1-OD1 3.3Å; H75-N77 PolarHBondContact ND1-N 3.11Å; H75-N77 PolarHBondContact O-N 2.98Å; H75-I78 HydrophobicContact CB-CB 4.22Å; H75-I78 HydrophobicContact CB-CD1 3.82Å; H75-I78 HydrophobicContact CB-CG1 3.97Å; H75-I78 PolarHBondContact O-N 3.37Å; H75-Y134 HydrophobicContact CB-CD1 3.81Å; H75-Y134 HydrophobicContact CB-CD2 4.27Å; H75-Y134 HydrophobicContact CB-CE1 3.99Å; H75-Y134 HydrophobicContact CB-CE2 4.46Å; H75-Y134 HydrophobicContact CB-CG 3.92Å; H75-Y134 AromaticContact CD2-CD2 3.58Å; H75-Y134 AromaticContact CD2-CG 3.61Å; H75-Y134 AromaticContact CG-CG 3.88Å; H75-R159 PolarHBondContact O-NH1 3.38Å
76E98.1Very high95.4Very high119 Ų11926 Ų2656%0.55613%0.125SC*.THydrogen-bonded Turntrans-64.8-34.1-176.6-64.5173.5148.200112.4R130 R159E76-R130 IonicContact OE2-CZ 3.09Å; E76-R130 IonicContact OE2-NH1 3.7Å; E76-R130 PolarHBondContact OE2-NH1 2.79Å; E76-R130 IonicContact OE2-NH2 2.71Å; E76-R130 PolarHBondContact OE2-NH2 2.88Å; E76-R130 VanDerWaalsContact OE2-NH2 3.13Å; E76-R159 VanDerWaalsContact O-CG 3.29Å; E76-R159 WeakPolarHBondContact O-CG 3.32Å; E76-R159 PolarHBondContact O-NE 3.16Å; E76-R159 PolarHBondContact O-NH1 3.29Å; E76-R159 VanDerWaalsContact O-NH1 3.15Å
77N98.8Very high95.3Very high6 Ų627.8 Ų27.83%0.03214%0.138CC..THydrogen-bonded Turntrans-92.517.9178.7-50.1112000115.2H75 Q127 R130 L158 I160H75-N77 VanDerWaalsContact C-N 3.27Å; H75-N77 PolarHBondContact CE1-OD1 2.88Å; H75-N77 VanDerWaalsContact CE1-OD1 3.3Å; H75-N77 PolarHBondContact ND1-N 3.11Å; H75-N77 PolarHBondContact O-N 2.98Å; N77-Q127 WeakPolarHBondContact CB-O 3.4Å; N77-Q127 WeakPolarHBondContact ND2-CB 3.27Å; N77-Q127 PolarHBondContact ND2-OE1 3.2Å; N77-Q127 VanDerWaalsContact ND2-OE1 3.09Å; N77-R130 WeakPolarHBondContact OD1-CD 3.39Å; N77-R130 PolarHBondContact OD1-NH1 3.29Å; N77-L158 WeakPolarHBondContact CA-O 3.49Å; N77-L158 PolarHBondContact ND2-O 3.4Å; N77-I160 PolarHBondContact O-N 2.82Å
78I98.4Very high95Very high2 Ų232.7 Ų32.71%0.0117%0.171CC..BIsolated β-bridgetrans-124.5143.1172.5-57.8175.9000108.2L70 M73 H75 K80 Y134 I135 R159 F163L70-I78 HydrophobicContact CD2-CG2 3.73Å; M73-I78 HydrophobicContact SD-CD1 3.94Å; H75-I78 HydrophobicContact CB-CB 4.22Å; H75-I78 HydrophobicContact CB-CD1 3.82Å; H75-I78 HydrophobicContact CB-CG1 3.97Å; H75-I78 PolarHBondContact O-N 3.37Å; I78-K80 PolarHBondContact O-N 3.47Å; I78-Y134 HydrophobicContact CD1-CD1 3.56Å; I78-Y134 HydrophobicContact CD1-CE1 4.26Å; I78-Y134 HydrophobicContact CD1-CG 4.39Å; I78-I135 HydrophobicContact CD1-CD1 4.14Å; I78-I135 HydrophobicContact CD1-CG1 3.56Å; I78-I135 HydrophobicContact CG1-CD1 4.37Å; I78-I135 HydrophobicContact CG1-CG1 4.32Å; I78-R159 PolarHBondContact O-NH1 2.88Å; I78-F163 HydrophobicContact CG2-CE2 3.88Å; I78-F163 HydrophobicContact CG2-CZ 3.83Å
79V96.9Very high95.1Very high3 Ų333.9 Ų33.92%0.01818%0.182CC..PPolyproline II helixtrans-59.7129.7176.469.30000110.1L70 E100 L151 I160 C161L70-V79 HydrophobicContact CD1-CG1 3.86Å; L70-V79 HydrophobicContact CD2-CG1 3.92Å; V79-E100 HydrophobicContact CG2-CB 3.87Å; V79-E100 HydrophobicContact CG2-CG 4.14Å; V79-L151 HydrophobicContact CG2-CD1 4.46Å; V79-I160 PolarHBondContact N-O 3.24Å; V79-C161 HydrophobicContact CB-CB 4.04Å; V79-C161 HydrophobicContact CG1-CB 3.81Å
80K95.5Very high95.1Very high77 Ų7736.5 Ų36.534%0.33519%0.193SC..PPolyproline II helixtrans-95124.9-178.9-172.7162.4-170.4149.40109.8D74 I78 H82 E100 C101D74-K80 VanDerWaalsContact CG-NZ 3.28Å; D74-K80 WeakPolarHBondContact OD1-CE 3.07Å; D74-K80 IonicContact OD1-NZ 3.83Å; D74-K80 PolarHBondContact OD1-NZ 2.92Å; D74-K80 IonicContact OD2-NZ 3.89Å; D74-K80 PolarHBondContact OD2-NZ 3.07Å; I78-K80 PolarHBondContact O-N 3.47Å; K80-H82 PolarHBondContact O-N 3.17Å; K80-E100 VanDerWaalsContact O-CA 3.29Å; K80-E100 WeakPolarHBondContact O-CA 3.15Å; K80-C101 PolarHBondContact N-SG 3.49Å; K80-C101 PolarHBondContact O-N 3.25Å; K80-C101 VanDerWaalsContact O-N 3.14Å
81I95.6Very high95.1Very high6 Ų643 Ų433%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-73.9123.5165.3-64-179.9000107.6L70 D83 I84 I98 V99 E100 Y347L70-I81 HydrophobicContact CB-CD1 3.42Å; L70-I81 VanDerWaalsContact CB-CD1 3.42Å; L70-I81 HydrophobicContact CB-CG1 3.87Å; L70-I81 HydrophobicContact CD1-CD1 4.18Å; L70-I81 HydrophobicContact CD1-CG1 4.35Å; L70-I81 HydrophobicContact CG-CD1 4.46Å; I81-D83 WeakPolarHBondContact CG2-O 3.37Å; I81-I84 HydrophobicContact CG2-CD1 4.29Å; I81-I84 HydrophobicContact CG2-CG1 3.78Å; I81-I98 HydrophobicContact CD1-CG2 3.78Å; I81-I98 HydrophobicContact CG1-CG2 3.8Å; I81-I98 HydrophobicContact CG2-CG2 4.22Å; I81-V99 CarbonylContact C-O 3.42Å; I81-E100 HydrophobicContact CG1-CG 4.49Å; I81-Y347 HydrophobicContact CG2-CE1 3.96Å; I81-Y347 PolarHBondContact O-OH 3.48Å
82H94.5Very high95.2Very high20 Ų2047.2 Ų47.29%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-92-35.5171.4-68.1-44.4000112R42 E44 K80 V99 C101 K351R42-H82 PolarHBondContact NH2-CE1 2.67Å; R42-H82 PolarHBondContact NH2-ND1 2.71Å; E44-H82 IonicContact OE1-CD2 2.72Å; E44-H82 IonicContact OE1-NE2 2.64Å; K80-H82 PolarHBondContact O-N 3.17Å; H82-V99 HydrophobicContact CB-CG1 4.3Å; H82-V99 PolarHBondContact N-O 2.79Å; H82-C101 PolarHBondContact CD2-N 3.29Å; H82-C101 WeakPolarHBondContact NE2-CA 3.29Å; H82-C101 PolarHBondContact NE2-N 3.35Å; H82-K351 PolarHBondContact O-NZ 3.3Å
83D94.5Very high95.2Very high17 Ų1744 Ų449%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-159.7163.1-179.6-143.8-27.9000111.9R19 I81 V99 K351R19-D83 IonicContact CZ-OD2 3.09Å; R19-D83 IonicContact NH1-OD2 2.71Å; R19-D83 PolarHBondContact NH1-OD2 3.01Å; R19-D83 IonicContact NH2-OD2 3.3Å; R19-D83 PolarHBondContact NH2-OD2 3.43Å; I81-D83 WeakPolarHBondContact CG2-O 3.37Å; D83-V99 HydrophobicContact CB-CB 3.87Å; D83-V99 HydrophobicContact CB-CG2 3.91Å; D83-V99 PolarHBondContact N-O 3.4Å; D83-V99 WeakPolarHBondContact O-CB 3.44Å; D83-V99 PolarHBondContact O-N 2.82Å; D83-K351 IonicContact OD2-NZ 2.93Å; D83-K351 PolarHBondContact OD2-NZ 2.68Å
84I95.1Very high95.1Very high0 Ų050.7 Ų50.70%026%0.258CS..EExtended strand (participates in β ladder)trans-133116.1170.4-49.2174.3000109I67 I81 I96 Y97 I344 Y347 R348I67-I84 HydrophobicContact CB-CD1 4.47Å; I67-I84 HydrophobicContact CG1-CD1 4.25Å; I67-I84 HydrophobicContact CG2-CD1 3.56Å; I81-I84 HydrophobicContact CG2-CD1 4.29Å; I81-I84 HydrophobicContact CG2-CG1 3.78Å; I84-I96 HydrophobicContact CG2-CG2 3.45Å; I84-I96 VanDerWaalsContact CG2-CG2 3.45Å; I84-Y97 WeakPolarHBondContact CA-O 3.41Å; I84-I344 HydrophobicContact CB-CG1 4.37Å; I84-I344 HydrophobicContact CB-CG2 4.39Å; I84-I344 HydrophobicContact CD1-CG1 4.44Å; I84-I344 HydrophobicContact CG2-CD1 3.87Å; I84-I344 HydrophobicContact CG2-CG1 3.76Å; I84-I344 HydrophobicContact CG2-CG2 4.34Å; I84-Y347 HydrophobicContact CD1-CD1 4.03Å; I84-Y347 HydrophobicContact CD1-CG 4.37Å; I84-Y347 HydrophobicContact CG1-CD1 4.07Å; I84-Y347 HydrophobicContact CG1-CE1 4.25Å; I84-R348 PolarHBondContact O-NE 2.87Å; I84-R348 VanDerWaalsContact O-NE 3.08Å; I84-R348 PolarHBondContact O-NH2 2.86Å
85I93.4Very high95Very high38 Ų3848 Ų4820%0.19524%0.243CC..EExtended strand (participates in β ladder)trans-106.8136.8-175.2-53.4172.7000109F20 I96 Y97 V99F20-I85 HydrophobicContact CD2-CD1 4.34Å; F20-I85 HydrophobicContact CE2-CD1 3.2Å; F20-I85 HydrophobicContact CZ-CD1 3.53Å; I85-I96 CarbonylContact O-C 3.52Å; I85-I96 WeakPolarHBondContact O-CA 3.44Å; I85-Y97 HydrophobicContact CB-CD2 4.47Å; I85-Y97 HydrophobicContact CG2-CD2 4.48Å; I85-Y97 PolarHBondContact N-O 2.8Å; I85-Y97 PolarHBondContact O-N 3.49Å; I85-V99 HydrophobicContact CD1-CG2 3.84Å; I85-V99 HydrophobicContact CG1-CG2 4.19Å
86T93.8Very high94.9Very high17 Ų1747.5 Ų47.510%0.10424%0.241CC..  trans-158.7173.2179.3-174.40000107.6M93 D95 W341 I344T86-M93 HydrophobicContact CG2-SD 4.32Å; T86-M93 WeakPolarHBondContact OG1-CG 3.33Å; T86-M93 PolarHBondContact OG1-SD 2.55Å; T86-M93 VanDerWaalsContact OG1-SD 3.4Å; T86-D95 PolarHBondContact OG1-O 3.27Å; T86-W341 HydrophobicContact CG2-CE3 4.44Å; T86-W341 HydrophobicContact CG2-CZ3 4.05Å; T86-I344 HydrophobicContact CG2-CD1 4.15Å; T86-I344 HydrophobicContact CG2-CG2 4.05Å
87S92.4Very high94.7Very high39 Ų3942.5 Ų42.527%0.27322%0.217SC..  trans-52.8156.9175.8-520000112.6T89 E92S87-T89 VanDerWaalsContact C-N 3.26Å; S87-T89 PolarHBondContact O-N 2.84Å; S87-E92 WeakPolarHBondContact CB-O 3.4Å; S87-E92 VanDerWaalsContact OG-C 3.3Å; S87-E92 PolarHBondContact OG-O 3.48Å
88S89.7Confident94.6Very high102 Ų10242.2 Ų42.271%0.71322%0.216SC*.SBendtrans-67.9-26.1-179.947.80000113E92S88-E92 PolarHBondContact OG-OE2 3.49Å
89T94.5Very high94.4Very high50 Ų5042.1 Ų42.131%0.30722%0.215SC..SBendtrans-120.2156.6179.3680000112S87 E91 E92 M93 W341S87-T89 VanDerWaalsContact C-N 3.26Å; S87-T89 PolarHBondContact O-N 2.84Å; T89-E91 VanDerWaalsContact C-N 3.32Å; T89-E92 VanDerWaalsContact OG1-CB 3.29Å; T89-E92 WeakPolarHBondContact OG1-CB 3.41Å; T89-E92 WeakPolarHBondContact OG1-CG 3.46Å; T89-E92 PolarHBondContact OG1-N 3.39Å; T89-E92 PolarHBondContact OG1-OE2 2.79Å; T89-M93 PolarHBondContact O-N 2.95Å; T89-W341 WeakPolarHBondContact O-CZ3 3.47Å
90F96Very high94.4Very high57 Ų5742.7 Ų42.725%0.2522%0.218CC..THydrogen-bonded Turntrans-64.9-39.1178.4170.5-103000111.7E92 M93 K337 I338 W341F90-E92 VanDerWaalsContact C-N 3.34Å; F90-E92 PolarHBondContact O-N 3.15Å; F90-M93 HydrophobicContact CD2-CE 4.29Å; F90-M93 HydrophobicContact CE2-CE 4.35Å; F90-M93 WeakPolarHBondContact O-CB 3.48Å; F90-M93 PolarHBondContact O-N 2.91Å; F90-K337 HydrophobicContact CE2-CB 4.43Å; F90-K337 HydrophobicContact CE2-CD 4.21Å; F90-K337 HydrophobicContact CE2-CG 3.77Å; F90-K337 HydrophobicContact CZ-CB 4.5Å; F90-K337 HydrophobicContact CZ-CD 4.09Å; F90-K337 HydrophobicContact CZ-CG 4.02Å; F90-K337 PolarHBondContact O-NZ 3.29Å; F90-I338 HydrophobicContact CE2-CB 4.48Å; F90-I338 HydrophobicContact CE2-CG1 3.99Å; F90-I338 HydrophobicContact CZ-CG1 3.62Å; F90-W341 HydrophobicContact CB-CD2 4Å; F90-W341 HydrophobicContact CB-CE3 4.33Å; F90-W341 HydrophobicContact CB-CG 4.38Å; F90-W341 HydrophobicContact CB-CZ2 4.27Å; F90-W341 HydrophobicContact CD2-CB 3.67Å; F90-W341 AromaticContact CD2-CD2 3.97Å; F90-W341 HydrophobicContact CD2-CD2 3.97Å; F90-W341 HydrophobicContact CD2-CE3 4.38Å; F90-W341 AromaticContact CD2-CG 3.65Å; F90-W341 HydrophobicContact CD2-CG 3.65Å; F90-W341 HydrophobicContact CE2-CB 4.06Å; F90-W341 HydrophobicContact CE2-CG 4.47Å; F90-W341 HydrophobicContact CG-CG 4.47Å
91E95.5Very high94.3Very high141 Ų14139.8 Ų39.866%0.65921%0.207SC*.THydrogen-bonded Turntrans-64.8-40.5-178.3-66.568.2-15000110.9T89 M93T89-E91 VanDerWaalsContact C-N 3.32Å; E91-M93 VanDerWaalsContact C-N 3.33Å
92E94.5Very high94.4Very high106 Ų10641.6 Ų41.650%0.49521%0.214SC..THydrogen-bonded Turntrans-82.1-9.3-179.9-65.4168.7152.200113.4S87 S88 T89 F90 K94S87-E92 WeakPolarHBondContact CB-O 3.4Å; S87-E92 VanDerWaalsContact OG-C 3.3Å; S87-E92 PolarHBondContact OG-O 3.48Å; S88-E92 PolarHBondContact OG-OE2 3.49Å; T89-E92 VanDerWaalsContact OG1-CB 3.29Å; T89-E92 WeakPolarHBondContact OG1-CB 3.41Å; T89-E92 WeakPolarHBondContact OG1-CG 3.46Å; T89-E92 PolarHBondContact OG1-N 3.39Å; T89-E92 PolarHBondContact OG1-OE2 2.79Å; F90-E92 VanDerWaalsContact C-N 3.34Å; F90-E92 PolarHBondContact O-N 3.15Å; E92-K94 PolarHBondContact O-N 2.87Å
93M94.5Very high94.4Very high0 Ų041.4 Ų41.40%021%0.214CC..  trans-64.8107179.1175.3168.273.500110.4F54 T86 T89 F90 E91 I96 K337 W341 I344F54-M93 HydrophobicContact CE1-CE 3.99Å; F54-M93 HydrophobicContact CE2-CE 4.29Å; F54-M93 HydrophobicContact CE2-CG 3.61Å; F54-M93 HydrophobicContact CE2-SD 4.31Å; F54-M93 HydrophobicContact CZ-CE 3.52Å; F54-M93 HydrophobicContact CZ-CG 3.7Å; F54-M93 HydrophobicContact CZ-SD 3.77Å; T86-M93 HydrophobicContact CG2-SD 4.32Å; T86-M93 WeakPolarHBondContact OG1-CG 3.33Å; T86-M93 PolarHBondContact OG1-SD 2.55Å; T86-M93 VanDerWaalsContact OG1-SD 3.4Å; T89-M93 PolarHBondContact O-N 2.95Å; F90-M93 HydrophobicContact CD2-CE 4.29Å; F90-M93 HydrophobicContact CE2-CE 4.35Å; F90-M93 WeakPolarHBondContact O-CB 3.48Å; F90-M93 PolarHBondContact O-N 2.91Å; E91-M93 VanDerWaalsContact C-N 3.33Å; M93-I96 HydrophobicContact SD-CG1 4.3Å; M93-K337 HydrophobicContact CE-CD 4.49Å; M93-K337 HydrophobicContact CE-CG 3.65Å; M93-K337 WeakPolarHBondContact CE-O 3.27Å; M93-K337 WeakPolarHBondContact O-CE 3.34Å; M93-K337 PolarHBondContact O-NZ 2.83Å; M93-W341 HydrophobicContact CB-CE3 4.34Å; M93-W341 HydrophobicContact CB-CZ3 4.37Å; M93-W341 HydrophobicContact CE-CB 3.83Å; M93-W341 HydrophobicContact CE-CE3 4.06Å; M93-W341 HydrophobicContact SD-CE3 3.74Å; M93-W341 HydrophobicContact SD-CZ3 4.41Å; M93-I344 HydrophobicContact SD-CD1 4.39Å
94K92.7Very high94.4Very high155 Ų15545.3 Ų45.367%0.67423%0.231SC*.  trans-117.4-44174.9-67.1-177.7-178.1179.70112.1F54 E92F54-K94 VanDerWaalsContact CD2-O 3.31Å; F54-K94 WeakPolarHBondContact CD2-O 3.19Å; F54-K94 WeakPolarHBondContact CE2-O 3.39Å; E92-K94 PolarHBondContact O-N 2.87Å
95D93.2Very high94.4Very high42 Ų4247 Ų4723%0.22524%0.242CC..  trans-115.5144.9-179-63.1-32.4000110.1K50 V51 S52 T86 Y97K50-D95 WeakPolarHBondContact CE-OD2 3.14Å; K50-D95 IonicContact NZ-OD2 2.68Å; K50-D95 PolarHBondContact NZ-OD2 2.77Å; V51-D95 WeakPolarHBondContact O-CA 3.29Å; S52-D95 WeakPolarHBondContact CB-OD1 3.46Å; S52-D95 PolarHBondContact OG-OD1 2.99Å; T86-D95 PolarHBondContact OG1-O 3.27Å; D95-Y97 HydrophobicContact CB-CE2 4.09Å
96I95Very high94.6Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-120.4135.9170-59159000107.6K50 V51 P53 F54 T63 I67 I84 I85 M93 I98 I340 I344K50-I96 CarbonylContact C-O 3.58Å; K50-I96 WeakPolarHBondContact CA-O 3.16Å; V51-I96 HydrophobicContact CG2-CB 3.76Å; V51-I96 HydrophobicContact CG2-CD1 4.48Å; V51-I96 HydrophobicContact CG2-CG2 4.4Å; V51-I96 PolarHBondContact N-O 2.9Å; V51-I96 PolarHBondContact O-N 2.9Å; P53-I96 HydrophobicContact CG-CD1 4.33Å; F54-I96 HydrophobicContact CE1-CD1 4.43Å; F54-I96 HydrophobicContact CE2-CD1 4.37Å; F54-I96 HydrophobicContact CZ-CD1 3.67Å; F54-I96 HydrophobicContact CZ-CG1 4.21Å; T63-I96 HydrophobicContact CG2-CD1 3.99Å; I67-I96 HydrophobicContact CD1-CG2 4.36Å; I84-I96 HydrophobicContact CG2-CG2 3.45Å; I84-I96 VanDerWaalsContact CG2-CG2 3.45Å; I85-I96 CarbonylContact O-C 3.52Å; I85-I96 WeakPolarHBondContact O-CA 3.44Å; M93-I96 HydrophobicContact SD-CG1 4.3Å; I96-I98 HydrophobicContact CG2-CG1 4.17Å; I96-I340 HydrophobicContact CD1-CG2 3.46Å; I96-I340 VanDerWaalsContact CD1-CG2 3.46Å; I96-I344 HydrophobicContact CD1-CD1 4.21Å; I96-I344 HydrophobicContact CG1-CD1 4.19Å; I96-I344 HydrophobicContact CG2-CD1 4.18Å
97Y95Very high94.8Very high15 Ų1546.4 Ų46.46%0.05924%0.238CC..EExtended strand (participates in β ladder)trans-112.9110.6172-52.4-99.2000108.2F14 L16 K49 K50 I84 I85 D95F14-Y97 HydrophobicContact CD1-CD1 4.1Å; F14-Y97 AromaticContact CD1-CE1 3.65Å; F14-Y97 HydrophobicContact CD1-CE1 3.65Å; F14-Y97 HydrophobicContact CE1-CD1 4.25Å; F14-Y97 HydrophobicContact CE1-CE1 4.05Å; F14-Y97 HydrophobicContact CG-CE1 4.38Å; L16-Y97 HydrophobicContact CD2-CD1 3.6Å; L16-Y97 HydrophobicContact CD2-CD2 4.38Å; L16-Y97 HydrophobicContact CD2-CE1 3.82Å; L16-Y97 HydrophobicContact CD2-CG 3.9Å; L16-Y97 HydrophobicContact CG-CE1 4.43Å; K49-Y97 WeakPolarHBondContact O-CA 3.33Å; K50-Y97 HydrophobicContact CB-CD1 3.81Å; K50-Y97 HydrophobicContact CB-CE1 3.87Å; K50-Y97 HydrophobicContact CD-CD1 4.46Å; K50-Y97 HydrophobicContact CD-CE1 3.65Å; K50-Y97 HydrophobicContact CG-CD1 4.04Å; K50-Y97 HydrophobicContact CG-CE1 3.7Å; K50-Y97 PolarHBondContact NZ-OH 3.31Å; I84-Y97 WeakPolarHBondContact CA-O 3.41Å; I85-Y97 HydrophobicContact CB-CD2 4.47Å; I85-Y97 HydrophobicContact CG2-CD2 4.48Å; I85-Y97 PolarHBondContact N-O 2.8Å; I85-Y97 PolarHBondContact O-N 3.49Å; D95-Y97 HydrophobicContact CB-CE2 4.09Å
98I95.3Very high95Very high0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-87.7116.2173.6-51.3175.3000106.6L48 K49 I67 I81 I96 E100L48-I98 WeakPolarHBondContact CA-O 3.48Å; K49-I98 HydrophobicContact CB-CB 4.37Å; K49-I98 PolarHBondContact N-O 2.99Å; K49-I98 PolarHBondContact O-N 2.91Å; I67-I98 HydrophobicContact CD1-CD1 4.29Å; I67-I98 HydrophobicContact CG1-CD1 3.84Å; I67-I98 HydrophobicContact CG1-CG1 4.41Å; I81-I98 HydrophobicContact CD1-CG2 3.78Å; I81-I98 HydrophobicContact CG1-CG2 3.8Å; I81-I98 HydrophobicContact CG2-CG2 4.22Å; I96-I98 HydrophobicContact CG2-CG1 4.17Å; I98-E100 HydrophobicContact CG2-CG 3.91Å
99V95.9Very high95.3Very high0 Ų048.2 Ų48.20%023%0.227CC..EExtended strand (participates in β ladder)trans-92.8119.8179.5-172.20000107.9F20 V46 A47 L48 I81 H82 D83 I85F20-V99 HydrophobicContact CE1-CG1 4.06Å; F20-V99 HydrophobicContact CE1-CG2 4.35Å; F20-V99 HydrophobicContact CZ-CG1 4.34Å; F20-V99 HydrophobicContact CZ-CG2 3.9Å; V46-V99 HydrophobicContact CB-CG1 3.89Å; V46-V99 HydrophobicContact CG1-CG1 4.16Å; V46-V99 HydrophobicContact CG2-CG1 3.87Å; A47-V99 CarbonylContact O-C 3.59Å; A47-V99 WeakPolarHBondContact O-CA 3.22Å; L48-V99 HydrophobicContact CD2-CG2 3.96Å; L48-V99 HydrophobicContact CG-CG2 4.34Å; I81-V99 CarbonylContact C-O 3.42Å; H82-V99 HydrophobicContact CB-CG1 4.3Å; H82-V99 PolarHBondContact N-O 2.79Å; D83-V99 HydrophobicContact CB-CB 3.87Å; D83-V99 HydrophobicContact CB-CG2 3.91Å; D83-V99 PolarHBondContact N-O 3.4Å; D83-V99 WeakPolarHBondContact O-CB 3.44Å; D83-V99 PolarHBondContact O-N 2.82Å; I85-V99 HydrophobicContact CD1-CG2 3.84Å; I85-V99 HydrophobicContact CG1-CG2 4.19Å
100E96Very high95.4Very high15 Ų1547.4 Ų47.47%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-125.7161.9-172.2-63.8175.9160.600110.7V46 A47 V79 K80 I81 I98 F102V46-E100 WeakPolarHBondContact CB-O 3.44Å; A47-E100 HydrophobicContact CB-CB 4.4Å; A47-E100 PolarHBondContact N-O 3.28Å; A47-E100 PolarHBondContact O-N 3.09Å; V79-E100 HydrophobicContact CG2-CB 3.87Å; V79-E100 HydrophobicContact CG2-CG 4.14Å; K80-E100 VanDerWaalsContact O-CA 3.29Å; K80-E100 WeakPolarHBondContact O-CA 3.15Å; I81-E100 HydrophobicContact CG1-CG 4.49Å; I98-E100 HydrophobicContact CG2-CG 3.91Å; E100-F102 PolarHBondContact O-N 3.09Å
101C94.3Very high95.5Very high15 Ų1545.1 Ų45.110%0.10121%0.21CC..EExtended strand (participates in β ladder)trans-57.9133.1168.657.90000110.3K80 H82 R159K80-C101 PolarHBondContact N-SG 3.49Å; K80-C101 PolarHBondContact O-N 3.25Å; K80-C101 VanDerWaalsContact O-N 3.14Å; H82-C101 PolarHBondContact CD2-N 3.29Å; H82-C101 WeakPolarHBondContact NE2-CA 3.29Å; H82-C101 PolarHBondContact NE2-N 3.35Å; C101-R159 WeakPolarHBondContact SG-CD 3.3Å
102F96Very high95.6Very high44 Ų4446.3 Ų46.319%0.19321%0.213CC..  trans-77.5137.2177.8-179.2-105.1000111.1V26 S36 K45 A47 E100 E104V26-F102 HydrophobicContact CG2-CE2 4.07Å; S36-F102 VanDerWaalsContact CB-CE2 3.45Å; K45-F102 HydrophobicContact CD-CD1 3.71Å; K45-F102 HydrophobicContact CD-CE1 3.78Å; K45-F102 HydrophobicContact CD-CG 4.16Å; K45-F102 HydrophobicContact CD-CZ 4.31Å; K45-F102 HydrophobicContact CG-CB 4.27Å; K45-F102 HydrophobicContact CG-CD1 3.97Å; K45-F102 HydrophobicContact CG-CD2 4.5Å; K45-F102 HydrophobicContact CG-CE1 4.49Å; K45-F102 HydrophobicContact CG-CG 3.97Å; K45-F102 VanDerWaalsContact O-CB 3.32Å; K45-F102 WeakPolarHBondContact O-CB 3.46Å; A47-F102 HydrophobicContact CB-CD2 4.36Å; E100-F102 PolarHBondContact O-N 3.09Å; F102-E104 HydrophobicContact CE1-CG 4.14Å
103M95.9Very high95.6Very high17 Ų1745.9 Ų45.98%0.08422%0.218CC..  trans-128.7136.3173-56.3-67.8-76.500108.4T105 L151 N153 D157 R159M103-T105 PolarHBondContact O-N 2.98Å; M103-L151 HydrophobicContact CB-CB 3.66Å; M103-L151 HydrophobicContact CB-CD1 4.29Å; M103-L151 HydrophobicContact CB-CG 4.49Å; M103-L151 HydrophobicContact CE-CB 4.33Å; M103-L151 HydrophobicContact CG-CB 3.63Å; M103-L151 HydrophobicContact CG-CD1 3.99Å; M103-L151 HydrophobicContact CG-CG 4.46Å; M103-N153 HydrophobicContact CE-CB 4.1Å; M103-N153 HydrophobicContact SD-CB 4.31Å; M103-D157 WeakPolarHBondContact CE-O 3.35Å; M103-R159 HydrophobicContact CE-CB 4.19Å; M103-R159 HydrophobicContact CE-CG 4.04Å; M103-R159 HydrophobicContact SD-CG 4.33Å
104E94.1Very high95.7Very high98 Ų9851.1 Ų51.146%0.45824%0.243SC..SBendtrans-71.1-32.1-168.2-70.788.9132.700113.2F102 L152 N153 A154F102-E104 HydrophobicContact CE1-CG 4.14Å; E104-L152 PolarHBondContact N-O 3.01Å; E104-L152 VanDerWaalsContact N-O 3.16Å; E104-N153 WeakPolarHBondContact OE2-CA 3.16Å; E104-N153 WeakPolarHBondContact OE2-CB 3.21Å; E104-A154 PolarHBondContact OE1-N 3.46Å; E104-A154 VanDerWaalsContact OE1-N 3.14Å
105T95.6Very high95.9Very high35 Ų3552.6 Ų52.622%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-148.9173.6-179.2-167.10000111M103 L152M103-T105 PolarHBondContact O-N 2.98Å; T105-L152 HydrophobicContact CG2-CB 3.89Å; T105-L152 PolarHBondContact N-O 3.34Å; T105-L152 PolarHBondContact O-N 2.72Å; T105-L152 VanDerWaalsContact O-O 3.09Å
106D96.6Very high96.1Very high43 Ų4351.9 Ų51.923%0.2325%0.245CC..EExtended strand (participates in β ladder)trans-114.8164.1164.860.879.4000110.1C108 R109 L110 I150 L151D106-C108 VanDerWaalsContact C-N 3.28Å; D106-C108 PolarHBondContact O-N 2.85Å; D106-C108 WeakPolarHBondContact OD1-CA 3.41Å; D106-C108 WeakPolarHBondContact OD1-CB 3.39Å; D106-C108 PolarHBondContact OD1-N 3.48Å; D106-R109 PolarHBondContact O-N 3.13Å; D106-R109 PolarHBondContact OD1-N 2.83Å; D106-L110 PolarHBondContact O-N 3.13Å; D106-I150 CarbonylContact C-O 3.49Å; D106-I150 VanDerWaalsContact CA-O 3.27Å; D106-I150 WeakPolarHBondContact CA-O 3.24Å; D106-L151 HydrophobicContact CB-CD2 4.17Å
107L98.1Very high96.2Very high0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-64.5-31.3-179.5-175.664.6000111.9R109 L110 L111 L116 F124 P147 I150 L152 I212 M216L107-R109 PolarHBondContact O-N 3.15Å; L107-L110 HydrophobicContact CD1-CD2 4.23Å; L107-L110 PolarHBondContact O-N 2.83Å; L107-L111 HydrophobicContact CD1-CD1 4.2Å; L107-L111 HydrophobicContact CD1-CD2 4.35Å; L107-L111 HydrophobicContact CD1-CG 4Å; L107-L111 HydrophobicContact CD2-CD1 4.41Å; L107-L111 HydrophobicContact CG-CD1 3.86Å; L107-L111 HydrophobicContact CG-CG 4.11Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 VanDerWaalsContact O-CG 3.23Å; L107-L111 WeakPolarHBondContact O-CG 3.15Å; L107-L111 PolarHBondContact O-N 3.21Å; L107-L116 HydrophobicContact CD1-CD1 4.28Å; L107-F124 HydrophobicContact CD1-CD2 4.33Å; L107-P147 HydrophobicContact CB-CB 4.06Å; L107-P147 WeakPolarHBondContact CB-O 3.39Å; L107-P147 HydrophobicContact CD2-CB 4.24Å; L107-P147 HydrophobicContact CG-CB 4.1Å; L107-P147 PolarHBondContact N-O 3.04Å; L107-I150 HydrophobicContact CB-CB 3.95Å; L107-I150 HydrophobicContact CB-CG2 4.07Å; L107-I150 HydrophobicContact CD2-CB 4.35Å; L107-I150 HydrophobicContact CD2-CG2 4.19Å; L107-I150 PolarHBondContact N-O 3.25Å; L107-L152 HydrophobicContact CB-CD1 4.17Å; L107-L152 HydrophobicContact CD1-CD1 4.04Å; L107-I212 HydrophobicContact CD2-CG2 3.51Å; L107-M216 HydrophobicContact CD1-CG 4.32Å; L107-M216 HydrophobicContact CD1-SD 4.23Å; L107-M216 HydrophobicContact CD2-CG 4.09Å; L107-M216 HydrophobicContact CD2-SD 3.97Å
108C96.3Very high96.3Very high21 Ų2157 Ų5714%0.14228%0.278CS..Hα-helixtrans-62.8-42.9175.8176.40000111.6D106 K112 P147 C148D106-C108 VanDerWaalsContact C-N 3.28Å; D106-C108 PolarHBondContact O-N 2.85Å; D106-C108 WeakPolarHBondContact OD1-CA 3.41Å; D106-C108 WeakPolarHBondContact OD1-CB 3.39Å; D106-C108 PolarHBondContact OD1-N 3.48Å; C108-K112 WeakPolarHBondContact O-CG 3.37Å; C108-K112 PolarHBondContact O-N 3.02Å; C108-P147 HydrophobicContact CB-CB 3.88Å; C108-P147 PolarHBondContact N-O 3.34Å; C108-C148 HydrophobicContact CB-CB 4.21Å; C108-C148 WeakPolarHBondContact CB-SG 3.23Å; C108-C148 PolarHBondContact SG-SG 2.79Å
109R96Very high96.4Very high158 Ų15861.6 Ų61.660%0.59630%0.302SS*.Hα-helixtrans-69.2-38.6175.6-173.5175.4-174.1176.5-0.1111.8D106 L107 K112 T113D106-R109 PolarHBondContact O-N 3.13Å; D106-R109 PolarHBondContact OD1-N 2.83Å; L107-R109 PolarHBondContact O-N 3.15Å; R109-K112 PolarHBondContact O-N 3.49Å; R109-T113 PolarHBondContact O-OG1 3.03Å
110L97.5Very high96.5Very high34 Ų3465.3 Ų65.318%0.17832%0.319CS..Hα-helixtrans-61.3-49.7176.2-172.664.8000111.2D106 L107 K112 T113 Q114 L116 F124 L152D106-L110 PolarHBondContact O-N 3.13Å; L107-L110 HydrophobicContact CD1-CD2 4.23Å; L107-L110 PolarHBondContact O-N 2.83Å; L110-K112 PolarHBondContact O-N 3.49Å; L110-K112 VanDerWaalsContact O-N 3.16Å; L110-T113 PolarHBondContact O-N 3.41Å; L110-T113 PolarHBondContact O-OG1 3.33Å; L110-Q114 HydrophobicContact CD1-CB 3.92Å; L110-Q114 HydrophobicContact CD1-CG 3.65Å; L110-Q114 HydrophobicContact CG-CB 4.36Å; L110-Q114 PolarHBondContact O-N 2.94Å; L110-L116 HydrophobicContact CD2-CD2 3.77Å; L110-L116 HydrophobicContact CG-CD2 4.15Å; L110-F124 HydrophobicContact CD2-CE2 3.9Å; L110-F124 HydrophobicContact CD2-CZ 4.15Å; L110-L152 HydrophobicContact CB-CD1 4.42Å; L110-L152 HydrophobicContact CD2-CD1 3.54Å
111L97.9Very high96.7Very high8 Ų865 Ų654%0.04232%0.318CS..Hα-helixtrans-65.9-17.9-177.7-67.5176.1000114.2L107 L116 P147 E215 M216 N219L107-L111 HydrophobicContact CD1-CD1 4.2Å; L107-L111 HydrophobicContact CD1-CD2 4.35Å; L107-L111 HydrophobicContact CD1-CG 4Å; L107-L111 HydrophobicContact CD2-CD1 4.41Å; L107-L111 HydrophobicContact CG-CD1 3.86Å; L107-L111 HydrophobicContact CG-CG 4.11Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 VanDerWaalsContact O-CG 3.23Å; L107-L111 WeakPolarHBondContact O-CG 3.15Å; L107-L111 PolarHBondContact O-N 3.21Å; L111-L116 HydrophobicContact CD2-CD1 3.7Å; L111-L116 HydrophobicContact CD2-CG 4.07Å; L111-P147 HydrophobicContact CD1-CB 4.42Å; L111-P147 HydrophobicContact CD1-CG 4.46Å; L111-E215 HydrophobicContact CD1-CB 4.34Å; L111-E215 HydrophobicContact CD1-CG 3.88Å; L111-M216 HydrophobicContact CD1-CG 4.27Å; L111-M216 HydrophobicContact CD2-CG 4.27Å; L111-N219 PolarHBondContact O-ND2 2.9Å
112K97Very high96.9Very high166 Ų16664.3 Ų64.372%0.72231%0.313SS*.THydrogen-bonded Turntrans-76.2-21.9172-74.1169.8-175.7169.10113.7C108 R109 L110C108-K112 WeakPolarHBondContact O-CG 3.37Å; C108-K112 PolarHBondContact O-N 3.02Å; R109-K112 PolarHBondContact O-N 3.49Å; L110-K112 PolarHBondContact O-N 3.49Å; L110-K112 VanDerWaalsContact O-N 3.16Å
113T95.4Very high97Very high97 Ų9765.3 Ų65.360%0.59532%0.317SS*.THydrogen-bonded Turntrans-123.8-23.7-16858.70000113.9R109 L110R109-T113 PolarHBondContact O-OG1 3.03Å; L110-T113 PolarHBondContact O-N 3.41Å; L110-T113 PolarHBondContact O-OG1 3.33Å
114Q96.2Very high97.1Very high110 Ų11064.6 Ų64.651%0.51431%0.313SS..  trans-126140.1-174.1-58.8-58.4-27.700111.4L110 N219L110-Q114 HydrophobicContact CD1-CB 3.92Å; L110-Q114 HydrophobicContact CD1-CG 3.65Å; L110-Q114 HydrophobicContact CG-CB 4.36Å; L110-Q114 PolarHBondContact O-N 2.94Å; Q114-N219 PolarHBondContact O-ND2 2.89Å
115K96.6Very high97.4Very high187 Ų18760 Ų6081%0.81329%0.291SS*.PPolyproline II helixtrans-87.8129162.7-71.4-173.6175.3-175.90108.3
116L97.5Very high97.5Very high27 Ų2759 Ų5914%0.14128%0.284CS..PPolyproline II helixtrans-84.3140.7-179.7-57.5-176.9000110.4L107 L110 L111 H120 I121 F124 M216L107-L116 HydrophobicContact CD1-CD1 4.28Å; L110-L116 HydrophobicContact CD2-CD2 3.77Å; L110-L116 HydrophobicContact CG-CD2 4.15Å; L111-L116 HydrophobicContact CD2-CD1 3.7Å; L111-L116 HydrophobicContact CD2-CG 4.07Å; L116-H120 HydrophobicContact CB-CB 4.26Å; L116-H120 HydrophobicContact CD2-CB 4.49Å; L116-I121 HydrophobicContact CB-CD1 4.15Å; L116-I121 HydrophobicContact CB-CG1 3.64Å; L116-I121 HydrophobicContact CD1-CG1 4.21Å; L116-F124 HydrophobicContact CD1-CD2 3.98Å; L116-F124 HydrophobicContact CD1-CE2 4.03Å; L116-F124 HydrophobicContact CD2-CE2 4.11Å; L116-M216 HydrophobicContact CD1-CB 4.1Å; L116-M216 HydrophobicContact CD1-CG 3.97Å; L116-M216 HydrophobicContact CD1-SD 4.12Å
117S97.2Very high97.6Very high52 Ų5257.3 Ų57.336%0.36427%0.274SS..PPolyproline II helixtrans-73.7160.8166.564.60000110.1D119 H120 I121S117-D119 PolarHBondContact O-N 3.44Å; S117-H120 PolarHBondContact O-N 2.78Å; S117-H120 VanDerWaalsContact O-N 3.15Å; S117-H120 PolarHBondContact OG-N 3.33Å; S117-H120 PolarHBondContact OG-ND1 3.11Å; S117-I121 WeakPolarHBondContact O-CG1 2.97Å; S117-I121 PolarHBondContact O-N 2.77Å
118N97.1Very high97.7Very high70 Ų7057.3 Ų57.337%0.37428%0.275SS..Hα-helixtrans-52.4-42.2174.9-177.978000112.1H120 I121 C122 Y307N118-H120 PolarHBondContact O-N 3.37Å; N118-I121 PolarHBondContact O-N 2.81Å; N118-C122 WeakPolarHBondContact O-CB 3.35Å; N118-C122 PolarHBondContact O-N 3.16Å; N118-Y307 PolarHBondContact OD1-OH 2.88Å
119D97.8Very high97.8Very high96 Ų9656.3 Ų56.351%0.51327%0.268SS..Hα-helixtrans-64-42.2-179.5-54-24.9000112.1S117 I121 C122 Y123S117-D119 PolarHBondContact O-N 3.44Å; D119-I121 PolarHBondContact O-N 2.99Å; D119-C122 PolarHBondContact O-N 3.41Å; D119-Y123 WeakPolarHBondContact O-CB 3.42Å; D119-Y123 PolarHBondContact O-N 3.3Å
120H98.2Very high97.9Very high78 Ų7849.3 Ų49.336%0.36124%0.241SC..Hα-helixtrans-62.8-42.6173.8-73.8113.5000111.7L116 S117 N118 Y123 F124L116-H120 HydrophobicContact CB-CB 4.26Å; L116-H120 HydrophobicContact CD2-CB 4.49Å; S117-H120 PolarHBondContact O-N 2.78Å; S117-H120 VanDerWaalsContact O-N 3.15Å; S117-H120 PolarHBondContact OG-N 3.33Å; S117-H120 PolarHBondContact OG-ND1 3.11Å; N118-H120 PolarHBondContact O-N 3.37Å; H120-Y123 PolarHBondContact O-N 3.03Å; H120-F124 HydrophobicContact CB-CD2 4.44Å; H120-F124 HydrophobicContact CB-CE2 4.1Å; H120-F124 WeakPolarHBondContact O-CB 3.31Å; H120-F124 WeakPolarHBondContact O-CD2 3.37Å; H120-F124 VanDerWaalsContact O-CG 3.23Å; H120-F124 WeakPolarHBondContact O-CG 3.13Å; H120-F124 PolarHBondContact O-N 3.28Å
121I98.5Very high98Very high8 Ų847.7 Ų47.74%0.04123%0.233CC..Hα-helixtrans-62.6-46.4178.4-62.2178000110.3L116 S117 N118 D119 L125 M216 L217L116-I121 HydrophobicContact CB-CD1 4.15Å; L116-I121 HydrophobicContact CB-CG1 3.64Å; L116-I121 HydrophobicContact CD1-CG1 4.21Å; S117-I121 WeakPolarHBondContact O-CG1 2.97Å; S117-I121 PolarHBondContact O-N 2.77Å; N118-I121 PolarHBondContact O-N 2.81Å; D119-I121 PolarHBondContact O-N 2.99Å; I121-L125 WeakPolarHBondContact O-CB 3.34Å; I121-L125 PolarHBondContact O-N 3.22Å; I121-M216 HydrophobicContact CD1-CB 4.35Å; I121-M216 WeakPolarHBondContact CD1-O 3.02Å; I121-M216 HydrophobicContact CG1-CB 4.1Å; I121-M216 HydrophobicContact CG2-CB 4.16Å; I121-M216 HydrophobicContact CG2-CE 4.07Å; I121-L217 HydrophobicContact CD1-CD2 3.88Å; I121-L217 HydrophobicContact CD1-CG 4.47Å; I121-L217 HydrophobicContact CG2-CD2 4.37Å
122C98.6Very high98Very high1 Ų147.3 Ų47.31%0.00723%0.231CC..Hα-helixtrans-59.6-47.8177.1-175.10000111N118 D119 L125 Y126 Y307 Q310 Y311N118-C122 WeakPolarHBondContact O-CB 3.35Å; N118-C122 PolarHBondContact O-N 3.16Å; D119-C122 PolarHBondContact O-N 3.41Å; C122-L125 PolarHBondContact O-N 2.86Å; C122-Y126 WeakPolarHBondContact O-CB 3.2Å; C122-Y126 PolarHBondContact O-N 3.41Å; C122-Y307 HydrophobicContact CB-CE1 4.1Å; C122-Y307 PolarHBondContact SG-O 2.89Å; C122-Q310 PolarHBondContact SG-NE2 3.47Å; C122-Y311 HydrophobicContact CB-CE2 4.22Å
123Y98.7Very high98.1Very high66 Ų6640.3 Ų40.326%0.25920%0.201SC..Hα-helixtrans-67.5-43.4-178.4-172-133.8000113.3D119 H120 L125 Y126 Q127 C156 Y311D119-Y123 WeakPolarHBondContact O-CB 3.42Å; D119-Y123 PolarHBondContact O-N 3.3Å; H120-Y123 PolarHBondContact O-N 3.03Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; Y123-Y126 HydrophobicContact CD2-CD1 4.44Å; Y123-Y126 PolarHBondContact O-N 3.48Å; Y123-Q127 HydrophobicContact CD2-CG 4.39Å; Y123-Q127 HydrophobicContact CE2-CG 4.08Å; Y123-Q127 VanDerWaalsContact CZ-NE2 3.32Å; Y123-Q127 WeakPolarHBondContact O-CG 3.43Å; Y123-Q127 PolarHBondContact O-N 2.8Å; Y123-C156 HydrophobicContact CD1-CB 4.33Å; Y123-C156 HydrophobicContact CE1-CB 4.27Å; Y123-Y311 HydrophobicContact CD2-CD1 4.12Å; Y123-Y311 HydrophobicContact CD2-CD2 4.45Å; Y123-Y311 AromaticContact CD2-CE1 3.7Å; Y123-Y311 HydrophobicContact CD2-CE1 3.7Å; Y123-Y311 HydrophobicContact CD2-CE2 4.05Å; Y123-Y311 HydrophobicContact CD2-CG 4.5Å; Y123-Y311 AromaticContact CD2-CZ 3.68Å; Y123-Y311 HydrophobicContact CE2-CE1 4.25Å; Y123-Y311 HydrophobicContact CG-CE1 4.49Å; Y123-Y311 HydrophobicContact CG-CE2 4.44Å
124F98.8Very high98.3Very high2 Ų236.8 Ų36.81%0.00918%0.176CC..Hα-helixtrans-64.9-39.7174.6-65.3-32.4000111.7L107 L110 L116 H120 Q127 M128 L152 C156 L158 M216L107-F124 HydrophobicContact CD1-CD2 4.33Å; L110-F124 HydrophobicContact CD2-CE2 3.9Å; L110-F124 HydrophobicContact CD2-CZ 4.15Å; L116-F124 HydrophobicContact CD1-CD2 3.98Å; L116-F124 HydrophobicContact CD1-CE2 4.03Å; L116-F124 HydrophobicContact CD2-CE2 4.11Å; H120-F124 HydrophobicContact CB-CD2 4.44Å; H120-F124 HydrophobicContact CB-CE2 4.1Å; H120-F124 WeakPolarHBondContact O-CB 3.31Å; H120-F124 WeakPolarHBondContact O-CD2 3.37Å; H120-F124 VanDerWaalsContact O-CG 3.23Å; H120-F124 WeakPolarHBondContact O-CG 3.13Å; H120-F124 PolarHBondContact O-N 3.28Å; F124-Q127 PolarHBondContact O-N 3Å; F124-M128 WeakPolarHBondContact O-CG 3.37Å; F124-M128 PolarHBondContact O-N 3.39Å; F124-L152 HydrophobicContact CD1-CD2 3.79Å; F124-L152 HydrophobicContact CE1-CD1 4.33Å; F124-L152 HydrophobicContact CE1-CD2 3.54Å; F124-L152 HydrophobicContact CE2-CD1 4.39Å; F124-L152 HydrophobicContact CZ-CD1 4.07Å; F124-L152 HydrophobicContact CZ-CD2 4.12Å; F124-C156 HydrophobicContact CE1-CB 3.67Å; F124-C156 HydrophobicContact CZ-CB 4.1Å; F124-L158 HydrophobicContact CB-CD1 4.01Å; F124-L158 HydrophobicContact CD1-CD1 4.2Å; F124-L158 HydrophobicContact CG-CD1 4.41Å; F124-M216 HydrophobicContact CB-CE 4.49Å; F124-M216 HydrophobicContact CB-SD 3.93Å; F124-M216 HydrophobicContact CD2-SD 4.17Å
125L98.9Very high98.4Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-63.1-45.2176.4-176.760.9000111.8I121 C122 Y123 M128 L129 I209 M213 M216 L284 Y307 L308I121-L125 WeakPolarHBondContact O-CB 3.34Å; I121-L125 PolarHBondContact O-N 3.22Å; C122-L125 PolarHBondContact O-N 2.86Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; L125-M128 HydrophobicContact CD1-CE 4.08Å; L125-M128 PolarHBondContact O-N 3.23Å; L125-L129 HydrophobicContact CD1-CD1 4.03Å; L125-L129 HydrophobicContact CD1-CG 4.31Å; L125-L129 HydrophobicContact CG-CD1 3.93Å; L125-L129 WeakPolarHBondContact O-CG 3.19Å; L125-L129 PolarHBondContact O-N 3.1Å; L125-I209 HydrophobicContact CD1-CG2 3.43Å; L125-I209 VanDerWaalsContact CD1-CG2 3.43Å; L125-M213 HydrophobicContact CD1-CB 4.37Å; L125-M213 HydrophobicContact CD2-CE 3.92Å; L125-M213 HydrophobicContact CD2-CG 4.15Å; L125-M213 HydrophobicContact CD2-SD 3.53Å; L125-M213 VanDerWaalsContact CD2-SD 3.53Å; L125-M216 HydrophobicContact CB-CE 4.33Å; L125-L284 HydrophobicContact CD2-CD2 3.61Å; L125-Y307 HydrophobicContact CD2-CD1 3.99Å; L125-Y307 HydrophobicContact CD2-CE1 3.86Å; L125-L308 HydrophobicContact CB-CD2 4.41Å; L125-L308 HydrophobicContact CD2-CD2 4.26Å; L125-L308 HydrophobicContact CG-CD2 4.37Å
126Y98.9Very high98.4Very high16 Ų1622.7 Ų22.76%0.06311%0.114CC..Hα-helixtrans-55.3-52.9174.2168.4-102.8000111.4C122 Y123 M128 L129 R130 L303 Y311C122-Y126 WeakPolarHBondContact O-CB 3.2Å; C122-Y126 PolarHBondContact O-N 3.41Å; Y123-Y126 HydrophobicContact CD2-CD1 4.44Å; Y123-Y126 PolarHBondContact O-N 3.48Å; Y126-M128 VanDerWaalsContact C-N 3.34Å; Y126-M128 PolarHBondContact O-N 2.85Å; Y126-L129 PolarHBondContact O-N 3.04Å; Y126-L129 VanDerWaalsContact O-N 3.16Å; Y126-R130 WeakPolarHBondContact O-CB 3.23Å; Y126-R130 PolarHBondContact O-N 3.49Å; Y126-L303 HydrophobicContact CD2-CD2 3.79Å; Y126-L303 HydrophobicContact CE2-CD2 3.98Å; Y126-Y311 HydrophobicContact CD1-CG 4.16Å; Y126-Y311 VanDerWaalsContact CD2-CB 3.47Å; Y126-Y311 HydrophobicContact CD2-CG 4.47Å; Y126-Y311 WeakPolarHBondContact CE2-O 3.18Å; Y126-Y311 VanDerWaalsContact CG-CB 3.5Å; Y126-Y311 HydrophobicContact CG-CD2 4.24Å; Y126-Y311 HydrophobicContact CG-CG 4.05Å; Y126-Y311 VanDerWaalsContact CZ-O 3.29Å; Y126-Y311 PolarHBondContact OH-O 3.35Å
127Q98.9Very high98.4Very high6 Ų622.5 Ų22.53%0.02811%0.114CC..Hα-helixtrans-63-37.3-179-71.8-176.380.600113N77 Y123 F124 G131 C156 L158N77-Q127 WeakPolarHBondContact CB-O 3.4Å; N77-Q127 WeakPolarHBondContact ND2-CB 3.27Å; N77-Q127 PolarHBondContact ND2-OE1 3.2Å; N77-Q127 VanDerWaalsContact ND2-OE1 3.09Å; Y123-Q127 HydrophobicContact CD2-CG 4.39Å; Y123-Q127 HydrophobicContact CE2-CG 4.08Å; Y123-Q127 VanDerWaalsContact CZ-NE2 3.32Å; Y123-Q127 WeakPolarHBondContact O-CG 3.43Å; Y123-Q127 PolarHBondContact O-N 2.8Å; F124-Q127 PolarHBondContact O-N 3Å; Q127-G131 PolarHBondContact O-N 3.39Å; Q127-C156 PolarHBondContact NE2-O 2.66Å; Q127-L158 HydrophobicContact CB-CB 3.85Å; Q127-L158 HydrophobicContact CB-CD1 4.31Å; Q127-L158 HydrophobicContact CB-CD2 4.29Å; Q127-L158 HydrophobicContact CB-CG 4.39Å; Q127-L158 HydrophobicContact CG-CB 4.47Å
128M98.9Very high98.3Very high1 Ų120 Ų201%0.00510%0.097CC..Hα-helixtrans-62.7-45.7173.5-74.6-171.8-66.700111.7F124 L125 Y126 L132 I150 L158 I209 I212 M216F124-M128 WeakPolarHBondContact O-CG 3.37Å; F124-M128 PolarHBondContact O-N 3.39Å; L125-M128 HydrophobicContact CD1-CE 4.08Å; L125-M128 PolarHBondContact O-N 3.23Å; Y126-M128 VanDerWaalsContact C-N 3.34Å; Y126-M128 PolarHBondContact O-N 2.85Å; M128-L132 VanDerWaalsContact O-CB 3.29Å; M128-L132 WeakPolarHBondContact O-CB 3.42Å; M128-L132 PolarHBondContact O-N 2.86Å; M128-I150 HydrophobicContact CG-CD1 4.1Å; M128-I150 HydrophobicContact CG-CG2 4.34Å; M128-I150 HydrophobicContact SD-CD1 3.92Å; M128-I150 HydrophobicContact SD-CG1 3.97Å; M128-I150 HydrophobicContact SD-CG2 4.27Å; M128-L158 HydrophobicContact CG-CD1 3.61Å; M128-L158 HydrophobicContact CG-CD2 3.87Å; M128-L158 HydrophobicContact CG-CG 4.42Å; M128-I209 HydrophobicContact CB-CD1 4.13Å; M128-I212 HydrophobicContact CE-CG2 3.83Å; M128-I212 HydrophobicContact SD-CD1 4.23Å; M128-I212 HydrophobicContact SD-CG2 3.83Å; M128-M216 HydrophobicContact CE-CE 3.56Å; M128-M216 HydrophobicContact CE-SD 4.39Å
129L98.9Very high98.2Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-70-38.7-180-70.6166.5000111.7L125 Y126 L132 K133 I209 V299 A302 L303 L308L125-L129 HydrophobicContact CD1-CD1 4.03Å; L125-L129 HydrophobicContact CD1-CG 4.31Å; L125-L129 HydrophobicContact CG-CD1 3.93Å; L125-L129 WeakPolarHBondContact O-CG 3.19Å; L125-L129 PolarHBondContact O-N 3.1Å; Y126-L129 PolarHBondContact O-N 3.04Å; Y126-L129 VanDerWaalsContact O-N 3.16Å; L129-L132 CarbonylContact O-C 3.57Å; L129-L132 PolarHBondContact O-N 2.85Å; L129-K133 WeakPolarHBondContact O-CB 3.44Å; L129-K133 PolarHBondContact O-N 3.29Å; L129-I209 HydrophobicContact CD2-CD1 3.84Å; L129-I209 HydrophobicContact CD2-CG2 4.18Å; L129-I209 HydrophobicContact CG-CD1 4.37Å; L129-I209 HydrophobicContact CG-CG2 4.46Å; L129-V299 HydrophobicContact CB-CG2 4.28Å; L129-V299 HydrophobicContact CD2-CG2 4.05Å; L129-V299 WeakPolarHBondContact O-CG2 3.45Å; L129-A302 HydrophobicContact CD1-CB 3.89Å; L129-A302 HydrophobicContact CD2-CB 3.96Å; L129-L303 HydrophobicContact CB-CD2 3.73Å; L129-L303 HydrophobicContact CB-CG 3.88Å; L129-L308 HydrophobicContact CD1-CD1 3.53Å
130R98.9Very high98Very high11 Ų1114.4 Ų14.44%0.0427%0.067CC..Hα-helixtrans-60.1-48.4174.2-174.6179.3176.8-10810.8111.1E76 N77 Y126 L132 K133 Y134 L303 D316 E317E76-R130 IonicContact OE2-CZ 3.09Å; E76-R130 IonicContact OE2-NH1 3.7Å; E76-R130 PolarHBondContact OE2-NH1 2.79Å; E76-R130 IonicContact OE2-NH2 2.71Å; E76-R130 PolarHBondContact OE2-NH2 2.88Å; E76-R130 VanDerWaalsContact OE2-NH2 3.13Å; N77-R130 WeakPolarHBondContact OD1-CD 3.39Å; N77-R130 PolarHBondContact OD1-NH1 3.29Å; Y126-R130 WeakPolarHBondContact O-CB 3.23Å; Y126-R130 PolarHBondContact O-N 3.49Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.35Å; R130-K133 WeakPolarHBondContact O-CB 3.34Å; R130-K133 PolarHBondContact O-N 3.26Å; R130-Y134 PolarHBondContact O-N 3.32Å; R130-L303 HydrophobicContact CB-CD2 4.49Å; R130-D316 PolarHBondContact NE-O 2.7Å; R130-D316 PolarHBondContact NH2-O 2.88Å; R130-D316 IonicContact NH2-OD1 2.67Å; R130-D316 PolarHBondContact NH2-OD1 3.39Å; R130-D316 VanDerWaalsContact NH2-OD1 3.13Å; R130-D316 IonicContact NH2-OD2 3.74Å; R130-E317 HydrophobicContact CG-CG 4.16Å
131G98.8Very high97.8Very high0 Ų010.7 Ų10.70%05%0.05CC..Hα-helixtrans-60-42.5172.300000112.7Q127 K133 Y134 I135Q127-G131 PolarHBondContact O-N 3.39Å; G131-K133 PolarHBondContact O-N 2.9Å; G131-Y134 PolarHBondContact O-N 2.97Å; G131-I135 WeakPolarHBondContact O-CG1 3.33Å; G131-I135 PolarHBondContact O-N 2.88Å; G131-I135 VanDerWaalsContact O-N 3.08Å
132L98.8Very high97.6Very high0 Ų010.3 Ų10.30%05%0.048CC..Hα-helixtrans-67-34.8179.3-169.763.3000112.7M128 L129 R130 Y134 I135 H136 L145 D205 I206 I209 V299M128-L132 VanDerWaalsContact O-CB 3.29Å; M128-L132 WeakPolarHBondContact O-CB 3.42Å; M128-L132 PolarHBondContact O-N 2.86Å; L129-L132 CarbonylContact O-C 3.57Å; L129-L132 PolarHBondContact O-N 2.85Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.35Å; L132-Y134 VanDerWaalsContact C-N 3.3Å; L132-Y134 PolarHBondContact O-N 3.43Å; L132-I135 HydrophobicContact CD1-CB 4.34Å; L132-I135 HydrophobicContact CD1-CD1 4.37Å; L132-I135 HydrophobicContact CD1-CG2 4.47Å; L132-I135 PolarHBondContact O-N 3.42Å; L132-H136 VanDerWaalsContact CD1-NE2 3.35Å; L132-H136 WeakPolarHBondContact CD1-NE2 3.44Å; L132-H136 VanDerWaalsContact O-CB 3.32Å; L132-H136 WeakPolarHBondContact O-CB 3.32Å; L132-H136 PolarHBondContact O-N 2.94Å; L132-L145 HydrophobicContact CD1-CD1 4.05Å; L132-L145 HydrophobicContact CD2-CD1 4.35Å; L132-D205 HydrophobicContact CD1-CB 3.9Å; L132-D205 HydrophobicContact CD2-CB 3.87Å; L132-I206 HydrophobicContact CD2-CD1 3.85Å; L132-I209 HydrophobicContact CB-CD1 4.15Å; L132-I209 HydrophobicContact CD2-CD1 3.44Å; L132-I209 VanDerWaalsContact CD2-CD1 3.44Å; L132-I209 HydrophobicContact CD2-CG1 4.38Å; L132-I209 HydrophobicContact CG-CD1 4.38Å; L132-V299 HydrophobicContact CB-CG2 4.08Å; L132-V299 HydrophobicContact CD2-CG2 4.44Å; L132-V299 HydrophobicContact CG-CG2 4.33Å
133K98.7Very high97.3Very high19 Ų1912.1 Ų12.18%0.0835%0.054CC..Hα-helixtrans-57.9-45.1173.7-177.7-169.8-174.7-178.20110.7L129 R130 G131 H136 S137 V299 L303 E317 V319L129-K133 WeakPolarHBondContact O-CB 3.44Å; L129-K133 PolarHBondContact O-N 3.29Å; R130-K133 WeakPolarHBondContact O-CB 3.34Å; R130-K133 PolarHBondContact O-N 3.26Å; G131-K133 PolarHBondContact O-N 2.9Å; K133-H136 PolarHBondContact O-N 3.03Å; K133-S137 WeakPolarHBondContact O-CB 3.38Å; K133-S137 PolarHBondContact O-N 3.42Å; K133-S137 PolarHBondContact O-OG 2.9Å; K133-V299 HydrophobicContact CB-CG1 4.21Å; K133-V299 HydrophobicContact CB-CG2 4.01Å; K133-L303 HydrophobicContact CB-CD1 3.99Å; K133-L303 HydrophobicContact CD-CD1 3.72Å; K133-L303 HydrophobicContact CG-CD1 4.32Å; K133-E317 HydrophobicContact CD-CB 3.96Å; K133-E317 WeakPolarHBondContact CE-O 3.22Å; K133-E317 PolarHBondContact NZ-O 2.59Å; K133-E317 IonicContact NZ-OE2 3.33Å; K133-E317 PolarHBondContact NZ-OE2 2.94Å; K133-V319 HydrophobicContact CG-CG1 4.39Å
134Y98.6Very high97.1Very high22 Ų229.7 Ų9.79%0.0865%0.046CC..Hα-helixtrans-63.8-43.8175.6-169.6-90.8000112.1M73 D74 H75 I78 R130 G131 L132 S137 A138 F320M73-Y134 HydrophobicContact CB-CE1 3.92Å; M73-Y134 HydrophobicContact CG-CE1 3.97Å; D74-Y134 PolarHBondContact N-OH 3.28Å; D74-Y134 PolarHBondContact O-OH 3.1Å; H75-Y134 HydrophobicContact CB-CD1 3.81Å; H75-Y134 HydrophobicContact CB-CD2 4.27Å; H75-Y134 HydrophobicContact CB-CE1 3.99Å; H75-Y134 HydrophobicContact CB-CE2 4.46Å; H75-Y134 HydrophobicContact CB-CG 3.92Å; H75-Y134 AromaticContact CD2-CD2 3.58Å; H75-Y134 AromaticContact CD2-CG 3.61Å; H75-Y134 AromaticContact CG-CG 3.88Å; I78-Y134 HydrophobicContact CD1-CD1 3.56Å; I78-Y134 HydrophobicContact CD1-CE1 4.26Å; I78-Y134 HydrophobicContact CD1-CG 4.39Å; R130-Y134 PolarHBondContact O-N 3.32Å; G131-Y134 PolarHBondContact O-N 2.97Å; L132-Y134 VanDerWaalsContact C-N 3.3Å; L132-Y134 PolarHBondContact O-N 3.43Å; Y134-S137 WeakPolarHBondContact CA-OG 3.5Å; Y134-S137 PolarHBondContact O-OG 2.89Å; Y134-A138 PolarHBondContact O-N 3.02Å; Y134-A138 VanDerWaalsContact O-N 3.15Å; Y134-F320 HydrophobicContact CD1-CD2 4.37Å; Y134-F320 HydrophobicContact CE1-CB 4.48Å; Y134-F320 AromaticContact CE1-CD2 3.52Å; Y134-F320 HydrophobicContact CE1-CD2 3.52Å; Y134-F320 HydrophobicContact CE1-CE2 4.26Å; Y134-F320 HydrophobicContact CE1-CG 4.49Å; Y134-F320 HydrophobicContact CE2-CB 4.38Å; Y134-F320 HydrophobicContact CE2-CD2 4.3Å; Y134-F320 AromaticContact CZ-CD2 3.48Å; Y134-F320 VanDerWaalsContact CZ-CD2 3.48Å; Y134-F320 WeakPolarHBondContact OH-CD2 3.48Å
135I98.3Very high97Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-61.9-46.6176.3-64.4166.8000111.1M73 I78 G131 L132 A138 V140 I160 F163M73-I135 HydrophobicContact CE-CG1 4.38Å; M73-I135 HydrophobicContact SD-CG1 4.44Å; I78-I135 HydrophobicContact CD1-CD1 4.14Å; I78-I135 HydrophobicContact CD1-CG1 3.56Å; I78-I135 HydrophobicContact CG1-CD1 4.37Å; I78-I135 HydrophobicContact CG1-CG1 4.32Å; G131-I135 WeakPolarHBondContact O-CG1 3.33Å; G131-I135 PolarHBondContact O-N 2.88Å; G131-I135 VanDerWaalsContact O-N 3.08Å; L132-I135 HydrophobicContact CD1-CB 4.34Å; L132-I135 HydrophobicContact CD1-CD1 4.37Å; L132-I135 HydrophobicContact CD1-CG2 4.47Å; L132-I135 PolarHBondContact O-N 3.42Å; I135-A138 WeakPolarHBondContact O-CB 3.38Å; I135-A138 PolarHBondContact O-N 3.23Å; I135-V140 HydrophobicContact CG2-CB 3.74Å; I135-V140 HydrophobicContact CG2-CG1 3.78Å; I135-V140 WeakPolarHBondContact O-CB 3.39Å; I135-V140 PolarHBondContact O-N 3.3Å; I135-V140 VanDerWaalsContact O-N 3.08Å; I135-I160 HydrophobicContact CD1-CD1 3.9Å; I135-I160 HydrophobicContact CD1-CG2 4.25Å; I135-F163 HydrophobicContact CD1-CE1 3.85Å; I135-F163 HydrophobicContact CD1-CZ 3.59Å; I135-F163 HydrophobicContact CG1-CE1 3.99Å; I135-F163 HydrophobicContact CG1-CZ 4.02Å; I135-F163 HydrophobicContact CG2-CE1 4.29Å
136H97.1Very high96.9Very high2 Ų211 Ų111%0.0095%0.051CC..Hα-helixtrans-71.1-35-177.2-79.7-167.2000112.4L132 K133 A138 N139 V140 K202 D205 V299L132-H136 VanDerWaalsContact CD1-NE2 3.35Å; L132-H136 WeakPolarHBondContact CD1-NE2 3.44Å; L132-H136 VanDerWaalsContact O-CB 3.32Å; L132-H136 WeakPolarHBondContact O-CB 3.32Å; L132-H136 PolarHBondContact O-N 2.94Å; K133-H136 PolarHBondContact O-N 3.03Å; H136-A138 VanDerWaalsContact C-N 3.27Å; H136-A138 PolarHBondContact O-N 3.12Å; H136-N139 WeakPolarHBondContact O-CA 3.06Å; H136-N139 PolarHBondContact O-N 2.98Å; H136-V140 PolarHBondContact CD2-O 3.35Å; H136-V140 VanDerWaalsContact CD2-O 3.25Å; H136-K202 HydrophobicContact CB-CD 3.9Å; H136-K202 HydrophobicContact CB-CG 4.32Å; H136-K202 PolarHBondContact CE1-O 2.81Å; H136-K202 WeakPolarHBondContact O-CE 3.37Å; H136-K202 PolarHBondContact O-NZ 3.36Å; H136-D205 IonicContact CD2-OD2 3.93Å; H136-D205 IonicContact NE2-OD2 2.59Å; H136-D205 PolarHBondContact NE2-OD2 2.9Å; H136-V299 HydrophobicContact CB-CG1 4.34Å
137S97.2Very high96.8Very high22 Ų2210.2 Ų10.215%0.1545%0.048CC..Hα-helixtrans-66.9-28.8172.351.90000112.3K133 Y134 N139 V319 F320K133-S137 WeakPolarHBondContact O-CB 3.38Å; K133-S137 PolarHBondContact O-N 3.42Å; K133-S137 PolarHBondContact O-OG 2.9Å; Y134-S137 WeakPolarHBondContact CA-OG 3.5Å; Y134-S137 PolarHBondContact O-OG 2.89Å; S137-N139 PolarHBondContact O-N 3.16Å; S137-N139 VanDerWaalsContact O-N 3.1Å; S137-V319 WeakPolarHBondContact OG-CA 3.44Å; S137-F320 PolarHBondContact OG-N 2.89Å
138A96.4Very high96.7Very high0 Ų012.6 Ų12.60%07%0.065CC..THydrogen-bonded Turntrans-71.22.9168.900000113.8M73 Y134 I135 H136 V140 F320 F324M73-A138 HydrophobicContact CE-CB 3.69Å; Y134-A138 PolarHBondContact O-N 3.02Å; Y134-A138 VanDerWaalsContact O-N 3.15Å; I135-A138 WeakPolarHBondContact O-CB 3.38Å; I135-A138 PolarHBondContact O-N 3.23Å; H136-A138 VanDerWaalsContact C-N 3.27Å; H136-A138 PolarHBondContact O-N 3.12Å; A138-V140 HydrophobicContact CB-CG2 4.06Å; A138-V140 PolarHBondContact O-N 3.23Å; A138-F320 HydrophobicContact CB-CB 3.56Å; A138-F320 HydrophobicContact CB-CD1 3.94Å; A138-F320 HydrophobicContact CB-CD2 3.96Å; A138-F320 HydrophobicContact CB-CG 3.54Å; A138-F324 HydrophobicContact CB-CD2 4.27Å; A138-F324 HydrophobicContact CB-CE2 4.22Å; A138-F324 PolarHBondContact O-N 2.69Å
139N94.1Very high96.5Very high48 Ų4813 Ų1326%0.2577%0.068SC..THydrogen-bonded Turntrans59.931.6-171.8-161.343.9000113.2H136 S137 I168 A169 P323H136-N139 WeakPolarHBondContact O-CA 3.06Å; H136-N139 PolarHBondContact O-N 2.98Å; S137-N139 PolarHBondContact O-N 3.16Å; S137-N139 VanDerWaalsContact O-N 3.1Å; N139-I168 WeakPolarHBondContact ND2-CG2 3.36Å; N139-I168 CarbonylContact O-C 3.53Å; N139-I168 VanDerWaalsContact O-CA 3.29Å; N139-I168 WeakPolarHBondContact O-CA 3.2Å; N139-I168 WeakPolarHBondContact O-CG2 3.16Å; N139-A169 PolarHBondContact ND2-O 3.37Å; N139-A169 PolarHBondContact O-N 3.02Å; N139-A169 WeakPolarHBondContact OD1-CB 3.35Å; N139-A169 PolarHBondContact OD1-O 3.49Å; N139-P323 HydrophobicContact CB-CB 4Å
140V94.1Very high96.5Very high0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-103.6141.6177.11790000110.4I69 M73 I135 H136 A138 A166 R167 I168 F324I69-V140 HydrophobicContact CD1-CG1 4.15Å; M73-V140 HydrophobicContact CE-CB 4.19Å; M73-V140 HydrophobicContact CE-CG2 3.85Å; I135-V140 HydrophobicContact CG2-CB 3.74Å; I135-V140 HydrophobicContact CG2-CG1 3.78Å; I135-V140 WeakPolarHBondContact O-CB 3.39Å; I135-V140 PolarHBondContact O-N 3.3Å; I135-V140 VanDerWaalsContact O-N 3.08Å; H136-V140 PolarHBondContact CD2-O 3.35Å; H136-V140 VanDerWaalsContact CD2-O 3.25Å; A138-V140 HydrophobicContact CB-CG2 4.06Å; A138-V140 PolarHBondContact O-N 3.23Å; V140-A166 HydrophobicContact CG1-CB 4.02Å; V140-R167 CarbonylContact C-O 3.55Å; V140-R167 WeakPolarHBondContact CA-O 3.34Å; V140-I168 HydrophobicContact CG2-CD1 3.82Å; V140-F324 HydrophobicContact CG2-CD2 3.43Å; V140-F324 VanDerWaalsContact CG2-CD2 3.43Å; V140-F324 HydrophobicContact CG2-CE2 3.84Å
141L93.6Very high96.5Very high0 Ų014.1 Ų14.10%07%0.074CC..EExtended strand (participates in β ladder)trans-105.4129.7165-51.5-178.3000108.1R143 A166 R167 A169 Y200 K202 I204 D205L141-R143 HydrophobicContact CB-CG 3.77Å; L141-A166 CarbonylContact O-C 3.58Å; L141-A166 WeakPolarHBondContact O-CA 3.15Å; L141-A166 VanDerWaalsContact O-CB 3.27Å; L141-A166 WeakPolarHBondContact O-CB 3.38Å; L141-R167 PolarHBondContact N-O 3Å; L141-R167 PolarHBondContact O-N 3.44Å; L141-A169 HydrophobicContact CD1-CB 4.1Å; L141-A169 HydrophobicContact CD2-CB 3.85Å; L141-A169 HydrophobicContact CG-CB 3.8Å; L141-Y200 WeakPolarHBondContact CD1-O 3.49Å; L141-K202 VanDerWaalsContact CD2-CA 3.49Å; L141-K202 HydrophobicContact CD2-CB 4.24Å; L141-K202 HydrophobicContact CD2-CG 3.74Å; L141-I204 HydrophobicContact CD1-CD1 4.3Å; L141-D205 WeakPolarHBondContact CA-OD2 3.18Å
142H94.7Very high96.4Very high0 Ų014.3 Ų14.30%08%0.075CC..  trans-74.3-43.3179.3-172.2-83.7000111.7D144 L145 C161 D162 F163 A166 D205H142-D144 VanDerWaalsContact ND1-C 3.33Å; H142-D144 PolarHBondContact ND1-N 3.18Å; H142-D144 PolarHBondContact O-N 3.49Å; H142-L145 HydrophobicContact CB-CD1 4.43Å; H142-L145 HydrophobicContact CB-CD2 4.18Å; H142-L145 HydrophobicContact CB-CG 3.94Å; H142-L145 PolarHBondContact ND1-N 2.97Å; H142-C161 PolarHBondContact NE2-O 3.02Å; H142-C161 VanDerWaalsContact NE2-O 3.07Å; H142-D162 PolarHBondContact CE1-O 2.96Å; H142-D162 PolarHBondContact NE2-O 3.44Å; H142-F163 AromaticContact CD2-CE1 3.86Å; H142-F163 AromaticContact CD2-CZ 3.87Å; H142-A166 WeakPolarHBondContact O-CA 3.25Å; H142-A166 PolarHBondContact O-N 2.68Å; H142-D205 PolarHBondContact N-OD1 3.41Å; H142-D205 PolarHBondContact N-OD2 3.44Å
143R92.7Very high96.3Very high40 Ų4016.1 Ų16.115%0.1519%0.085CC..  trans67.7-7174.3-48.1-173.451.8177.83.6117.2L141 L165 I204 D205L141-R143 HydrophobicContact CB-CG 3.77Å; R143-L165 WeakPolarHBondContact CD-O 3.34Å; R143-I204 HydrophobicContact CG-CD1 4.02Å; R143-D205 PolarHBondContact N-OD1 3.3Å
144D92.9Very high96Very high15 Ų1519.4 Ų19.48%0.0812%0.116CC..  trans-141.141.1177.1-161.235.5000112.5H142 K146 N149 L165H142-D144 VanDerWaalsContact ND1-C 3.33Å; H142-D144 PolarHBondContact ND1-N 3.18Å; H142-D144 PolarHBondContact O-N 3.49Å; D144-K146 PolarHBondContact O-N 3.33Å; D144-K146 IonicContact OD1-NZ 3.79Å; D144-K146 PolarHBondContact OD1-NZ 2.98Å; D144-K146 IonicContact OD2-NZ 2.8Å; D144-K146 PolarHBondContact OD2-NZ 3.14Å; D144-N149 PolarHBondContact O-ND2 2.9Å; D144-L165 HydrophobicContact CB-CB 4.16Å; D144-L165 HydrophobicContact CB-CD1 3.77Å; D144-L165 HydrophobicContact CB-CG 4.5Å
145L97.3Very high95.9Very high1 Ų121.6 Ų21.61%0.00514%0.138CC..  trans-68.9126172-70.2175.1000109.7L132 H142 I150 I160 Y188 D205 I209 I212L132-L145 HydrophobicContact CD1-CD1 4.05Å; L132-L145 HydrophobicContact CD2-CD1 4.35Å; H142-L145 HydrophobicContact CB-CD1 4.43Å; H142-L145 HydrophobicContact CB-CD2 4.18Å; H142-L145 HydrophobicContact CB-CG 3.94Å; H142-L145 PolarHBondContact ND1-N 2.97Å; L145-I150 HydrophobicContact CD2-CD1 4.34Å; L145-I160 HydrophobicContact CD2-CD1 4.45Å; L145-I160 HydrophobicContact CD2-CG2 3.74Å; L145-Y188 WeakPolarHBondContact O-CB 3.21Å; L145-D205 HydrophobicContact CD1-CB 3.84Å; L145-I209 HydrophobicContact CD1-CD1 4.24Å; L145-I209 HydrophobicContact CD1-CG1 3.91Å; L145-I212 HydrophobicContact CB-CD1 4.29Å
146K97Very high95.9Very high27 Ų2723 Ų2312%0.11715%0.148CC..  trans-161.4159.7179.162.9-165.5179.8-147.40108.8D144 C148 N149 Y188D144-K146 PolarHBondContact O-N 3.33Å; D144-K146 IonicContact OD1-NZ 3.79Å; D144-K146 PolarHBondContact OD1-NZ 2.98Å; D144-K146 IonicContact OD2-NZ 2.8Å; D144-K146 PolarHBondContact OD2-NZ 3.14Å; K146-C148 HydrophobicContact CG-CB 4.34Å; K146-C148 PolarHBondContact O-N 3.06Å; K146-N149 WeakPolarHBondContact CE-ND2 3.39Å; K146-N149 WeakPolarHBondContact CE-OD1 3.33Å; K146-N149 HydrophobicContact CG-CB 4.15Å; K146-N149 PolarHBondContact O-N 2.95Å; K146-Y188 HydrophobicContact CB-CD1 4.46Å; K146-Y188 HydrophobicContact CB-CD2 3.42Å; K146-Y188 VanDerWaalsContact CB-CD2 3.42Å; K146-Y188 HydrophobicContact CB-CE2 3.46Å; K146-Y188 VanDerWaalsContact CB-CE2 3.46Å; K146-Y188 HydrophobicContact CB-CG 3.97Å
147P97.7Very high95.9Very high0 Ų026.1 Ų26.10%017%0.165CC..G310 helixtrans-55.1-31.6-176.8-2736000114.4L107 C108 L111 N149 I150 Y188 I212L107-P147 HydrophobicContact CB-CB 4.06Å; L107-P147 WeakPolarHBondContact CB-O 3.39Å; L107-P147 HydrophobicContact CD2-CB 4.24Å; L107-P147 HydrophobicContact CG-CB 4.1Å; L107-P147 PolarHBondContact N-O 3.04Å; C108-P147 HydrophobicContact CB-CB 3.88Å; C108-P147 PolarHBondContact N-O 3.34Å; L111-P147 HydrophobicContact CD1-CB 4.42Å; L111-P147 HydrophobicContact CD1-CG 4.46Å; P147-N149 PolarHBondContact O-N 3.37Å; P147-I150 PolarHBondContact O-N 3.18Å; P147-Y188 WeakPolarHBondContact CD-OH 3.29Å; P147-Y188 HydrophobicContact CG-CE1 4.02Å; P147-I212 HydrophobicContact CG-CG1 4.21Å; P147-I212 HydrophobicContact CG-CG2 4.42Å
148C95.3Very high96Very high57 Ų5725.1 Ų25.139%0.38516%0.157SC..G310 helixtrans-67.4-21.5176.1-52.10000114C108 K146C108-C148 HydrophobicContact CB-CB 4.21Å; C108-C148 WeakPolarHBondContact CB-SG 3.23Å; C108-C148 PolarHBondContact SG-SG 2.79Å; K146-C148 HydrophobicContact CG-CB 4.34Å; K146-C148 PolarHBondContact O-N 3.06Å
149N96.3Very high96.1Very high10 Ų1027.7 Ų27.75%0.05317%0.167CC..G310 helixtrans-99.611.6-179.1-70.72.4000111.8D144 K146 P147 C161D144-N149 PolarHBondContact O-ND2 2.9Å; K146-N149 WeakPolarHBondContact CE-ND2 3.39Å; K146-N149 WeakPolarHBondContact CE-OD1 3.33Å; K146-N149 HydrophobicContact CG-CB 4.15Å; K146-N149 PolarHBondContact O-N 2.95Å; P147-N149 PolarHBondContact O-N 3.37Å; N149-C161 PolarHBondContact O-N 3.24Å
150I98.3Very high96.3Very high1 Ų125.5 Ų25.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-11598.4176.9-56.6-56000107D106 L107 M128 L145 P147 L158 I160 I212D106-I150 CarbonylContact C-O 3.49Å; D106-I150 VanDerWaalsContact CA-O 3.27Å; D106-I150 WeakPolarHBondContact CA-O 3.24Å; L107-I150 HydrophobicContact CB-CB 3.95Å; L107-I150 HydrophobicContact CB-CG2 4.07Å; L107-I150 HydrophobicContact CD2-CB 4.35Å; L107-I150 HydrophobicContact CD2-CG2 4.19Å; L107-I150 PolarHBondContact N-O 3.25Å; M128-I150 HydrophobicContact CG-CD1 4.1Å; M128-I150 HydrophobicContact CG-CG2 4.34Å; M128-I150 HydrophobicContact SD-CD1 3.92Å; M128-I150 HydrophobicContact SD-CG1 3.97Å; M128-I150 HydrophobicContact SD-CG2 4.27Å; L145-I150 HydrophobicContact CD2-CD1 4.34Å; P147-I150 PolarHBondContact O-N 3.18Å; I150-L158 HydrophobicContact CG2-CD1 3.33Å; I150-L158 HydrophobicContact CG2-CD2 3.88Å; I150-L158 HydrophobicContact CG2-CG 3.47Å; I150-L158 VanDerWaalsContact CG2-CG 3.47Å; I150-I160 HydrophobicContact CD1-CG1 4.03Å; I150-I212 HydrophobicContact CG1-CD1 4.33Å
151L98.1Very high96.4Very high33 Ų3326.1 Ų26.117%0.17316%0.16CC..EExtended strand (participates in β ladder)trans-84.6146.2-177.7-54.6-179.7000110.7V79 M103 D106 L158 R159 C161V79-L151 HydrophobicContact CG2-CD1 4.46Å; M103-L151 HydrophobicContact CB-CB 3.66Å; M103-L151 HydrophobicContact CB-CD1 4.29Å; M103-L151 HydrophobicContact CB-CG 4.49Å; M103-L151 HydrophobicContact CE-CB 4.33Å; M103-L151 HydrophobicContact CG-CB 3.63Å; M103-L151 HydrophobicContact CG-CD1 3.99Å; M103-L151 HydrophobicContact CG-CG 4.46Å; D106-L151 HydrophobicContact CB-CD2 4.17Å; L151-L158 CarbonylContact O-C 3.37Å; L151-L158 VanDerWaalsContact O-CA 3.27Å; L151-L158 WeakPolarHBondContact O-CA 3.38Å; L151-R159 HydrophobicContact CB-CB 4.5Å; L151-R159 WeakPolarHBondContact CB-O 3.24Å; L151-R159 PolarHBondContact N-O 3.14Å; L151-R159 PolarHBondContact O-N 3.19Å; L151-C161 HydrophobicContact CD1-CB 3.82Å; L151-C161 HydrophobicContact CG-CB 4.14Å
152L98.1Very high96.4Very high3 Ų328 Ų282%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-137143.1-175.8-61.6171.9000111.1E104 T105 L107 L110 F124 D157 L158E104-L152 PolarHBondContact N-O 3.01Å; E104-L152 VanDerWaalsContact N-O 3.16Å; T105-L152 HydrophobicContact CG2-CB 3.89Å; T105-L152 PolarHBondContact N-O 3.34Å; T105-L152 PolarHBondContact O-N 2.72Å; T105-L152 VanDerWaalsContact O-O 3.09Å; L107-L152 HydrophobicContact CB-CD1 4.17Å; L107-L152 HydrophobicContact CD1-CD1 4.04Å; L110-L152 HydrophobicContact CB-CD1 4.42Å; L110-L152 HydrophobicContact CD2-CD1 3.54Å; F124-L152 HydrophobicContact CD1-CD2 3.79Å; F124-L152 HydrophobicContact CE1-CD1 4.33Å; F124-L152 HydrophobicContact CE1-CD2 3.54Å; F124-L152 HydrophobicContact CE2-CD1 4.39Å; F124-L152 HydrophobicContact CZ-CD1 4.07Å; F124-L152 HydrophobicContact CZ-CD2 4.12Å; L152-D157 WeakPolarHBondContact CA-O 3.44Å; L152-L158 HydrophobicContact CD2-CB 3.77Å; L152-L158 HydrophobicContact CD2-CD1 3.99Å; L152-L158 HydrophobicContact CD2-CG 3.93Å
153N95.3Very high96.3Very high38 Ų3828 Ų2820%0.20317%0.17CC..  trans-105.8178.5170.374.78.4000112.5M103 E104 A155 C156 D157M103-N153 HydrophobicContact CE-CB 4.1Å; M103-N153 HydrophobicContact SD-CB 4.31Å; E104-N153 WeakPolarHBondContact OE2-CA 3.16Å; E104-N153 WeakPolarHBondContact OE2-CB 3.21Å; N153-A155 PolarHBondContact O-N 3.24Å; N153-A155 WeakPolarHBondContact OD1-CA 3.38Å; N153-A155 WeakPolarHBondContact OD1-CB 3.36Å; N153-A155 PolarHBondContact OD1-N 3.09Å; N153-C156 PolarHBondContact O-N 3.19Å; N153-C156 VanDerWaalsContact O-N 3.09Å; N153-C156 PolarHBondContact OD1-N 3.1Å; N153-C156 VanDerWaalsContact OD1-N 3.09Å; N153-D157 PolarHBondContact N-O 3.21Å; N153-D157 VanDerWaalsContact N-O 3.16Å; N153-D157 WeakPolarHBondContact ND2-CB 3.49Å; N153-D157 PolarHBondContact ND2-OD2 3.49Å; N153-D157 WeakPolarHBondContact OD1-CB 3.48Å; N153-D157 PolarHBondContact OD1-N 2.75Å; N153-D157 PolarHBondContact OD1-OD2 2.69Å
154A93.6Very high96.2Very high89 Ų8926.1 Ų26.174%0.73616%0.162SC*.THydrogen-bonded Turntrans-64.2-21.7179.200000114.4E104 C156E104-A154 PolarHBondContact OE1-N 3.46Å; E104-A154 VanDerWaalsContact OE1-N 3.14Å; A154-C156 VanDerWaalsContact C-N 3.3Å
155A96.5Very high96Very high67 Ų6726 Ų2655%0.55416%0.162SC*.THydrogen-bonded Turntrans-883.9176.100000113.2N153 D157N153-A155 PolarHBondContact O-N 3.24Å; N153-A155 WeakPolarHBondContact OD1-CA 3.38Å; N153-A155 WeakPolarHBondContact OD1-CB 3.36Å; N153-A155 PolarHBondContact OD1-N 3.09Å; A155-D157 PolarHBondContact O-N 3.32Å
156C97.2Very high95.7Very high30 Ų3025.9 Ų25.920%0.20316%0.161CC..  trans66.419.6-174.8-63.40000114.7Y123 F124 Q127 N153 A154Y123-C156 HydrophobicContact CD1-CB 4.33Å; Y123-C156 HydrophobicContact CE1-CB 4.27Å; F124-C156 HydrophobicContact CE1-CB 3.67Å; F124-C156 HydrophobicContact CZ-CB 4.1Å; Q127-C156 PolarHBondContact NE2-O 2.66Å; N153-C156 PolarHBondContact O-N 3.19Å; N153-C156 VanDerWaalsContact O-N 3.09Å; N153-C156 PolarHBondContact OD1-N 3.1Å; N153-C156 VanDerWaalsContact OD1-N 3.09Å; A154-C156 VanDerWaalsContact C-N 3.3Å
157D98.2Very high95.3Very high68 Ų6826.8 Ų26.836%0.36416%0.164SC..  trans-69.6137.6166.6-54.8-50.2000109.3M103 L152 N153 A155M103-D157 WeakPolarHBondContact CE-O 3.35Å; L152-D157 WeakPolarHBondContact CA-O 3.44Å; N153-D157 PolarHBondContact N-O 3.21Å; N153-D157 VanDerWaalsContact N-O 3.16Å; N153-D157 WeakPolarHBondContact ND2-CB 3.49Å; N153-D157 PolarHBondContact ND2-OD2 3.49Å; N153-D157 WeakPolarHBondContact OD1-CB 3.48Å; N153-D157 PolarHBondContact OD1-N 2.75Å; N153-D157 PolarHBondContact OD1-OD2 2.69Å; A155-D157 PolarHBondContact O-N 3.32Å
158L98.6Very high94.9Very high0 Ų027.7 Ų27.70%017%0.169CC..EExtended strand (participates in β ladder)trans-116.3135.1-173.7-178.3157.7000111N77 F124 Q127 M128 I150 L151 L152 I160N77-L158 WeakPolarHBondContact CA-O 3.49Å; N77-L158 PolarHBondContact ND2-O 3.4Å; F124-L158 HydrophobicContact CB-CD1 4.01Å; F124-L158 HydrophobicContact CD1-CD1 4.2Å; F124-L158 HydrophobicContact CG-CD1 4.41Å; Q127-L158 HydrophobicContact CB-CB 3.85Å; Q127-L158 HydrophobicContact CB-CD1 4.31Å; Q127-L158 HydrophobicContact CB-CD2 4.29Å; Q127-L158 HydrophobicContact CB-CG 4.39Å; Q127-L158 HydrophobicContact CG-CB 4.47Å; M128-L158 HydrophobicContact CG-CD1 3.61Å; M128-L158 HydrophobicContact CG-CD2 3.87Å; M128-L158 HydrophobicContact CG-CG 4.42Å; I150-L158 HydrophobicContact CG2-CD1 3.33Å; I150-L158 HydrophobicContact CG2-CD2 3.88Å; I150-L158 HydrophobicContact CG2-CG 3.47Å; I150-L158 VanDerWaalsContact CG2-CG 3.47Å; L151-L158 CarbonylContact O-C 3.37Å; L151-L158 VanDerWaalsContact O-CA 3.27Å; L151-L158 WeakPolarHBondContact O-CA 3.38Å; L152-L158 HydrophobicContact CD2-CB 3.77Å; L152-L158 HydrophobicContact CD2-CD1 3.99Å; L152-L158 HydrophobicContact CD2-CG 3.93Å; L158-I160 HydrophobicContact CD2-CG1 4.33Å
159R98.6Very high94.3Very high55 Ų5525.6 Ų25.621%0.20816%0.155CC..EExtended strand (participates in β ladder)trans-129.9129.9172.8-69.4-177.2-175.7-94.3-3.3112.4H75 E76 I78 C101 M103 L151H75-R159 PolarHBondContact O-NH1 3.38Å; E76-R159 VanDerWaalsContact O-CG 3.29Å; E76-R159 WeakPolarHBondContact O-CG 3.32Å; E76-R159 PolarHBondContact O-NE 3.16Å; E76-R159 PolarHBondContact O-NH1 3.29Å; E76-R159 VanDerWaalsContact O-NH1 3.15Å; I78-R159 PolarHBondContact O-NH1 2.88Å; C101-R159 WeakPolarHBondContact SG-CD 3.3Å; M103-R159 HydrophobicContact CE-CB 4.19Å; M103-R159 HydrophobicContact CE-CG 4.04Å; M103-R159 HydrophobicContact SD-CG 4.33Å; L151-R159 HydrophobicContact CB-CB 4.5Å; L151-R159 WeakPolarHBondContact CB-O 3.24Å; L151-R159 PolarHBondContact N-O 3.14Å; L151-R159 PolarHBondContact O-N 3.19Å
160I98.6Very high93.3Very high1 Ų127 Ų271%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-76.5133.9171.4-59.8170000109.2N77 V79 I135 L145 I150 L158 F163N77-I160 PolarHBondContact O-N 2.82Å; V79-I160 PolarHBondContact N-O 3.24Å; I135-I160 HydrophobicContact CD1-CD1 3.9Å; I135-I160 HydrophobicContact CD1-CG2 4.25Å; L145-I160 HydrophobicContact CD2-CD1 4.45Å; L145-I160 HydrophobicContact CD2-CG2 3.74Å; I150-I160 HydrophobicContact CD1-CG1 4.03Å; L158-I160 HydrophobicContact CD2-CG1 4.33Å; I160-F163 HydrophobicContact CG2-CE2 4.15Å; I160-F163 HydrophobicContact CG2-CZ 4.24Å
161C96.3Very high91.6Very high14 Ų1432.4 Ų32.410%0.09520%0.198CC..  trans-133176177.672.80000112.9V79 H142 N149 L151V79-C161 HydrophobicContact CB-CB 4.04Å; V79-C161 HydrophobicContact CG1-CB 3.81Å; H142-C161 PolarHBondContact NE2-O 3.02Å; H142-C161 VanDerWaalsContact NE2-O 3.07Å; N149-C161 PolarHBondContact O-N 3.24Å; L151-C161 HydrophobicContact CD1-CB 3.82Å; L151-C161 HydrophobicContact CG-CB 4.14Å
162D92.8Very high89.9Confident39 Ų3939.4 Ų39.421%0.20923%0.23CC..  trans6769.9176.9-166.710.5000114.8H142 G164H142-D162 PolarHBondContact CE1-O 2.96Å; H142-D162 PolarHBondContact NE2-O 3.44Å; D162-G164 PolarHBondContact O-N 3.01Å
163F93.4Very high87.9Confident0 Ų040.4 Ų40.40%024%0.237CC..G310 helixtrans-8512.2177.6-74-107.7000112.9I69 L70 M73 I78 I135 H142 I160 L165 A166I69-F163 HydrophobicContact CG2-CD1 3.67Å; I69-F163 HydrophobicContact CG2-CE1 4.12Å; I69-F163 HydrophobicContact CG2-CG 4.31Å; L70-F163 HydrophobicContact CD1-CD2 4.24Å; L70-F163 HydrophobicContact CD2-CD2 3.56Å; L70-F163 HydrophobicContact CD2-CE2 3.63Å; L70-F163 HydrophobicContact CD2-CG 4.17Å; L70-F163 HydrophobicContact CD2-CZ 4.27Å; L70-F163 HydrophobicContact CG-CB 4.47Å; L70-F163 HydrophobicContact CG-CD2 3.99Å; L70-F163 HydrophobicContact CG-CG 4.31Å; M73-F163 HydrophobicContact SD-CE1 4.09Å; M73-F163 HydrophobicContact SD-CZ 4.42Å; I78-F163 HydrophobicContact CG2-CE2 3.88Å; I78-F163 HydrophobicContact CG2-CZ 3.83Å; I135-F163 HydrophobicContact CD1-CE1 3.85Å; I135-F163 HydrophobicContact CD1-CZ 3.59Å; I135-F163 HydrophobicContact CG1-CE1 3.99Å; I135-F163 HydrophobicContact CG1-CZ 4.02Å; I135-F163 HydrophobicContact CG2-CE1 4.29Å; H142-F163 AromaticContact CD2-CE1 3.86Å; H142-F163 AromaticContact CD2-CZ 3.87Å; I160-F163 HydrophobicContact CG2-CE2 4.15Å; I160-F163 HydrophobicContact CG2-CZ 4.24Å; F163-L165 PolarHBondContact O-N 2.88Å; F163-A166 HydrophobicContact CB-CB 4.21Å; F163-A166 HydrophobicContact CD1-CB 4.15Å; F163-A166 VanDerWaalsContact O-CB 3.24Å; F163-A166 WeakPolarHBondContact O-CB 3.42Å; F163-A166 PolarHBondContact O-N 2.64Å
164G89.8Confident85.7Confident0 Ų044.8 Ų44.80%026%0.256CS..G310 helixtrans-59.7-31.2-177.700000112.9R62 R65 D162R62-G164 WeakPolarHBondContact CG-O 3.48Å; R65-G164 PolarHBondContact NH1-O 3.21Å; D162-G164 PolarHBondContact O-N 3.01Å
165L89.2Confident83.6Confident12 Ų1242 Ų426%0.06323%0.228CC..G310 helixtrans-94.8-3177.9-71.6179.9000114.7R143 D144 F163 R167 Y182R143-L165 WeakPolarHBondContact CD-O 3.34Å; D144-L165 HydrophobicContact CB-CB 4.16Å; D144-L165 HydrophobicContact CB-CD1 3.77Å; D144-L165 HydrophobicContact CB-CG 4.5Å; F163-L165 PolarHBondContact O-N 2.88Å; L165-R167 PolarHBondContact O-NH1 2.88Å; L165-Y182 HydrophobicContact CD1-CE1 4.27Å; L165-Y182 HydrophobicContact CD2-CE1 4.14Å
166A91Very high80.9Confident0 Ų042.4 Ų42.40%023%0.227CC..  trans-58162.8-176.400000112.5R65 I69 V140 L141 H142 F163R65-A166 WeakPolarHBondContact CD-O 3.24Å; R65-A166 PolarHBondContact NE-O 3.4Å; I69-A166 HydrophobicContact CD1-CB 3.55Å; V140-A166 HydrophobicContact CG1-CB 4.02Å; L141-A166 CarbonylContact O-C 3.58Å; L141-A166 WeakPolarHBondContact O-CA 3.15Å; L141-A166 VanDerWaalsContact O-CB 3.27Å; L141-A166 WeakPolarHBondContact O-CB 3.38Å; H142-A166 WeakPolarHBondContact O-CA 3.25Å; H142-A166 PolarHBondContact O-N 2.68Å; F163-A166 HydrophobicContact CB-CB 4.21Å; F163-A166 HydrophobicContact CD1-CB 4.15Å; F163-A166 VanDerWaalsContact O-CB 3.24Å; F163-A166 WeakPolarHBondContact O-CB 3.42Å; F163-A166 PolarHBondContact O-N 2.64Å
167R88.8Confident78.1Confident46 Ų4642.7 Ų42.717%0.17424%0.235CC..EExtended strand (participates in β ladder)trans-147155.2168.6-76.1-57.4-176.5-70.41.6110.3V140 L141 L165V140-R167 CarbonylContact C-O 3.55Å; V140-R167 WeakPolarHBondContact CA-O 3.34Å; L141-R167 PolarHBondContact N-O 3Å; L141-R167 PolarHBondContact O-N 3.44Å; L165-R167 PolarHBondContact O-NH1 2.88Å
168I88Confident74.9Confident19 Ų1945.1 Ų45.110%0.09725%0.252CS..EExtended strand (participates in β ladder)trans-69.2131.4163.1-52.1-44.5000107.6N139 V140 D170 F324 Q326N139-I168 WeakPolarHBondContact ND2-CG2 3.36Å; N139-I168 CarbonylContact O-C 3.53Å; N139-I168 VanDerWaalsContact O-CA 3.29Å; N139-I168 WeakPolarHBondContact O-CA 3.2Å; N139-I168 WeakPolarHBondContact O-CG2 3.16Å; V140-I168 HydrophobicContact CG2-CD1 3.82Å; I168-D170 PolarHBondContact O-N 3.22Å; I168-F324 HydrophobicContact CD1-CB 3.55Å; I168-F324 HydrophobicContact CD1-CD2 3.86Å; I168-F324 HydrophobicContact CD1-CG 4.18Å; I168-F324 HydrophobicContact CG1-CB 4.25Å; I168-F324 VanDerWaalsContact CG2-O 3.31Å; I168-F324 WeakPolarHBondContact CG2-O 3.48Å; I168-Q326 HydrophobicContact CB-CB 4.25Å; I168-Q326 HydrophobicContact CB-CG 4.48Å; I168-Q326 HydrophobicContact CG2-CB 4.24Å
169A83.6Confident72Confident13 Ų1351.5 Ų51.511%0.10729%0.286CS..  trans-69.4121.2176.200000108.1N139 L141N139-A169 PolarHBondContact ND2-O 3.37Å; N139-A169 PolarHBondContact O-N 3.02Å; N139-A169 WeakPolarHBondContact OD1-CB 3.35Å; N139-A169 PolarHBondContact OD1-O 3.49Å; L141-A169 HydrophobicContact CD1-CB 4.1Å; L141-A169 HydrophobicContact CD2-CB 3.85Å; L141-A169 HydrophobicContact CG-CB 3.8Å
170D74.2Confident69.2Low40 Ų4053.3 Ų53.321%0.21430%0.303CS..  trans-132.1108.3173.3175.710.4000107.6I168 E172 S173 Q326I168-D170 PolarHBondContact O-N 3.22Å; D170-E172 PolarHBondContact O-N 3.38Å; D170-E172 PolarHBondContact OD1-N 3Å; D170-S173 WeakPolarHBondContact CB-OG 3.4Å; D170-S173 VanDerWaalsContact CG-N 3.29Å; D170-S173 PolarHBondContact O-OG 3.17Å; D170-S173 PolarHBondContact OD1-N 2.73Å; D170-S173 WeakPolarHBondContact OD2-CA 3.45Å; D170-S173 WeakPolarHBondContact OD2-CB 3.4Å; D170-S173 PolarHBondContact OD2-N 3.25Å; D170-S173 PolarHBondContact OD2-OG 2.86Å; D170-Q326 PolarHBondContact OD2-OE1 3.5Å
171P63.2Low66.5Low114 Ų11462 Ų6274%0.7434%0.344SS*.SBendtrans-63.8-24.3177.6-17.229.9000113.5
172E62.5Low64.5Low179 Ų17964.7 Ų64.784%0.83635%0.352SS*.SBendtrans-95.5-24.2-173.8-62.2-170.6172.800112.6D170 E174D170-E172 PolarHBondContact O-N 3.38Å; D170-E172 PolarHBondContact OD1-N 3Å; E172-E174 PolarHBondContact O-N 3.41Å; E172-E174 VanDerWaalsContact O-N 3.15Å
173S57.5Low62.5Low25 Ų2570 Ų7018%0.17539%0.386CS..SBendtrans-66.2117.1174.361.80000111.4D170 Q175D170-S173 WeakPolarHBondContact CB-OG 3.4Å; D170-S173 VanDerWaalsContact CG-N 3.29Å; D170-S173 PolarHBondContact O-OG 3.17Å; D170-S173 PolarHBondContact OD1-N 2.73Å; D170-S173 WeakPolarHBondContact OD2-CA 3.45Å; D170-S173 WeakPolarHBondContact OD2-CB 3.4Å; D170-S173 PolarHBondContact OD2-N 3.25Å; D170-S173 PolarHBondContact OD2-OG 2.86Å; S173-Q175 PolarHBondContact O-N 3.05Å; S173-Q175 WeakPolarHBondContact OG-CG 3.29Å
174E47.2Very low61Low129 Ų12971.2 Ų71.260%0.60340%0.396SS*.  trans-61.789.5156.2-65-161.1146.200108E172 S176 K198E172-E174 PolarHBondContact O-N 3.41Å; E172-E174 VanDerWaalsContact O-N 3.15Å; E174-S176 PolarHBondContact O-N 3.48Å; E174-K198 IonicContact OE1-NZ 3.48Å; E174-K198 PolarHBondContact OE1-NZ 3.44Å; E174-K198 IonicContact OE2-NZ 2.68Å
175Q50.6Low60.4Low32 Ų3274 Ų7415%0.1541%0.413CS..  trans-72.859.2167.5-64-167.822.400109.2S173 G177 Y200S173-Q175 PolarHBondContact O-N 3.05Å; S173-Q175 WeakPolarHBondContact OG-CG 3.29Å; Q175-G177 PolarHBondContact O-N 2.68Å; Q175-Y200 HydrophobicContact CB-CD2 4.12Å; Q175-Y200 HydrophobicContact CB-CE2 4.14Å
176S38.8Very low60.4Low74 Ų7476.6 Ų76.652%0.51742%0.422SS..  trans-68.968.1171.2-174.10000109.3E174 T178E174-S176 PolarHBondContact O-N 3.48Å; S176-T178 PolarHBondContact O-N 3.07Å
177G39.1Very low60.7Low37 Ų3780.9 Ų80.938%0.38144%0.438SS..  trans-84.291.615400000106.6Q175 L179Q175-G177 PolarHBondContact O-N 2.68Å; G177-L179 PolarHBondContact O-N 3.35Å
178T31Very low61Low118 Ų11879.6 Ų79.672%0.72443%0.434SS*.THydrogen-bonded Turntrans-34.4111.2164.9-49.80000108.9S176 T180S176-T178 PolarHBondContact O-N 3.07Å; T178-T180 WeakPolarHBondContact O-CA 3.32Å; T178-T180 PolarHBondContact O-N 3.45Å; T178-T180 PolarHBondContact O-OG1 2.84Å
179L37.2Very low61.2Low134 Ų13480.9 Ų80.970%0.70244%0.437SS*.THydrogen-bonded Turntrans-566.3176.8-80.4157.6000113.4G177 E181 Y228G177-L179 PolarHBondContact O-N 3.35Å; L179-E181 PolarHBondContact O-N 3.41Å; L179-E181 VanDerWaalsContact O-N 3.1Å; L179-Y228 HydrophobicContact CD2-CD2 4.39Å; L179-Y228 HydrophobicContact CD2-CE2 3.81Å
180T40Very low61.6Low94 Ų9480.2 Ų80.258%0.57743%0.432SS*.  trans-78.7118.4-169.8-20.70000102.5T178 Y182T178-T180 WeakPolarHBondContact O-CA 3.32Å; T178-T180 PolarHBondContact O-N 3.45Å; T178-T180 PolarHBondContact O-OG1 2.84Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 VanDerWaalsContact O-CD2 3.27Å; T180-Y182 WeakPolarHBondContact O-CD2 3.34Å; T180-Y182 PolarHBondContact O-N 2.87Å
181E43.2Very low62.4Low183 Ų18378.4 Ų78.486%0.85542%0.422SS*.  trans-52.198.8-174.8-162.3173.8-16200108.5L179 V183L179-E181 PolarHBondContact O-N 3.41Å; L179-E181 VanDerWaalsContact O-N 3.1Å; E181-V183 PolarHBondContact O-N 2.87Å; E181-V183 VanDerWaalsContact O-N 3.1Å
182Y53.9Low63.6Low70 Ų7073.5 Ų73.528%0.27539%0.39SS..  trans-76.6110.4-169.7-110.7-93.6000106.9L165 T180 A184 R189L165-Y182 HydrophobicContact CD1-CE1 4.27Å; L165-Y182 HydrophobicContact CD2-CE1 4.14Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 VanDerWaalsContact O-CD2 3.27Å; T180-Y182 WeakPolarHBondContact O-CD2 3.34Å; T180-Y182 PolarHBondContact O-N 2.87Å; Y182-A184 PolarHBondContact O-N 3.36Å; Y182-R189 VanDerWaalsContact CB-NH1 3.28Å
183V51.3Low64.6Low152 Ų15266.7 Ų66.792%0.92136%0.358SS*.  trans-65.8-1.6-177.8-169.90000113.3E181E181-V183 PolarHBondContact O-N 2.87Å; E181-V183 VanDerWaalsContact O-N 3.1Å
184A61.5Low65.6Low25 Ų2566 Ų6621%0.20735%0.352CS..SBendtrans-96.5159.2-179.900000113.3Y182 R186 R189Y182-A184 PolarHBondContact O-N 3.36Å; A184-R186 PolarHBondContact O-N 2.97Å; A184-R189 PolarHBondContact O-NH2 3.26Å
185T76Confident67Low59 Ų5960 Ų6036%0.36233%0.325SS..  trans-48.5124.9172.7-51.60000111.1W187 Y188T185-W187 HydrophobicContact CG2-CB 4.09Å; T185-W187 HydrophobicContact CG2-CD2 3.48Å; T185-W187 VanDerWaalsContact CG2-CD2 3.48Å; T185-W187 HydrophobicContact CG2-CE3 3.6Å; T185-W187 HydrophobicContact CG2-CG 3.7Å; T185-W187 HydrophobicContact CG2-CZ3 4.29Å; T185-Y188 HydrophobicContact CG2-CD2 4.4Å; T185-Y188 HydrophobicContact CG2-CE2 4.02Å
186R90Very high67.8Low66 Ų6659.7 Ų59.725%0.24933%0.325CS..  trans-95.7-5.3-175.567.5-176.263.677.60.3114.6A184 Y188 R189 G225 K226 Q231A184-R186 PolarHBondContact O-N 2.97Å; R186-Y188 PolarHBondContact O-N 3.14Å; R186-Y188 VanDerWaalsContact O-N 3.16Å; R186-R189 WeakPolarHBondContact O-CB 3.47Å; R186-R189 PolarHBondContact O-N 3.42Å; R186-G225 WeakPolarHBondContact CD-O 3.44Å; R186-G225 PolarHBondContact NH1-O 3.26Å; R186-G225 VanDerWaalsContact NH1-O 3.14Å; R186-K226 VanDerWaalsContact NH1-C 3.29Å; R186-K226 PolarHBondContact NH1-O 3.2Å; R186-Q231 HydrophobicContact CG-CB 4.37Å; R186-Q231 HydrophobicContact CG-CG 4.4Å; R186-Q231 PolarHBondContact O-NE2 3.39Å
187W96.1Very high68.7Low90 Ų9058.3 Ų58.334%0.34132%0.315SS..THydrogen-bonded Turntrans-62.6-25.7-167.6-55.4-22.5000114.5T185 V221 F223 G225 Q231T185-W187 HydrophobicContact CG2-CB 4.09Å; T185-W187 HydrophobicContact CG2-CD2 3.48Å; T185-W187 VanDerWaalsContact CG2-CD2 3.48Å; T185-W187 HydrophobicContact CG2-CE3 3.6Å; T185-W187 HydrophobicContact CG2-CG 3.7Å; T185-W187 HydrophobicContact CG2-CZ3 4.29Å; W187-V221 HydrophobicContact CB-CG1 3.73Å; W187-V221 HydrophobicContact CD2-CG1 3.8Å; W187-V221 HydrophobicContact CE3-CB 4.21Å; W187-V221 HydrophobicContact CE3-CG1 3.62Å; W187-V221 HydrophobicContact CE3-CG2 3.63Å; W187-V221 HydrophobicContact CG-CG1 3.9Å; W187-V221 HydrophobicContact CZ3-CG1 4.41Å; W187-V221 HydrophobicContact CZ3-CG2 3.71Å; W187-F223 WeakPolarHBondContact CA-O 3.42Å; W187-F223 WeakPolarHBondContact CB-O 3.49Å; W187-G225 PolarHBondContact NE1-O 3.04Å; W187-Q231 PolarHBondContact O-NE2 3.32Å; W187-Q231 VanDerWaalsContact O-NE2 3.15Å
188Y96.1Very high69.6Low18 Ų1861.2 Ų61.27%0.07132%0.317CS..THydrogen-bonded Turntrans-101.24.8-179-46.2-84.2000112.6L145 K146 P147 T185 R186 S208 C211 I212 E215L145-Y188 WeakPolarHBondContact O-CB 3.21Å; K146-Y188 HydrophobicContact CB-CD1 4.46Å; K146-Y188 HydrophobicContact CB-CD2 3.42Å; K146-Y188 VanDerWaalsContact CB-CD2 3.42Å; K146-Y188 HydrophobicContact CB-CE2 3.46Å; K146-Y188 VanDerWaalsContact CB-CE2 3.46Å; K146-Y188 HydrophobicContact CB-CG 3.97Å; P147-Y188 WeakPolarHBondContact CD-OH 3.29Å; P147-Y188 HydrophobicContact CG-CE1 4.02Å; T185-Y188 HydrophobicContact CG2-CD2 4.4Å; T185-Y188 HydrophobicContact CG2-CE2 4.02Å; R186-Y188 PolarHBondContact O-N 3.14Å; R186-Y188 VanDerWaalsContact O-N 3.16Å; Y188-S208 PolarHBondContact O-OG 2.88Å; Y188-C211 HydrophobicContact CD1-CB 3.69Å; Y188-C211 HydrophobicContact CE1-CB 4.46Å; Y188-I212 HydrophobicContact CD1-CG1 4.16Å; Y188-I212 HydrophobicContact CE1-CG1 4.33Å; Y188-E215 WeakPolarHBondContact CE1-OE2 3.42Å; Y188-E215 PolarHBondContact OH-OE2 3.2Å
189R92.2Very high71.1Confident46 Ų4660 Ų6017%0.17431%0.306CS..  trans-77.8135.3-179-67.7-176.2-175.6143.120.9111.1Y182 A184 R186 I193 M194 W207Y182-R189 VanDerWaalsContact CB-NH1 3.28Å; A184-R189 PolarHBondContact O-NH2 3.26Å; R186-R189 WeakPolarHBondContact O-CB 3.47Å; R186-R189 PolarHBondContact O-N 3.42Å; R189-I193 HydrophobicContact CB-CB 4.41Å; R189-I193 HydrophobicContact CB-CG1 4.42Å; R189-M194 HydrophobicContact CB-SD 4.44Å; R189-W207 PolarHBondContact O-NE1 2.88Å; R189-W207 VanDerWaalsContact O-NE1 3.15Å
190A92.6Very high72.9Confident0 Ų055 Ų550%028%0.278CS..  trans-66.1149.2175.500000111.9E192 I193 M194 I204 W207A190-E192 HydrophobicContact CB-CG 4.42Å; A190-E192 VanDerWaalsContact CB-OE1 3.26Å; A190-E192 WeakPolarHBondContact CB-OE1 3.37Å; A190-E192 VanDerWaalsContact CB-OE2 3.28Å; A190-E192 WeakPolarHBondContact CB-OE2 3.47Å; A190-E192 PolarHBondContact O-N 3.29Å; A190-I193 HydrophobicContact CB-CG1 4.15Å; A190-I193 VanDerWaalsContact O-CB 3.27Å; A190-I193 WeakPolarHBondContact O-CB 3.21Å; A190-I193 WeakPolarHBondContact O-CG1 3.24Å; A190-I193 PolarHBondContact O-N 2.8Å; A190-M194 VanDerWaalsContact O-SD 3.4Å; A190-I204 HydrophobicContact CB-CB 4.36Å; A190-I204 HydrophobicContact CB-CG2 4.42Å; A190-W207 VanDerWaalsContact CA-CG 3.49Å; A190-W207 HydrophobicContact CB-CB 3.63Å; A190-W207 HydrophobicContact CB-CD2 4.08Å; A190-W207 HydrophobicContact CB-CG 3.53Å
191P90.8Very high75.2Confident1 Ų153.3 Ų53.31%0.00627%0.267CS..Hα-helixtrans-59-34-176.323.5-33.7000112.6I193 M194 L195 W207 L232 I235 F291P191-I193 VanDerWaalsContact C-N 3.28Å; P191-I193 PolarHBondContact O-N 3.1Å; P191-M194 WeakPolarHBondContact O-CA 3.4Å; P191-M194 VanDerWaalsContact O-CB 3.31Å; P191-M194 WeakPolarHBondContact O-CB 3.5Å; P191-M194 PolarHBondContact O-N 3.12Å; P191-L195 HydrophobicContact CB-CD1 4.43Å; P191-L195 VanDerWaalsContact O-CG 3.32Å; P191-L195 WeakPolarHBondContact O-CG 3.19Å; P191-L195 PolarHBondContact O-N 3.37Å; P191-W207 HydrophobicContact CG-CE3 4.39Å; P191-W207 HydrophobicContact CG-CH2 4.13Å; P191-W207 HydrophobicContact CG-CZ3 4.03Å; P191-L232 HydrophobicContact CB-CD1 4.36Å; P191-I235 HydrophobicContact CB-CD1 4.28Å; P191-F291 HydrophobicContact CB-CD2 4.01Å; P191-F291 HydrophobicContact CB-CE2 3.76Å; P191-F291 HydrophobicContact CG-CD2 3.89Å; P191-F291 HydrophobicContact CG-CE2 4.14Å; P191-F291 HydrophobicContact CG-CG 4.47Å
192E87.2Confident77.6Confident12 Ų1248.3 Ų48.36%0.05624%0.243CC..Hα-helixtrans-67-25177.867.4-85-162.800113.8A190 M194 L195 T196 I204 P293 R296A190-E192 HydrophobicContact CB-CG 4.42Å; A190-E192 VanDerWaalsContact CB-OE1 3.26Å; A190-E192 WeakPolarHBondContact CB-OE1 3.37Å; A190-E192 VanDerWaalsContact CB-OE2 3.28Å; A190-E192 WeakPolarHBondContact CB-OE2 3.47Å; A190-E192 PolarHBondContact O-N 3.29Å; E192-M194 PolarHBondContact O-N 3.07Å; E192-L195 PolarHBondContact O-N 3.32Å; E192-T196 HydrophobicContact CB-CG2 4.34Å; E192-T196 PolarHBondContact O-N 3.06Å; E192-I204 HydrophobicContact CG-CG2 4.4Å; E192-I204 WeakPolarHBondContact OE1-CG2 3.49Å; E192-P293 HydrophobicContact CB-CG 4.4Å; E192-P293 HydrophobicContact CG-CB 4.35Å; E192-P293 HydrophobicContact CG-CG 4.26Å; E192-R296 IonicContact OE1-CZ 3.67Å; E192-R296 IonicContact OE1-NH1 3.38Å; E192-R296 PolarHBondContact OE1-NH1 2.64Å; E192-R296 IonicContact OE1-NH2 3.49Å; E192-R296 PolarHBondContact OE1-NH2 3.27Å; E192-R296 IonicContact OE2-CZ 2.66Å; E192-R296 IonicContact OE2-NH1 2.69Å; E192-R296 IonicContact OE2-NH2 3.4Å; E192-R296 PolarHBondContact OE2-NH2 3.31Å
193I83.4Confident79.6Confident35 Ų3545.4 Ų45.418%0.17923%0.234CC..Hα-helixtrans-61.8-33.3171.1-55.8-64.2000109.8R189 A190 P191 Y200 I204R189-I193 HydrophobicContact CB-CB 4.41Å; R189-I193 HydrophobicContact CB-CG1 4.42Å; A190-I193 HydrophobicContact CB-CG1 4.15Å; A190-I193 VanDerWaalsContact O-CB 3.27Å; A190-I193 WeakPolarHBondContact O-CB 3.21Å; A190-I193 WeakPolarHBondContact O-CG1 3.24Å; A190-I193 PolarHBondContact O-N 2.8Å; P191-I193 VanDerWaalsContact C-N 3.28Å; P191-I193 PolarHBondContact O-N 3.1Å; I193-Y200 HydrophobicContact CD1-CD1 3.28Å; I193-Y200 HydrophobicContact CD1-CE1 3.25Å; I193-Y200 HydrophobicContact CG1-CE1 4.48Å; I193-Y200 HydrophobicContact CG2-CE1 4.33Å; I193-I204 HydrophobicContact CD1-CB 4.11Å; I193-I204 HydrophobicContact CD1-CD1 4.2Å; I193-I204 HydrophobicContact CD1-CG2 3.69Å; I193-I204 HydrophobicContact CG1-CG2 4.4Å
194M79Confident81.6Confident10 Ų1038.4 Ų38.45%0.04919%0.191CC..Hα-helixtrans-72.6-62.6170.4-67.190.482.900108.8R189 A190 P191 E192 T196 Y228 Q231 L232 I235R189-M194 HydrophobicContact CB-SD 4.44Å; A190-M194 VanDerWaalsContact O-SD 3.4Å; P191-M194 WeakPolarHBondContact O-CA 3.4Å; P191-M194 VanDerWaalsContact O-CB 3.31Å; P191-M194 WeakPolarHBondContact O-CB 3.5Å; P191-M194 PolarHBondContact O-N 3.12Å; E192-M194 PolarHBondContact O-N 3.07Å; M194-T196 VanDerWaalsContact C-N 3.32Å; M194-T196 PolarHBondContact O-N 3.34Å; M194-Y228 VanDerWaalsContact CA-CZ 3.44Å; M194-Y228 WeakPolarHBondContact CA-OH 3.4Å; M194-Y228 HydrophobicContact CB-CD2 4.11Å; M194-Y228 HydrophobicContact CB-CE1 4Å; M194-Y228 HydrophobicContact CB-CE2 3.44Å; M194-Y228 VanDerWaalsContact CB-CE2 3.44Å; M194-Y228 HydrophobicContact CG-CD1 4.48Å; M194-Y228 HydrophobicContact CG-CD2 3.63Å; M194-Y228 HydrophobicContact CG-CE1 4.3Å; M194-Y228 HydrophobicContact CG-CE2 3.49Å; M194-Y228 VanDerWaalsContact CG-CE2 3.49Å; M194-Y228 HydrophobicContact CG-CG 4.17Å; M194-Y228 PolarHBondContact O-OH 3.07Å; M194-Q231 HydrophobicContact CE-CB 4.12Å; M194-Q231 HydrophobicContact CE-CG 3.65Å; M194-Q231 HydrophobicContact SD-CG 4.23Å; M194-L232 HydrophobicContact CE-CB 3.87Å; M194-L232 HydrophobicContact CE-CD1 4.21Å; M194-I235 HydrophobicContact CE-CD1 3.59Å
195L77.3Confident83.3Confident5 Ų537.2 Ų37.23%0.02618%0.181CC..Hα-helixtrans-66.9-28.1-162.9-58.7165.2000114.6P191 E192 L232 I250 N252 A255 L259 F291P191-L195 HydrophobicContact CB-CD1 4.43Å; P191-L195 VanDerWaalsContact O-CG 3.32Å; P191-L195 WeakPolarHBondContact O-CG 3.19Å; P191-L195 PolarHBondContact O-N 3.37Å; E192-L195 PolarHBondContact O-N 3.32Å; L195-L232 HydrophobicContact CD2-CD1 4.33Å; L195-L232 HydrophobicContact CD2-CD2 3.71Å; L195-I250 HydrophobicContact CB-CG2 4.25Å; L195-I250 HydrophobicContact CD1-CD1 4.05Å; L195-N252 WeakPolarHBondContact O-CB 3.38Å; L195-N252 PolarHBondContact O-ND2 3.04Å; L195-A255 HydrophobicContact CB-CB 4.14Å; L195-A255 HydrophobicContact CD2-CB 3.84Å; L195-A255 WeakPolarHBondContact O-CB 3.07Å; L195-L259 HydrophobicContact CD1-CD1 3.95Å; L195-L259 HydrophobicContact CD2-CD1 3.55Å; L195-L259 HydrophobicContact CD2-CD2 4.32Å; L195-L259 HydrophobicContact CD2-CG 3.93Å; L195-L259 HydrophobicContact CG-CD1 4.39Å; L195-F291 HydrophobicContact CD1-CE1 4.35Å; L195-F291 HydrophobicContact CD1-CE2 4.25Å; L195-F291 HydrophobicContact CD1-CZ 3.58Å
196T68Low84.4Confident25 Ų2534.6 Ų34.615%0.15317%0.165CC..  trans-131.8138.7-173.81110000110.9E192 M194 K198E192-T196 HydrophobicContact CB-CG2 4.34Å; E192-T196 PolarHBondContact O-N 3.06Å; M194-T196 VanDerWaalsContact C-N 3.32Å; M194-T196 PolarHBondContact O-N 3.34Å; T196-K198 PolarHBondContact OG1-N 3.18Å
197S56.2Low84.8Confident45 Ų4531.4 Ų31.432%0.31515%0.153SC..SBendtrans-90.10.3175.267.90000113.5
198K58.3Low84.9Confident97 Ų9727.5 Ų27.542%0.42214%0.139SC..SBendtrans-120.9-21.6-159.2-66.2-163.5175.5-167.50116.3E174 T196E174-K198 IonicContact OE1-NZ 3.48Å; E174-K198 PolarHBondContact OE1-NZ 3.44Å; E174-K198 IonicContact OE2-NZ 2.68Å; T196-K198 PolarHBondContact OG1-N 3.18Å
199L62.3Low85Confident92 Ų9226.7 Ų26.748%0.48214%0.136SC..  trans-125.589.7-173.6-76.3123.6000112.1
200Y75.1Confident85.3Confident31 Ų3124.5 Ų24.512%0.12213%0.128CC..  trans-90.9110.8165.8-59.2-48000108.7L141 Q175 I193 I204L141-Y200 WeakPolarHBondContact CD1-O 3.49Å; Q175-Y200 HydrophobicContact CB-CD2 4.12Å; Q175-Y200 HydrophobicContact CB-CE2 4.14Å; I193-Y200 HydrophobicContact CD1-CD1 3.28Å; I193-Y200 HydrophobicContact CD1-CE1 3.25Å; I193-Y200 HydrophobicContact CG1-CE1 4.48Å; I193-Y200 HydrophobicContact CG2-CE1 4.33Å; Y200-I204 HydrophobicContact CD1-CD1 4.4Å
201T88.7Confident85.6Confident57 Ų5724.6 Ų24.635%0.3513%0.128SC..  trans-110.6174.4175.369.50000110.1A203 I204T201-A203 PolarHBondContact O-N 3.41Å; T201-A203 WeakPolarHBondContact OG1-CB 3.47Å; T201-A203 PolarHBondContact OG1-N 3.03Å; T201-I204 WeakPolarHBondContact O-CG1 3.46Å; T201-I204 PolarHBondContact O-N 2.91Å
202K94.3Very high86Confident78 Ų7824.6 Ų24.634%0.33913%0.128SC..THydrogen-bonded Turntrans-50.4-28.7170.5-72.1176.8177.2-174.80113.2H136 L141 I204 D205H136-K202 HydrophobicContact CB-CD 3.9Å; H136-K202 HydrophobicContact CB-CG 4.32Å; H136-K202 PolarHBondContact CE1-O 2.81Å; H136-K202 WeakPolarHBondContact O-CE 3.37Å; H136-K202 PolarHBondContact O-NZ 3.36Å; L141-K202 VanDerWaalsContact CD2-CA 3.49Å; L141-K202 HydrophobicContact CD2-CB 4.24Å; L141-K202 HydrophobicContact CD2-CG 3.74Å; K202-I204 PolarHBondContact O-N 3.31Å; K202-I204 VanDerWaalsContact O-N 3.11Å; K202-D205 PolarHBondContact O-N 2.92Å
203A94.6Very high86.5Confident10 Ų1024 Ų248%0.08313%0.125CC..Hα-helixtrans-59.7-25.1-178.100000113.9T201 D205 I206 W207 P293 R296T201-A203 PolarHBondContact O-N 3.41Å; T201-A203 WeakPolarHBondContact OG1-CB 3.47Å; T201-A203 PolarHBondContact OG1-N 3.03Å; A203-D205 VanDerWaalsContact C-N 3.31Å; A203-D205 PolarHBondContact O-N 3.5Å; A203-I206 WeakPolarHBondContact O-CB 3.38Å; A203-I206 PolarHBondContact O-N 2.85Å; A203-W207 PolarHBondContact O-N 2.99Å; A203-P293 HydrophobicContact CB-CB 3.92Å; A203-R296 VanDerWaalsContact C-NH1 3.26Å; A203-R296 HydrophobicContact CB-CB 4.48Å; A203-R296 WeakPolarHBondContact O-CD 3.36Å; A203-R296 PolarHBondContact O-NH1 2.72Å
204I94.3Very high87.3Confident5 Ų522.3 Ų22.33%0.02612%0.117CC..Hα-helixtrans-68.5-33.3-178.573.9-173.7000111.9L141 R143 A190 E192 I193 Y200 T201 K202 S208L141-I204 HydrophobicContact CD1-CD1 4.3Å; R143-I204 HydrophobicContact CG-CD1 4.02Å; A190-I204 HydrophobicContact CB-CB 4.36Å; A190-I204 HydrophobicContact CB-CG2 4.42Å; E192-I204 HydrophobicContact CG-CG2 4.4Å; E192-I204 WeakPolarHBondContact OE1-CG2 3.49Å; I193-I204 HydrophobicContact CD1-CB 4.11Å; I193-I204 HydrophobicContact CD1-CD1 4.2Å; I193-I204 HydrophobicContact CD1-CG2 3.69Å; I193-I204 HydrophobicContact CG1-CG2 4.4Å; Y200-I204 HydrophobicContact CD1-CD1 4.4Å; T201-I204 WeakPolarHBondContact O-CG1 3.46Å; T201-I204 PolarHBondContact O-N 2.91Å; K202-I204 PolarHBondContact O-N 3.31Å; K202-I204 VanDerWaalsContact O-N 3.11Å; I204-S208 PolarHBondContact O-N 3.45Å; I204-S208 PolarHBondContact O-OG 2.95Å
205D96.8Very high88.2Confident0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-74.4-37176.5-68.2-30.9000110.2L132 H136 L141 H142 R143 L145 K202 A203 W207 S208 I209L132-D205 HydrophobicContact CD1-CB 3.9Å; L132-D205 HydrophobicContact CD2-CB 3.87Å; H136-D205 IonicContact CD2-OD2 3.93Å; H136-D205 IonicContact NE2-OD2 2.59Å; H136-D205 PolarHBondContact NE2-OD2 2.9Å; L141-D205 WeakPolarHBondContact CA-OD2 3.18Å; H142-D205 PolarHBondContact N-OD1 3.41Å; H142-D205 PolarHBondContact N-OD2 3.44Å; R143-D205 PolarHBondContact N-OD1 3.3Å; L145-D205 HydrophobicContact CD1-CB 3.84Å; K202-D205 PolarHBondContact O-N 2.92Å; A203-D205 VanDerWaalsContact C-N 3.31Å; A203-D205 PolarHBondContact O-N 3.5Å; D205-W207 VanDerWaalsContact C-N 3.34Å; D205-W207 PolarHBondContact O-N 3.45Å; D205-S208 WeakPolarHBondContact O-CB 3.35Å; D205-S208 PolarHBondContact O-N 2.88Å; D205-S208 VanDerWaalsContact O-N 3.13Å; D205-I209 PolarHBondContact O-N 3.32Å
206I98.5Very high89.2Confident3 Ų322.3 Ų22.32%0.01512%0.117CC..Hα-helixtrans-59-46.1174.1-55.9-62000111.1L132 A203 S208 I209 G210 L288 R296 I297 V299L132-I206 HydrophobicContact CD2-CD1 3.85Å; A203-I206 WeakPolarHBondContact O-CB 3.38Å; A203-I206 PolarHBondContact O-N 2.85Å; I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.18Å; I206-I209 PolarHBondContact O-N 2.85Å; I206-G210 PolarHBondContact O-N 2.86Å; I206-L288 HydrophobicContact CG2-CD2 3.48Å; I206-L288 VanDerWaalsContact CG2-CD2 3.48Å; I206-R296 HydrophobicContact CB-CG 4.4Å; I206-R296 HydrophobicContact CG2-CG 3.9Å; I206-I297 HydrophobicContact CG2-CG2 3.95Å; I206-I297 WeakPolarHBondContact CG2-O 3.31Å; I206-V299 HydrophobicContact CD1-CB 3.84Å
207W98.1Very high90.7Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-58.1-44.4175175.9-80.8000111.6R189 A190 P191 A203 D205 I209 G210 C211 F223 I235 L239 L289R189-W207 PolarHBondContact O-NE1 2.88Å; R189-W207 VanDerWaalsContact O-NE1 3.15Å; A190-W207 VanDerWaalsContact CA-CG 3.49Å; A190-W207 HydrophobicContact CB-CB 3.63Å; A190-W207 HydrophobicContact CB-CD2 4.08Å; A190-W207 HydrophobicContact CB-CG 3.53Å; P191-W207 HydrophobicContact CG-CE3 4.39Å; P191-W207 HydrophobicContact CG-CH2 4.13Å; P191-W207 HydrophobicContact CG-CZ3 4.03Å; A203-W207 PolarHBondContact O-N 2.99Å; D205-W207 VanDerWaalsContact C-N 3.34Å; D205-W207 PolarHBondContact O-N 3.45Å; W207-I209 VanDerWaalsContact C-N 3.31Å; W207-I209 PolarHBondContact O-N 3.38Å; W207-G210 WeakPolarHBondContact O-CA 3.32Å; W207-G210 PolarHBondContact O-N 2.96Å; W207-C211 PolarHBondContact NE1-SG 2.92Å; W207-C211 PolarHBondContact O-N 3.5Å; W207-F223 HydrophobicContact CH2-CE2 4.26Å; W207-F223 HydrophobicContact CZ2-CD2 4.15Å; W207-F223 AromaticContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CZ 4.32Å; W207-I235 HydrophobicContact CH2-CD1 4.32Å; W207-I235 HydrophobicContact CH2-CG1 4.4Å; W207-I235 HydrophobicContact CH2-CG2 3.65Å; W207-I235 HydrophobicContact CZ2-CD1 3.65Å; W207-I235 HydrophobicContact CZ2-CG1 3.87Å; W207-I235 HydrophobicContact CZ2-CG2 3.99Å; W207-L239 HydrophobicContact CH2-CD1 3.58Å; W207-L239 HydrophobicContact CZ3-CD1 3.83Å; W207-L289 HydrophobicContact CD2-CD2 3.88Å; W207-L289 HydrophobicContact CE3-CD2 3.98Å; W207-L289 HydrophobicContact CG-CD2 4.41Å; W207-L289 HydrophobicContact CH2-CD2 4.26Å; W207-L289 HydrophobicContact CZ2-CD2 4.14Å; W207-L289 HydrophobicContact CZ3-CB 4.31Å; W207-L289 HydrophobicContact CZ3-CD2 4.19Å
208S98.1Very high92.6Very high8 Ų822.5 Ų22.56%0.05612%0.116CC..Hα-helixtrans-59.8-42.9179.3-54.70000111.1Y188 I204 D205 I206 C211 I212Y188-S208 PolarHBondContact O-OG 2.88Å; I204-S208 PolarHBondContact O-N 3.45Å; I204-S208 PolarHBondContact O-OG 2.95Å; D205-S208 WeakPolarHBondContact O-CB 3.35Å; D205-S208 PolarHBondContact O-N 2.88Å; D205-S208 VanDerWaalsContact O-N 3.13Å; I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.18Å; S208-C211 WeakPolarHBondContact O-CB 3.39Å; S208-C211 PolarHBondContact O-N 3.24Å; S208-I212 WeakPolarHBondContact O-CG1 3.45Å; S208-I212 PolarHBondContact O-N 3.39Å
209I98.8Very high94.5Very high1 Ų120.3 Ų20.31%0.00511%0.109CC..Hα-helixtrans-62.2-41.3172.6-70.6-175.1000111.5L125 M128 L129 L132 L145 D205 I206 W207 C211 I212 M213 L288L125-I209 HydrophobicContact CD1-CG2 3.43Å; L125-I209 VanDerWaalsContact CD1-CG2 3.43Å; M128-I209 HydrophobicContact CB-CD1 4.13Å; L129-I209 HydrophobicContact CD2-CD1 3.84Å; L129-I209 HydrophobicContact CD2-CG2 4.18Å; L129-I209 HydrophobicContact CG-CD1 4.37Å; L129-I209 HydrophobicContact CG-CG2 4.46Å; L132-I209 HydrophobicContact CB-CD1 4.15Å; L132-I209 HydrophobicContact CD2-CD1 3.44Å; L132-I209 VanDerWaalsContact CD2-CD1 3.44Å; L132-I209 HydrophobicContact CD2-CG1 4.38Å; L132-I209 HydrophobicContact CG-CD1 4.38Å; L145-I209 HydrophobicContact CD1-CD1 4.24Å; L145-I209 HydrophobicContact CD1-CG1 3.91Å; D205-I209 PolarHBondContact O-N 3.32Å; I206-I209 PolarHBondContact O-N 2.85Å; W207-I209 VanDerWaalsContact C-N 3.31Å; W207-I209 PolarHBondContact O-N 3.38Å; I209-C211 VanDerWaalsContact C-N 3.31Å; I209-C211 PolarHBondContact O-N 2.98Å; I209-I212 PolarHBondContact O-N 3.21Å; I209-I212 VanDerWaalsContact O-N 3.09Å; I209-M213 PolarHBondContact O-N 3.48Å; I209-L288 HydrophobicContact CG2-CD1 4.44Å
210G98.9Very high96.2Very high0 Ų025.1 Ų25.10%012%0.12CC..Hα-helixtrans-56.6-43.3173.200000112.6I206 W207 M213 A214 L285I206-G210 PolarHBondContact O-N 2.86Å; W207-G210 WeakPolarHBondContact O-CA 3.32Å; W207-G210 PolarHBondContact O-N 2.96Å; G210-M213 PolarHBondContact O-N 3.22Å; G210-A214 WeakPolarHBondContact O-CB 3.44Å; G210-A214 PolarHBondContact O-N 3.1Å; G210-L285 VanDerWaalsContact O-CD1 3.29Å; G210-L285 WeakPolarHBondContact O-CD1 3.43Å
211C98.8Very high97.3Very high2 Ų225.4 Ų25.41%0.01413%0.125CC..Hα-helixtrans-64.5-38.6173.9-67.80000112.6Y188 W207 S208 I209 A214 E215Y188-C211 HydrophobicContact CD1-CB 3.69Å; Y188-C211 HydrophobicContact CE1-CB 4.46Å; W207-C211 PolarHBondContact NE1-SG 2.92Å; W207-C211 PolarHBondContact O-N 3.5Å; S208-C211 WeakPolarHBondContact O-CB 3.39Å; S208-C211 PolarHBondContact O-N 3.24Å; I209-C211 VanDerWaalsContact C-N 3.31Å; I209-C211 PolarHBondContact O-N 2.98Å; C211-A214 WeakPolarHBondContact O-CB 3.3Å; C211-A214 PolarHBondContact O-N 3.44Å; C211-E215 PolarHBondContact O-N 3.34Å
212I98.8Very high97.7Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-66-44.1176.1-64.2164.4000110.5L107 M128 L145 P147 I150 Y188 S208 I209 A214 E215 M216L107-I212 HydrophobicContact CD2-CG2 3.51Å; M128-I212 HydrophobicContact CE-CG2 3.83Å; M128-I212 HydrophobicContact SD-CD1 4.23Å; M128-I212 HydrophobicContact SD-CG2 3.83Å; L145-I212 HydrophobicContact CB-CD1 4.29Å; P147-I212 HydrophobicContact CG-CG1 4.21Å; P147-I212 HydrophobicContact CG-CG2 4.42Å; I150-I212 HydrophobicContact CG1-CD1 4.33Å; Y188-I212 HydrophobicContact CD1-CG1 4.16Å; Y188-I212 HydrophobicContact CE1-CG1 4.33Å; S208-I212 WeakPolarHBondContact O-CG1 3.45Å; S208-I212 PolarHBondContact O-N 3.39Å; I209-I212 PolarHBondContact O-N 3.21Å; I209-I212 VanDerWaalsContact O-N 3.09Å; I212-A214 VanDerWaalsContact C-N 3.35Å; I212-A214 PolarHBondContact O-N 3.32Å; I212-E215 PolarHBondContact O-N 3.34Å; I212-E215 VanDerWaalsContact O-N 3.14Å; I212-M216 HydrophobicContact CG2-CE 4.42Å; I212-M216 HydrophobicContact CG2-CG 4.42Å; I212-M216 WeakPolarHBondContact O-CG 3.43Å; I212-M216 PolarHBondContact O-N 3.08Å
213M98.8Very high97.9Very high0 Ų020.2 Ų20.20%010%0.099CC..Hα-helixtrans-58.2-46.9175.7-178.5-177.2-178.700111.3L125 I209 G210 E215 M216 L217 A281 L284 L285 L288 Y307L125-M213 HydrophobicContact CD1-CB 4.37Å; L125-M213 HydrophobicContact CD2-CE 3.92Å; L125-M213 HydrophobicContact CD2-CG 4.15Å; L125-M213 HydrophobicContact CD2-SD 3.53Å; L125-M213 VanDerWaalsContact CD2-SD 3.53Å; I209-M213 PolarHBondContact O-N 3.48Å; G210-M213 PolarHBondContact O-N 3.22Å; M213-E215 VanDerWaalsContact C-N 3.27Å; M213-E215 PolarHBondContact O-N 2.8Å; M213-M216 HydrophobicContact CB-CE 4.46Å; M213-M216 WeakPolarHBondContact O-CB 3.2Å; M213-M216 PolarHBondContact O-N 3.44Å; M213-L217 HydrophobicContact CG-CD1 4.38Å; M213-L217 WeakPolarHBondContact O-CG 3.21Å; M213-L217 PolarHBondContact O-N 3.29Å; M213-A281 HydrophobicContact CE-CB 3.94Å; M213-A281 WeakPolarHBondContact CE-O 3.4Å; M213-L284 HydrophobicContact CE-CB 4.48Å; M213-L285 HydrophobicContact CB-CD1 4.18Å; M213-L285 HydrophobicContact CE-CB 4.3Å; M213-L285 HydrophobicContact CG-CD1 4.2Å; M213-L285 HydrophobicContact SD-CB 4.08Å; M213-L285 HydrophobicContact SD-CD1 4.07Å; M213-L288 HydrophobicContact SD-CD1 3.73Å; M213-Y307 HydrophobicContact CE-CD1 4.22Å; M213-Y307 HydrophobicContact CE-CE1 3.91Å
214A98.8Very high98Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-57-39.417500000113.1G210 C211 I212 L217 S218 L222 Y274 L285G210-A214 WeakPolarHBondContact O-CB 3.44Å; G210-A214 PolarHBondContact O-N 3.1Å; C211-A214 WeakPolarHBondContact O-CB 3.3Å; C211-A214 PolarHBondContact O-N 3.44Å; I212-A214 VanDerWaalsContact C-N 3.35Å; I212-A214 PolarHBondContact O-N 3.32Å; A214-L217 PolarHBondContact O-N 3.44Å; A214-S218 PolarHBondContact O-OG 3.15Å; A214-L222 HydrophobicContact CB-CB 3.92Å; A214-L222 HydrophobicContact CB-CD2 3.57Å; A214-L222 HydrophobicContact CB-CG 4.27Å; A214-Y274 WeakPolarHBondContact CB-OH 3.3Å; A214-Y274 WeakPolarHBondContact O-CE1 3.43Å; A214-L285 HydrophobicContact CB-CD1 4.11Å
215E98.6Very high98Very high14 Ų1422.5 Ų22.57%0.06511%0.113CC..Hα-helixtrans-71.6-38.6177-164.7171.115300111.7L111 Y188 C211 I212 M213 L217 S218 N219 R220L111-E215 HydrophobicContact CD1-CB 4.34Å; L111-E215 HydrophobicContact CD1-CG 3.88Å; Y188-E215 WeakPolarHBondContact CE1-OE2 3.42Å; Y188-E215 PolarHBondContact OH-OE2 3.2Å; C211-E215 PolarHBondContact O-N 3.34Å; I212-E215 PolarHBondContact O-N 3.34Å; I212-E215 VanDerWaalsContact O-N 3.14Å; M213-E215 VanDerWaalsContact C-N 3.27Å; M213-E215 PolarHBondContact O-N 2.8Å; E215-L217 VanDerWaalsContact C-N 3.29Å; E215-L217 PolarHBondContact O-N 2.88Å; E215-S218 PolarHBondContact O-N 2.79Å; E215-N219 VanDerWaalsContact O-CA 3.24Å; E215-N219 WeakPolarHBondContact O-CA 3.48Å; E215-N219 PolarHBondContact O-N 2.91Å; E215-R220 WeakPolarHBondContact CA-O 3.35Å
216M98.7Very high97.7Very high1 Ų130.6 Ų30.61%0.00515%0.149CC..Hα-helixtrans-61.4-36.9173.5-70.9-166.1-66.100112.5L107 L111 L116 I121 F124 L125 M128 I212 M213 S218L107-M216 HydrophobicContact CD1-CG 4.32Å; L107-M216 HydrophobicContact CD1-SD 4.23Å; L107-M216 HydrophobicContact CD2-CG 4.09Å; L107-M216 HydrophobicContact CD2-SD 3.97Å; L111-M216 HydrophobicContact CD1-CG 4.27Å; L111-M216 HydrophobicContact CD2-CG 4.27Å; L116-M216 HydrophobicContact CD1-CB 4.1Å; L116-M216 HydrophobicContact CD1-CG 3.97Å; L116-M216 HydrophobicContact CD1-SD 4.12Å; I121-M216 HydrophobicContact CD1-CB 4.35Å; I121-M216 WeakPolarHBondContact CD1-O 3.02Å; I121-M216 HydrophobicContact CG1-CB 4.1Å; I121-M216 HydrophobicContact CG2-CB 4.16Å; I121-M216 HydrophobicContact CG2-CE 4.07Å; F124-M216 HydrophobicContact CB-CE 4.49Å; F124-M216 HydrophobicContact CB-SD 3.93Å; F124-M216 HydrophobicContact CD2-SD 4.17Å; L125-M216 HydrophobicContact CB-CE 4.33Å; M128-M216 HydrophobicContact CE-CE 3.56Å; M128-M216 HydrophobicContact CE-SD 4.39Å; I212-M216 HydrophobicContact CG2-CE 4.42Å; I212-M216 HydrophobicContact CG2-CG 4.42Å; I212-M216 WeakPolarHBondContact O-CG 3.43Å; I212-M216 PolarHBondContact O-N 3.08Å; M213-M216 HydrophobicContact CB-CE 4.46Å; M213-M216 WeakPolarHBondContact O-CB 3.2Å; M213-M216 PolarHBondContact O-N 3.44Å; M216-S218 VanDerWaalsContact C-N 3.28Å; M216-S218 PolarHBondContact O-N 3.48Å
217L98.4Very high97.2Very high36 Ų3635.4 Ų35.419%0.18817%0.171CC..Hα-helixtrans-69.4-20.4178.6-70.3169.5000114.1I121 M213 A214 E215 Y274 A277 L285I121-L217 HydrophobicContact CD1-CD2 3.88Å; I121-L217 HydrophobicContact CD1-CG 4.47Å; I121-L217 HydrophobicContact CG2-CD2 4.37Å; M213-L217 HydrophobicContact CG-CD1 4.38Å; M213-L217 WeakPolarHBondContact O-CG 3.21Å; M213-L217 PolarHBondContact O-N 3.29Å; A214-L217 PolarHBondContact O-N 3.44Å; E215-L217 VanDerWaalsContact C-N 3.29Å; E215-L217 PolarHBondContact O-N 2.88Å; L217-Y274 HydrophobicContact CB-CD1 3.66Å; L217-Y274 HydrophobicContact CB-CE1 3.98Å; L217-Y274 HydrophobicContact CB-CG 4.25Å; L217-Y274 HydrophobicContact CD1-CD1 4.36Å; L217-Y274 HydrophobicContact CD1-CD2 4.34Å; L217-Y274 HydrophobicContact CD1-CG 4.18Å; L217-A277 HydrophobicContact CD2-CB 3.98Å; L217-L285 HydrophobicContact CD1-CD2 4.07Å
218S97.5Very high96.4Very high37 Ų3739.6 Ų39.626%0.25919%0.187SC..Hα-helixtrans-136.7-6-170.763.50000116.4A214 E215 M216 R220A214-S218 PolarHBondContact O-OG 3.15Å; E215-S218 PolarHBondContact O-N 2.79Å; M216-S218 VanDerWaalsContact C-N 3.28Å; M216-S218 PolarHBondContact O-N 3.48Å; S218-R220 PolarHBondContact O-N 2.78Å; S218-R220 PolarHBondContact OG-N 3.23Å; S218-R220 PolarHBondContact OG-O 3.38Å
219N97.7Very high95.8Very high51 Ų5142.8 Ų42.827%0.27320%0.203SC..SBendtrans56.322.5-168.5-61.795.1000113.7L111 Q114 E215L111-N219 PolarHBondContact O-ND2 2.9Å; Q114-N219 PolarHBondContact O-ND2 2.89Å; E215-N219 VanDerWaalsContact O-CA 3.24Å; E215-N219 WeakPolarHBondContact O-CA 3.48Å; E215-N219 PolarHBondContact O-N 2.91Å
220R97.5Very high95.5Very high193 Ų19344.6 Ų44.673%0.72821%0.213SC*.SBendtrans-133.6132.3-177.7-65.5-178.6-174.7-167.71.7110.8E215 S218 L222E215-R220 WeakPolarHBondContact CA-O 3.35Å; S218-R220 PolarHBondContact O-N 2.78Å; S218-R220 PolarHBondContact OG-N 3.23Å; S218-R220 PolarHBondContact OG-O 3.38Å; R220-L222 PolarHBondContact O-N 3.05Å
221V98Very high95.2Very high37 Ų3744.7 Ų44.722%0.22421%0.213CC..  trans-56.5124.7173.4178.70000109.1W187 P224W187-V221 HydrophobicContact CB-CG1 3.73Å; W187-V221 HydrophobicContact CD2-CG1 3.8Å; W187-V221 HydrophobicContact CE3-CB 4.21Å; W187-V221 HydrophobicContact CE3-CG1 3.62Å; W187-V221 HydrophobicContact CE3-CG2 3.63Å; W187-V221 HydrophobicContact CG-CG1 3.9Å; W187-V221 HydrophobicContact CZ3-CG1 4.41Å; W187-V221 HydrophobicContact CZ3-CG2 3.71Å; V221-P224 HydrophobicContact CB-CB 4.41Å; V221-P224 HydrophobicContact CG1-CB 4.07Å
222L98.3Very high94.8Very high26 Ų2644.7 Ų44.714%0.13621%0.213CC..SBendtrans-68.4-42.9-176.7176.756.2000112.5A214 R220 P224 V238 W270 L273 L289A214-L222 HydrophobicContact CB-CB 3.92Å; A214-L222 HydrophobicContact CB-CD2 3.57Å; A214-L222 HydrophobicContact CB-CG 4.27Å; R220-L222 PolarHBondContact O-N 3.05Å; L222-P224 WeakPolarHBondContact O-CD 3.48Å; L222-V238 HydrophobicContact CD1-CG2 4.32Å; L222-W270 HydrophobicContact CD2-CH2 4.35Å; L222-W270 HydrophobicContact CD2-CZ3 4.21Å; L222-L273 HydrophobicContact CD1-CD1 4.48Å; L222-L289 HydrophobicContact CD2-CD1 3.5Å
223F97.9Very high94.5Very high1 Ų146.4 Ų46.40%0.00422%0.222CC..  trans-126.375.6-176.4-52.7-57.7000112.1W187 W207 G225 Q231 L234 I235 V238 L289W187-F223 WeakPolarHBondContact CA-O 3.42Å; W187-F223 WeakPolarHBondContact CB-O 3.49Å; W207-F223 HydrophobicContact CH2-CE2 4.26Å; W207-F223 HydrophobicContact CZ2-CD2 4.15Å; W207-F223 AromaticContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CZ 4.32Å; F223-G225 PolarHBondContact O-N 3.33Å; F223-Q231 PolarHBondContact O-NE2 3.13Å; F223-Q231 PolarHBondContact O-OE1 2.84Å; F223-L234 HydrophobicContact CB-CB 4.45Å; F223-L234 HydrophobicContact CD1-CB 4.26Å; F223-I235 HydrophobicContact CB-CG1 4.4Å; F223-I235 HydrophobicContact CD1-CG1 3.97Å; F223-I235 HydrophobicContact CD2-CG1 3.91Å; F223-I235 HydrophobicContact CE1-CB 4.41Å; F223-I235 HydrophobicContact CE1-CG1 4.16Å; F223-I235 HydrophobicContact CE2-CG1 4.1Å; F223-I235 HydrophobicContact CG-CG1 3.84Å; F223-I235 HydrophobicContact CZ-CG1 4.21Å; F223-V238 HydrophobicContact CE1-CB 3.9Å; F223-V238 HydrophobicContact CE1-CG2 3.79Å; F223-V238 HydrophobicContact CZ-CB 4.44Å; F223-L289 HydrophobicContact CE2-CD2 4.47Å
224P96.7Very high94.4Very high61 Ų6148.1 Ų48.140%0.39623%0.231SC..  trans-80.357-175.733.9-37.5000113.7V221 L222 L234V221-P224 HydrophobicContact CB-CB 4.41Å; V221-P224 HydrophobicContact CG1-CB 4.07Å; L222-P224 WeakPolarHBondContact O-CD 3.48Å; P224-L234 HydrophobicContact CG-CD1 4.42Å
225G94.6Very high94.3Very high1 Ų148.1 Ų48.11%0.0123%0.231CC..  trans-67.4131.8-175.100000115R186 W187 F223 D230 Q231 L234R186-G225 WeakPolarHBondContact CD-O 3.44Å; R186-G225 PolarHBondContact NH1-O 3.26Å; R186-G225 VanDerWaalsContact NH1-O 3.14Å; W187-G225 PolarHBondContact NE1-O 3.04Å; F223-G225 PolarHBondContact O-N 3.33Å; G225-D230 WeakPolarHBondContact CA-OD2 3.47Å; G225-Q231 VanDerWaalsContact CA-OE1 3.24Å; G225-L234 VanDerWaalsContact CA-CD1 3.49Å
226K90.8Very high94.1Very high170 Ų17047.7 Ų47.774%0.73923%0.229SC*.SBendtrans-75.8-33.6-178.5-64.5177-176.4175.40113.3R186 D230R186-K226 VanDerWaalsContact NH1-C 3.29Å; R186-K226 PolarHBondContact NH1-O 3.2Å; K226-D230 WeakPolarHBondContact CB-OD2 3.29Å; K226-D230 PolarHBondContact N-OD2 3.09Å
227H86.9Confident94Very high104 Ų10452.6 Ų52.648%0.48125%0.252SS..SBendtrans-147.7177.217648.780.5000109.4I229 D230 Q231H227-I229 PolarHBondContact O-N 3.34Å; H227-D230 PolarHBondContact ND1-N 3.49Å; H227-D230 PolarHBondContact O-N 3.14Å; H227-Q231 PolarHBondContact O-N 3.24Å
228Y81.6Confident94Very high89 Ų8951.7 Ų51.735%0.34925%0.248SC..Hα-helixtrans-54.2-48.9-174171.9-79.4000113.2L179 M194 Q231 L232L179-Y228 HydrophobicContact CD2-CD2 4.39Å; L179-Y228 HydrophobicContact CD2-CE2 3.81Å; M194-Y228 VanDerWaalsContact CA-CZ 3.44Å; M194-Y228 WeakPolarHBondContact CA-OH 3.4Å; M194-Y228 HydrophobicContact CB-CD2 4.11Å; M194-Y228 HydrophobicContact CB-CE1 4Å; M194-Y228 HydrophobicContact CB-CE2 3.44Å; M194-Y228 VanDerWaalsContact CB-CE2 3.44Å; M194-Y228 HydrophobicContact CG-CD1 4.48Å; M194-Y228 HydrophobicContact CG-CD2 3.63Å; M194-Y228 HydrophobicContact CG-CE1 4.3Å; M194-Y228 HydrophobicContact CG-CE2 3.49Å; M194-Y228 VanDerWaalsContact CG-CE2 3.49Å; M194-Y228 HydrophobicContact CG-CG 4.17Å; M194-Y228 PolarHBondContact O-OH 3.07Å; Y228-Q231 PolarHBondContact O-N 2.94Å; Y228-L232 PolarHBondContact O-N 3.4Å
229I86Confident93.9Very high75 Ų7550.8 Ų50.839%0.38524%0.24SC..Hα-helixtrans-66.5-40.2-179.4-71179.9000111.3H227 L232 N233 Y258H227-I229 PolarHBondContact O-N 3.34Å; I229-L232 PolarHBondContact O-N 2.94Å; I229-N233 PolarHBondContact O-N 2.99Å; I229-N233 PolarHBondContact O-ND2 3.15Å; I229-Y258 WeakPolarHBondContact CG2-OH 3.47Å
230D91.4Very high93.9Very high39 Ų3948.6 Ų48.621%0.20923%0.229CC..Hα-helixtrans-65.2-40.5-179.9-172.150.4000111.6G225 K226 H227 L232 N233 L234G225-D230 WeakPolarHBondContact CA-OD2 3.47Å; K226-D230 WeakPolarHBondContact CB-OD2 3.29Å; K226-D230 PolarHBondContact N-OD2 3.09Å; H227-D230 PolarHBondContact ND1-N 3.49Å; H227-D230 PolarHBondContact O-N 3.14Å; D230-L232 VanDerWaalsContact C-N 3.32Å; D230-L232 PolarHBondContact O-N 3.4Å; D230-N233 PolarHBondContact O-N 2.81Å; D230-L234 WeakPolarHBondContact O-CG 3.4Å; D230-L234 PolarHBondContact O-N 3Å
231Q93Very high93.6Very high1 Ų141.1 Ų41.11%0.00521%0.207CC..Hα-helixtrans-55.6-47.7173.7-175.36726.500111.6R186 W187 M194 F223 G225 H227 Y228 L234 I235R186-Q231 HydrophobicContact CG-CB 4.37Å; R186-Q231 HydrophobicContact CG-CG 4.4Å; R186-Q231 PolarHBondContact O-NE2 3.39Å; W187-Q231 PolarHBondContact O-NE2 3.32Å; W187-Q231 VanDerWaalsContact O-NE2 3.15Å; M194-Q231 HydrophobicContact CE-CB 4.12Å; M194-Q231 HydrophobicContact CE-CG 3.65Å; M194-Q231 HydrophobicContact SD-CG 4.23Å; F223-Q231 PolarHBondContact O-NE2 3.13Å; F223-Q231 PolarHBondContact O-OE1 2.84Å; G225-Q231 VanDerWaalsContact CA-OE1 3.24Å; H227-Q231 PolarHBondContact O-N 3.24Å; Y228-Q231 PolarHBondContact O-N 2.94Å; Q231-L234 PolarHBondContact O-N 3.47Å; Q231-I235 HydrophobicContact CG-CD1 4.45Å; Q231-I235 WeakPolarHBondContact O-CG1 3.27Å; Q231-I235 PolarHBondContact O-N 3.27Å; Q231-I235 VanDerWaalsContact O-N 3.14Å
232L90.9Very high93.2Very high2 Ų240 Ų401%0.0120%0.2CC..Hα-helixtrans-63.9-42.8179-179.459.5000111.2P191 M194 L195 Y228 I229 D230 L234 I235 L236 Y258 L259P191-L232 HydrophobicContact CB-CD1 4.36Å; M194-L232 HydrophobicContact CE-CB 3.87Å; M194-L232 HydrophobicContact CE-CD1 4.21Å; L195-L232 HydrophobicContact CD2-CD1 4.33Å; L195-L232 HydrophobicContact CD2-CD2 3.71Å; Y228-L232 PolarHBondContact O-N 3.4Å; I229-L232 PolarHBondContact O-N 2.94Å; D230-L232 VanDerWaalsContact C-N 3.32Å; D230-L232 PolarHBondContact O-N 3.4Å; L232-L234 PolarHBondContact O-N 3.3Å; L232-I235 WeakPolarHBondContact O-CB 3.37Å; L232-I235 PolarHBondContact O-N 3.07Å; L232-L236 HydrophobicContact CD1-CD1 4.4Å; L232-L236 HydrophobicContact CD1-CG 4.39Å; L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.26Å; L232-L236 PolarHBondContact O-N 3.14Å; L232-Y258 HydrophobicContact CD2-CD1 4.1Å; L232-Y258 HydrophobicContact CD2-CE1 3.82Å; L232-L259 HydrophobicContact CD1-CD2 4.3Å; L232-L259 HydrophobicContact CD2-CD2 3.89Å; L232-L259 HydrophobicContact CG-CD2 4.22Å
233N92.8Very high92.7Very high37 Ų3741.2 Ų41.220%0.19821%0.211CC..Hα-helixtrans-61.8-40.4177.3-74.1-31.5000113I229 D230 I235 L236 Q237 Y258I229-N233 PolarHBondContact O-N 2.99Å; I229-N233 PolarHBondContact O-ND2 3.15Å; D230-N233 PolarHBondContact O-N 2.81Å; N233-I235 VanDerWaalsContact C-N 3.34Å; N233-L236 PolarHBondContact O-N 3.38Å; N233-Q237 WeakPolarHBondContact O-CB 3.38Å; N233-Q237 PolarHBondContact O-N 3.34Å; N233-Y258 PolarHBondContact OD1-OH 3.06Å
234L96.4Very high92.1Very high36 Ų3649.9 Ų49.919%0.18825%0.249CC..Hα-helixtrans-64.7-38.6176.5-71170.2000111.8F223 P224 G225 D230 Q231 L232 Q237 V238F223-L234 HydrophobicContact CB-CB 4.45Å; F223-L234 HydrophobicContact CD1-CB 4.26Å; P224-L234 HydrophobicContact CG-CD1 4.42Å; G225-L234 VanDerWaalsContact CA-CD1 3.49Å; D230-L234 WeakPolarHBondContact O-CG 3.4Å; D230-L234 PolarHBondContact O-N 3Å; Q231-L234 PolarHBondContact O-N 3.47Å; L232-L234 PolarHBondContact O-N 3.3Å; L234-Q237 WeakPolarHBondContact O-CB 3.09Å; L234-Q237 PolarHBondContact O-N 3.29Å; L234-V238 PolarHBondContact O-N 2.86Å
235I96.3Very high91.6Very high0 Ų052.9 Ų52.90%026%0.257CS..Hα-helixtrans-61.1-51.4174.1-68.4171.1000110.5P191 M194 W207 F223 Q231 L232 N233 Q237 V238 L239P191-I235 HydrophobicContact CB-CD1 4.28Å; M194-I235 HydrophobicContact CE-CD1 3.59Å; W207-I235 HydrophobicContact CH2-CD1 4.32Å; W207-I235 HydrophobicContact CH2-CG1 4.4Å; W207-I235 HydrophobicContact CH2-CG2 3.65Å; W207-I235 HydrophobicContact CZ2-CD1 3.65Å; W207-I235 HydrophobicContact CZ2-CG1 3.87Å; W207-I235 HydrophobicContact CZ2-CG2 3.99Å; F223-I235 HydrophobicContact CB-CG1 4.4Å; F223-I235 HydrophobicContact CD1-CG1 3.97Å; F223-I235 HydrophobicContact CD2-CG1 3.91Å; F223-I235 HydrophobicContact CE1-CB 4.41Å; F223-I235 HydrophobicContact CE1-CG1 4.16Å; F223-I235 HydrophobicContact CE2-CG1 4.1Å; F223-I235 HydrophobicContact CG-CG1 3.84Å; F223-I235 HydrophobicContact CZ-CG1 4.21Å; Q231-I235 HydrophobicContact CG-CD1 4.45Å; Q231-I235 WeakPolarHBondContact O-CG1 3.27Å; Q231-I235 PolarHBondContact O-N 3.27Å; Q231-I235 VanDerWaalsContact O-N 3.14Å; L232-I235 WeakPolarHBondContact O-CB 3.37Å; L232-I235 PolarHBondContact O-N 3.07Å; N233-I235 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 3.44Å; I235-V238 PolarHBondContact O-N 2.92Å; I235-V238 VanDerWaalsContact O-N 3.08Å; I235-L239 HydrophobicContact CG2-CD1 3.87Å; I235-L239 HydrophobicContact CG2-CG 4.25Å; I235-L239 PolarHBondContact O-N 3.48Å
236L95.1Very high91.2Very high5 Ų553.5 Ų53.53%0.02626%0.26CS..Hα-helixtrans-66.3-23.4-179.8-62.5177000113.1L232 N233 V238 G240 P242 L259 L262 R265 F291L232-L236 HydrophobicContact CD1-CD1 4.4Å; L232-L236 HydrophobicContact CD1-CG 4.39Å; L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.26Å; L232-L236 PolarHBondContact O-N 3.14Å; N233-L236 PolarHBondContact O-N 3.38Å; L236-V238 VanDerWaalsContact C-N 3.28Å; L236-V238 PolarHBondContact O-N 3.41Å; L236-G240 WeakPolarHBondContact CD2-O 3.45Å; L236-G240 CarbonylContact O-C 3.52Å; L236-G240 WeakPolarHBondContact O-CA 3.43Å; L236-G240 PolarHBondContact O-N 3.07Å; L236-P242 HydrophobicContact CD2-CG 4.16Å; L236-L259 HydrophobicContact CD1-CD2 3.48Å; L236-L259 VanDerWaalsContact CD1-CD2 3.48Å; L236-L262 HydrophobicContact CD1-CD1 3.59Å; L236-R265 WeakPolarHBondContact O-CD 3.46Å; L236-F291 HydrophobicContact CD2-CD2 4.38Å; L236-F291 HydrophobicContact CD2-CE2 3.88Å
237Q96.2Very high90.8Very high104 Ų10446.8 Ų46.849%0.48623%0.231SC..Hα-helixtrans-67-30.5173.6-175170.9-6.700112.5N233 L234 I235 V268N233-Q237 WeakPolarHBondContact O-CB 3.38Å; N233-Q237 PolarHBondContact O-N 3.34Å; L234-Q237 WeakPolarHBondContact O-CB 3.09Å; L234-Q237 PolarHBondContact O-N 3.29Å; I235-Q237 PolarHBondContact O-N 3.44Å; Q237-V268 WeakPolarHBondContact O-CG2 3.38Å
238V97.7Very high90.6Very high16 Ų1648.9 Ų48.910%0.09724%0.241CC..Hα-helixtrans-95.2-48.2178.3177.40000111L222 F223 L234 I235 L236 G240 V268 W270 L273L222-V238 HydrophobicContact CD1-CG2 4.32Å; F223-V238 HydrophobicContact CE1-CB 3.9Å; F223-V238 HydrophobicContact CE1-CG2 3.79Å; F223-V238 HydrophobicContact CZ-CB 4.44Å; L234-V238 PolarHBondContact O-N 2.86Å; I235-V238 PolarHBondContact O-N 2.92Å; I235-V238 VanDerWaalsContact O-N 3.08Å; L236-V238 VanDerWaalsContact C-N 3.28Å; L236-V238 PolarHBondContact O-N 3.41Å; V238-G240 VanDerWaalsContact C-N 3.32Å; V238-G240 PolarHBondContact O-N 3.4Å; V238-V268 PolarHBondContact O-N 3.1Å; V238-W270 HydrophobicContact CG1-CE3 4.29Å; V238-W270 HydrophobicContact CG1-CH2 3.61Å; V238-W270 HydrophobicContact CG1-CZ3 3.47Å; V238-W270 VanDerWaalsContact CG1-CZ3 3.47Å; V238-L273 HydrophobicContact CG1-CD1 3.72Å; V238-L273 HydrophobicContact CG2-CD1 4.36Å
239L97.1Very high90.6Very high19 Ų1948 Ų4810%0.09925%0.245CC..Hα-helixtrans-78.9-15.2-176.1-62.8-168.7000113.9W207 I235 K267 W270 L289 F291W207-L239 HydrophobicContact CH2-CD1 3.58Å; W207-L239 HydrophobicContact CZ3-CD1 3.83Å; I235-L239 HydrophobicContact CG2-CD1 3.87Å; I235-L239 HydrophobicContact CG2-CG 4.25Å; I235-L239 PolarHBondContact O-N 3.48Å; L239-K267 WeakPolarHBondContact O-CB 3.47Å; L239-W270 HydrophobicContact CD2-CH2 3.83Å; L239-W270 HydrophobicContact CD2-CZ2 3.59Å; L239-L289 VanDerWaalsContact CD1-O 3.3Å; L239-L289 WeakPolarHBondContact CD1-O 3.33Å; L239-F291 HydrophobicContact CD1-CB 4.24Å
240G95.7Very high90.4Very high4 Ų444.8 Ų44.84%0.04123%0.229CC..  trans80.8179.6-171.800000112.7L236 V238 R265L236-G240 WeakPolarHBondContact CD2-O 3.45Å; L236-G240 CarbonylContact O-C 3.52Å; L236-G240 WeakPolarHBondContact O-CA 3.43Å; L236-G240 PolarHBondContact O-N 3.07Å; V238-G240 VanDerWaalsContact C-N 3.32Å; V238-G240 PolarHBondContact O-N 3.4Å; G240-R265 CarbonylContact C-O 3.58Å; G240-R265 VanDerWaalsContact CA-O 3.26Å; G240-R265 WeakPolarHBondContact CA-O 3.34Å
241S92.7Very high89.8Confident36 Ų3648.2 Ų48.225%0.25225%0.251SS..SBendtrans-68138.9173.2-63.90000110.4H264 R265S241-H264 WeakPolarHBondContact OG-CA 3.36Å; S241-R265 PolarHBondContact N-O 3.24Å; S241-R265 PolarHBondContact OG-N 3.48Å
242P89.7Confident89.1Confident14 Ų1451.1 Ų51.19%0.09127%0.266CS..PPolyproline II helixtrans-57.8148172.6-20.433.5000110.5L236 D246 F247 F291L236-P242 HydrophobicContact CD2-CG 4.16Å; P242-D246 HydrophobicContact CB-CB 3.63Å; P242-F247 HydrophobicContact CB-CD2 4.17Å; P242-F247 HydrophobicContact CB-CE2 4.05Å; P242-F247 HydrophobicContact CB-CZ 4.48Å; P242-F247 HydrophobicContact CG-CE2 4.43Å; P242-F247 HydrophobicContact CG-CZ 4.4Å; P242-F247 WeakPolarHBondContact O-CE2 3.4Å; P242-F291 HydrophobicContact CB-CD1 4.21Å; P242-F291 HydrophobicContact CB-CE1 3.92Å; P242-F291 HydrophobicContact CB-CZ 4.34Å; P242-F291 HydrophobicContact CG-CD1 4.15Å; P242-F291 HydrophobicContact CG-CD2 4.47Å; P242-F291 HydrophobicContact CG-CE1 3.63Å; P242-F291 HydrophobicContact CG-CE2 3.98Å; P242-F291 HydrophobicContact CG-CZ 3.52Å
243S87.4Confident88.7Confident51 Ų5156.9 Ų56.936%0.35730%0.297SS..PPolyproline II helixtrans-67.2163.417270.10000110.7E245 D246 F247S243-E245 PolarHBondContact O-N 3.06Å; S243-D246 WeakPolarHBondContact CB-OD2 3.33Å; S243-D246 PolarHBondContact N-OD2 3.07Å; S243-D246 WeakPolarHBondContact O-CB 3.17Å; S243-D246 PolarHBondContact O-N 2.93Å; S243-D246 PolarHBondContact OG-N 3.23Å; S243-D246 PolarHBondContact OG-OD1 2.96Å; S243-D246 PolarHBondContact OG-OD2 3.48Å; S243-F247 WeakPolarHBondContact O-CD2 3.34Å; S243-F247 PolarHBondContact O-N 3.41Å; S243-F247 VanDerWaalsContact O-N 3.08Å
244K85.5Confident88.2Confident184 Ų18463.7 Ų63.780%0.832%0.324SS*.Hα-helixtrans-54.7-40.3175.4-74.7-172.1177-177.10112.3D246 F247 E248K244-D246 VanDerWaalsContact C-N 3.34Å; K244-D246 PolarHBondContact O-N 3.4Å; K244-F247 WeakPolarHBondContact O-CB 3.27Å; K244-F247 PolarHBondContact O-N 3.3Å; K244-E248 PolarHBondContact O-N 2.81Å
245E86.2Confident87.5Confident124 Ų12462.5 Ų62.558%0.57932%0.32SS*.Hα-helixtrans-61.2-42.3175.4-172.2-172.7172.300111.4S243 F247 E248 R295S243-E245 PolarHBondContact O-N 3.06Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.75Å; E245-E248 PolarHBondContact O-N 3.13Å; E245-R295 IonicContact OE2-NH1 3.24Å
246D86.3Confident86.9Confident14 Ų1465.3 Ų65.38%0.07533%0.33CS..Hα-helixtrans-63.3-37.8178.1-58.9-37.5000112.2P242 S243 K244 E248 T249 F291 V292 R295P242-D246 HydrophobicContact CB-CB 3.63Å; S243-D246 WeakPolarHBondContact CB-OD2 3.33Å; S243-D246 PolarHBondContact N-OD2 3.07Å; S243-D246 WeakPolarHBondContact O-CB 3.17Å; S243-D246 PolarHBondContact O-N 2.93Å; S243-D246 PolarHBondContact OG-N 3.23Å; S243-D246 PolarHBondContact OG-OD1 2.96Å; S243-D246 PolarHBondContact OG-OD2 3.48Å; K244-D246 VanDerWaalsContact C-N 3.34Å; K244-D246 PolarHBondContact O-N 3.4Å; D246-E248 VanDerWaalsContact C-N 3.27Å; D246-E248 PolarHBondContact O-N 3.46Å; D246-T249 PolarHBondContact O-N 3.28Å; D246-T249 PolarHBondContact O-OG1 3.38Å; D246-F291 HydrophobicContact CB-CD1 4.5Å; D246-V292 HydrophobicContact CB-CG2 3.77Å; D246-V292 WeakPolarHBondContact OD1-CG2 3.35Å; D246-R295 IonicContact OD1-CZ 2.88Å; D246-R295 IonicContact OD1-NH1 2.82Å; D246-R295 IonicContact OD1-NH2 3.14Å; D246-R295 PolarHBondContact OD1-NH2 3.39Å; D246-R295 IonicContact OD2-NH2 2.68Å
247F82.2Confident86.5Confident29 Ų2967.6 Ų67.613%0.12735%0.35CS..Hα-helixtrans-61.2-35.6176.7-83.8-77.9000113P242 S243 K244 E245 T249 I250 R256 L259 E260P242-F247 HydrophobicContact CB-CD2 4.17Å; P242-F247 HydrophobicContact CB-CE2 4.05Å; P242-F247 HydrophobicContact CB-CZ 4.48Å; P242-F247 HydrophobicContact CG-CE2 4.43Å; P242-F247 HydrophobicContact CG-CZ 4.4Å; P242-F247 WeakPolarHBondContact O-CE2 3.4Å; S243-F247 WeakPolarHBondContact O-CD2 3.34Å; S243-F247 PolarHBondContact O-N 3.41Å; S243-F247 VanDerWaalsContact O-N 3.08Å; K244-F247 WeakPolarHBondContact O-CB 3.27Å; K244-F247 PolarHBondContact O-N 3.3Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.75Å; F247-T249 PolarHBondContact O-N 2.64Å; F247-I250 HydrophobicContact CD1-CD1 4.4Å; F247-I250 WeakPolarHBondContact O-CB 3.27Å; F247-I250 PolarHBondContact O-N 3.09Å; F247-I250 VanDerWaalsContact O-N 3.15Å; F247-R256 HydrophobicContact CD1-CG 4.14Å; F247-R256 PolarHBondContact O-NE 2.86Å; F247-L259 HydrophobicContact CD1-CB 4.3Å; F247-L259 HydrophobicContact CE1-CB 3.36Å; F247-L259 HydrophobicContact CE1-CD1 4.25Å; F247-L259 HydrophobicContact CE1-CG 4.47Å; F247-L259 HydrophobicContact CZ-CB 4.05Å; F247-E260 HydrophobicContact CD1-CG 4.04Å; F247-E260 HydrophobicContact CE1-CG 3.75Å; F247-E260 HydrophobicContact CZ-CG 4.31Å
248E81.9Confident86Confident147 Ų14765.9 Ų65.969%0.68734%0.34SS*.Hα-helixtrans-66.2-29.7179.8-69178.3178.400111.6K244 E245 D246 I250 R256K244-E248 PolarHBondContact O-N 2.81Å; E245-E248 PolarHBondContact O-N 3.13Å; D246-E248 VanDerWaalsContact C-N 3.27Å; D246-E248 PolarHBondContact O-N 3.46Å; E248-I250 PolarHBondContact O-N 3.03Å; E248-R256 PolarHBondContact O-NH2 2.97Å; E248-R256 VanDerWaalsContact O-NH2 3.09Å
249T83.1Confident85.4Confident72 Ų7265.4 Ų65.444%0.44234%0.337SS..Hα-helixtrans-68.2-19.7175.575.20000113.6D246 F247 V251 V292D246-T249 PolarHBondContact O-N 3.28Å; D246-T249 PolarHBondContact O-OG1 3.38Å; F247-T249 PolarHBondContact O-N 2.64Å; T249-V251 PolarHBondContact O-N 3.34Å; T249-V292 HydrophobicContact CG2-CG1 4.38Å
250I80.9Confident85Confident6 Ų670.3 Ų70.33%0.03136%0.359CS..  trans-82.598.9-177.1-55.8173.2000109.7L195 F247 E248 N252 A255 R256 L259 F291L195-I250 HydrophobicContact CB-CG2 4.25Å; L195-I250 HydrophobicContact CD1-CD1 4.05Å; F247-I250 HydrophobicContact CD1-CD1 4.4Å; F247-I250 WeakPolarHBondContact O-CB 3.27Å; F247-I250 PolarHBondContact O-N 3.09Å; F247-I250 VanDerWaalsContact O-N 3.15Å; E248-I250 PolarHBondContact O-N 3.03Å; I250-N252 VanDerWaalsContact C-N 3.3Å; I250-N252 PolarHBondContact O-N 3.13Å; I250-A255 HydrophobicContact CG2-CB 4.25Å; I250-R256 HydrophobicContact CG2-CB 4.45Å; I250-R256 PolarHBondContact O-NE 2.76Å; I250-R256 PolarHBondContact O-NH2 3.16Å; I250-L259 HydrophobicContact CD1-CD1 3.34Å; I250-F291 HydrophobicContact CD1-CE1 4.25Å; I250-F291 HydrophobicContact CD1-CZ 4.39Å
251V78.3Confident84.7Confident112 Ų11274.3 Ų74.368%0.67939%0.386SS*.  trans-63.9-32.1-176.5-178.20000113T249 L253T249-V251 PolarHBondContact O-N 3.34Å; V251-L253 PolarHBondContact O-N 3.32Å
252N79.6Confident84.6Confident61 Ų6174.3 Ų74.333%0.32638%0.383SS..  trans-75.7106.9-178.2-177.2-23.9000111.5L195 I250 K254 A255 R256L195-N252 WeakPolarHBondContact O-CB 3.38Å; L195-N252 PolarHBondContact O-ND2 3.04Å; I250-N252 VanDerWaalsContact C-N 3.3Å; I250-N252 PolarHBondContact O-N 3.13Å; N252-K254 VanDerWaalsContact C-N 3.3Å; N252-K254 PolarHBondContact O-N 3.23Å; N252-K254 WeakPolarHBondContact OD1-CB 3.27Å; N252-K254 PolarHBondContact OD1-N 2.97Å; N252-A255 HydrophobicContact CB-CB 3.92Å; N252-A255 PolarHBondContact O-N 2.85Å; N252-A255 VanDerWaalsContact O-N 3.15Å; N252-A255 PolarHBondContact OD1-N 3.21Å; N252-R256 PolarHBondContact O-N 2.95Å
253L82.3Confident84.7Confident124 Ų12478.1 Ų78.165%0.64941%0.408SS*.Hα-helixtrans-58.3-35.3-179.2-62.7177.3000113.9V251 A257V251-L253 PolarHBondContact O-N 3.32Å; L253-A257 WeakPolarHBondContact O-CB 3.35Å; L253-A257 PolarHBondContact O-N 3.24Å
254K81.6Confident85Confident179 Ų17982.8 Ų82.878%0.77842%0.424SS*.Hα-helixtrans-69.3-42.1177.9-67.9-176.4179.4179.40111.1N252 Y258N252-K254 VanDerWaalsContact C-N 3.3Å; N252-K254 PolarHBondContact O-N 3.23Å; N252-K254 WeakPolarHBondContact OD1-CB 3.27Å; N252-K254 PolarHBondContact OD1-N 2.97Å; K254-Y258 WeakPolarHBondContact O-CB 3.46Å; K254-Y258 PolarHBondContact O-N 2.86Å
255A81.1Confident85.4Confident11 Ų1178 Ų789%0.09140%0.401CS..Hα-helixtrans-65.7-41.117700000111.1L195 I250 N252 Y258 L259L195-A255 HydrophobicContact CB-CB 4.14Å; L195-A255 HydrophobicContact CD2-CB 3.84Å; L195-A255 WeakPolarHBondContact O-CB 3.07Å; I250-A255 HydrophobicContact CG2-CB 4.25Å; N252-A255 HydrophobicContact CB-CB 3.92Å; N252-A255 PolarHBondContact O-N 2.85Å; N252-A255 VanDerWaalsContact O-N 3.15Å; N252-A255 PolarHBondContact OD1-N 3.21Å; A255-Y258 PolarHBondContact O-N 2.98Å; A255-L259 WeakPolarHBondContact O-CG 2.8Å; A255-L259 PolarHBondContact O-N 3.04Å
256R84.8Confident85.9Confident59 Ų5977.5 Ų77.522%0.22341%0.407CS..Hα-helixtrans-59.5-53.3174.2-171.1-175.6-67.3162.2-5.2111.6F247 E248 I250 N252 Y258 L259 E260F247-R256 HydrophobicContact CD1-CG 4.14Å; F247-R256 PolarHBondContact O-NE 2.86Å; E248-R256 PolarHBondContact O-NH2 2.97Å; E248-R256 VanDerWaalsContact O-NH2 3.09Å; I250-R256 HydrophobicContact CG2-CB 4.45Å; I250-R256 PolarHBondContact O-NE 2.76Å; I250-R256 PolarHBondContact O-NH2 3.16Å; N252-R256 PolarHBondContact O-N 2.95Å; R256-Y258 VanDerWaalsContact C-N 3.28Å; R256-Y258 PolarHBondContact O-N 3.27Å; R256-L259 PolarHBondContact O-N 3.44Å; R256-L259 VanDerWaalsContact O-N 3.13Å; R256-E260 WeakPolarHBondContact O-CG 3.42Å; R256-E260 PolarHBondContact O-N 3.4Å
257A85.8Confident86.5Confident54 Ų5480.8 Ų80.845%0.44642%0.42SS..Hα-helixtrans-60.3-37.4178.700000112.7L253 S261L253-A257 WeakPolarHBondContact O-CB 3.35Å; L253-A257 PolarHBondContact O-N 3.24Å; A257-S261 PolarHBondContact O-N 2.99Å; A257-S261 VanDerWaalsContact O-N 3.08Å
258Y85.6Confident87.2Confident67 Ų6781.1 Ų81.126%0.26342%0.424SS..Hα-helixtrans-61.1-49.6174171.8-105.1000111.4I229 L232 N233 K254 A255 R256 E260 S261 L262I229-Y258 WeakPolarHBondContact CG2-OH 3.47Å; L232-Y258 HydrophobicContact CD2-CD1 4.1Å; L232-Y258 HydrophobicContact CD2-CE1 3.82Å; N233-Y258 PolarHBondContact OD1-OH 3.06Å; K254-Y258 WeakPolarHBondContact O-CB 3.46Å; K254-Y258 PolarHBondContact O-N 2.86Å; A255-Y258 PolarHBondContact O-N 2.98Å; R256-Y258 VanDerWaalsContact C-N 3.28Å; R256-Y258 PolarHBondContact O-N 3.27Å; Y258-E260 PolarHBondContact O-N 3.32Å; Y258-S261 WeakPolarHBondContact O-CB 3.45Å; Y258-S261 PolarHBondContact O-N 3.1Å; Y258-S261 PolarHBondContact O-OG 3.08Å; Y258-L262 HydrophobicContact CE1-CD1 3.98Å; Y258-L262 HydrophobicContact CE1-CG 4.5Å; Y258-L262 HydrophobicContact CE2-CD2 4.27Å
259L86.5Confident88Confident7 Ų777.4 Ų77.44%0.03741%0.413CS..Hα-helixtrans-64.7-37.9179.8-73.3175.1000112.7L195 L232 L236 F247 I250 A255 R256 S261 L262 F291L195-L259 HydrophobicContact CD1-CD1 3.95Å; L195-L259 HydrophobicContact CD2-CD1 3.55Å; L195-L259 HydrophobicContact CD2-CD2 4.32Å; L195-L259 HydrophobicContact CD2-CG 3.93Å; L195-L259 HydrophobicContact CG-CD1 4.39Å; L232-L259 HydrophobicContact CD1-CD2 4.3Å; L232-L259 HydrophobicContact CD2-CD2 3.89Å; L232-L259 HydrophobicContact CG-CD2 4.22Å; L236-L259 HydrophobicContact CD1-CD2 3.48Å; L236-L259 VanDerWaalsContact CD1-CD2 3.48Å; F247-L259 HydrophobicContact CD1-CB 4.3Å; F247-L259 HydrophobicContact CE1-CB 3.36Å; F247-L259 HydrophobicContact CE1-CD1 4.25Å; F247-L259 HydrophobicContact CE1-CG 4.47Å; F247-L259 HydrophobicContact CZ-CB 4.05Å; I250-L259 HydrophobicContact CD1-CD1 3.34Å; A255-L259 WeakPolarHBondContact O-CG 2.8Å; A255-L259 PolarHBondContact O-N 3.04Å; R256-L259 PolarHBondContact O-N 3.44Å; R256-L259 VanDerWaalsContact O-N 3.13Å; L259-S261 PolarHBondContact O-N 3.25Å; L259-L262 HydrophobicContact CD2-CD1 4.18Å; L259-L262 WeakPolarHBondContact O-CB 3.05Å; L259-L262 PolarHBondContact O-N 3.39Å; L259-F291 HydrophobicContact CD1-CZ 4.38Å
260E87.9Confident88.7Confident122 Ų12274.8 Ų74.857%0.5740%0.395SS*.Hα-helixtrans-65.5-28.1174.9-73.1173.2166.700112.5F247 R256 Y258 L262F247-E260 HydrophobicContact CD1-CG 4.04Å; F247-E260 HydrophobicContact CE1-CG 3.75Å; F247-E260 HydrophobicContact CZ-CG 4.31Å; R256-E260 WeakPolarHBondContact O-CG 3.42Å; R256-E260 PolarHBondContact O-N 3.4Å; Y258-E260 PolarHBondContact O-N 3.32Å; E260-L262 VanDerWaalsContact C-N 3.27Å; E260-L262 PolarHBondContact O-N 3.01Å
261S90.2Very high89.6Confident87 Ų8778.9 Ų78.961%0.60842%0.416SS*.THydrogen-bonded Turntrans-75.1-15.3176.979.30000113.7A257 Y258 L259A257-S261 PolarHBondContact O-N 2.99Å; A257-S261 VanDerWaalsContact O-N 3.08Å; Y258-S261 WeakPolarHBondContact O-CB 3.45Å; Y258-S261 PolarHBondContact O-N 3.1Å; Y258-S261 PolarHBondContact O-OG 3.08Å; L259-S261 PolarHBondContact O-N 3.25Å
262L89.9Confident90.5Very high37 Ų3780.3 Ų80.319%0.19442%0.416CS..SBendtrans-76.5144.1-178.4-63.6177.1000111.7L236 Y258 L259 E260L236-L262 HydrophobicContact CD1-CD1 3.59Å; Y258-L262 HydrophobicContact CE1-CD1 3.98Å; Y258-L262 HydrophobicContact CE1-CG 4.5Å; Y258-L262 HydrophobicContact CE2-CD2 4.27Å; L259-L262 HydrophobicContact CD2-CD1 4.18Å; L259-L262 WeakPolarHBondContact O-CB 3.05Å; L259-L262 PolarHBondContact O-N 3.39Å; E260-L262 VanDerWaalsContact C-N 3.27Å; E260-L262 PolarHBondContact O-N 3.01Å
263P92Very high91.4Very high93 Ų9380.7 Ų80.760%0.60442%0.417SS*.PPolyproline II helixtrans-56.3142.7171.7-22.732.5000111.5R265P263-R265 PolarHBondContact O-N 2.8Å
264H93.4Very high92.1Very high150 Ų15075.4 Ų75.469%0.69439%0.389SS*.PPolyproline II helixtrans-59.3136.7176.2-178.870000111.3S241S241-H264 WeakPolarHBondContact OG-CA 3.36Å
265R94.7Very high92.9Very high82 Ų8270.5 Ų70.531%0.30938%0.375SS..  trans-128135.2177.1-62.5-178.7-175.7-1291.6110.2L236 G240 S241 P263L236-R265 WeakPolarHBondContact O-CD 3.46Å; G240-R265 CarbonylContact C-O 3.58Å; G240-R265 VanDerWaalsContact CA-O 3.26Å; G240-R265 WeakPolarHBondContact CA-O 3.34Å; S241-R265 PolarHBondContact N-O 3.24Å; S241-R265 PolarHBondContact OG-N 3.48Å; P263-R265 PolarHBondContact O-N 2.8Å
266T96.1Very high93.6Very high115 Ų11580.9 Ų80.971%0.70641%0.413SS*.PPolyproline II helixtrans-83.3141.4171.3-48.70000109.7V268T266-V268 PolarHBondContact O-N 3.46Å
267K97.6Very high94.2Very high83 Ų8378.9 Ų78.936%0.36141%0.409SS..PPolyproline II helixtrans-57.8133.4173.3-176.7178.5172.8800110.3L239 D286L239-K267 WeakPolarHBondContact O-CB 3.47Å; K267-D286 WeakPolarHBondContact CE-OD1 3.29Å; K267-D286 IonicContact NZ-OD1 2.79Å; K267-D286 PolarHBondContact NZ-OD1 2.82Å
268V98.2Very high94.7Very high35 Ų3578.3 Ų78.321%0.21240%0.402CS..PPolyproline II helixtrans-80.9124.2171.7179.80000108.3Q237 V238 T266 W270 Q272 L273Q237-V268 WeakPolarHBondContact O-CG2 3.38Å; V238-V268 PolarHBondContact O-N 3.1Å; T266-V268 PolarHBondContact O-N 3.46Å; V268-W270 PolarHBondContact O-N 2.88Å; V268-Q272 HydrophobicContact CG1-CB 4.41Å; V268-L273 HydrophobicContact CG1-CD1 4.36Å; V268-L273 HydrophobicContact CG1-CD2 4.2Å; V268-L273 HydrophobicContact CG1-CG 4.04Å
269P98.2Very high95.3Very high70 Ų7083.3 Ų83.346%0.45543%0.428SS..PPolyproline II helixtrans-61.1134.5176.3-23.434.3000111.6I271 Q272P269-I271 HydrophobicContact CB-CG2 4.1Å; P269-I271 PolarHBondContact O-N 3.4Å; P269-Q272 VanDerWaalsContact O-CB 3.3Å; P269-Q272 WeakPolarHBondContact O-CB 2.88Å; P269-Q272 PolarHBondContact O-N 2.93Å
270W98.5Very high95.9Very high16 Ų1685 Ų856%0.06144%0.441CS..Hα-helixtrans-59.2-34.6-178.5-64.5121.9000113.5L222 V238 L239 V268 Q272 L273 Y274 L282 L285 D286 L289L222-W270 HydrophobicContact CD2-CH2 4.35Å; L222-W270 HydrophobicContact CD2-CZ3 4.21Å; V238-W270 HydrophobicContact CG1-CE3 4.29Å; V238-W270 HydrophobicContact CG1-CH2 3.61Å; V238-W270 HydrophobicContact CG1-CZ3 3.47Å; V238-W270 VanDerWaalsContact CG1-CZ3 3.47Å; L239-W270 HydrophobicContact CD2-CH2 3.83Å; L239-W270 HydrophobicContact CD2-CZ2 3.59Å; V268-W270 PolarHBondContact O-N 2.88Å; W270-Q272 PolarHBondContact O-N 2.84Å; W270-L273 HydrophobicContact CE3-CD1 3.94Å; W270-L273 HydrophobicContact CZ3-CD1 3.98Å; W270-L273 PolarHBondContact O-N 2.96Å; W270-Y274 HydrophobicContact CE3-CD2 4.28Å; W270-Y274 AromaticContact CE3-CE2 3.79Å; W270-Y274 HydrophobicContact CE3-CE2 3.79Å; W270-Y274 HydrophobicContact CZ3-CE2 4.19Å; W270-Y274 PolarHBondContact O-N 3.18Å; W270-L282 HydrophobicContact CB-CB 4.17Å; W270-L282 HydrophobicContact CB-CD2 3.67Å; W270-L282 HydrophobicContact CB-CG 4.32Å; W270-L285 HydrophobicContact CD2-CD2 4.11Å; W270-L285 HydrophobicContact CE3-CD2 3.92Å; W270-L285 HydrophobicContact CZ3-CD2 4.27Å; W270-D286 PolarHBondContact NE1-OD1 3.14Å; W270-L289 HydrophobicContact CH2-CB 4.26Å; W270-L289 HydrophobicContact CH2-CD1 3.52Å; W270-L289 HydrophobicContact CZ2-CB 4.03Å; W270-L289 HydrophobicContact CZ2-CD1 4.03Å; W270-L289 HydrophobicContact CZ3-CD1 4.23Å
271I98.2Very high96.4Very high93 Ų9379.2 Ų79.248%0.47741%0.414SS..Hα-helixtrans-60-26.6176.8-166.763.6000112.8P269 Y274 P275 L282P269-I271 HydrophobicContact CB-CG2 4.1Å; P269-I271 PolarHBondContact O-N 3.4Å; I271-Y274 CarbonylContact O-C 3.55Å; I271-P275 WeakPolarHBondContact O-CA 3.37Å; I271-L282 HydrophobicContact CB-CD1 4.07Å; I271-L282 HydrophobicContact CD1-CD1 3.69Å; I271-L282 HydrophobicContact CG1-CD1 4.49Å
272Q98Very high96.8Very high142 Ų14275.8 Ų75.866%0.66439%0.388SS*.Hα-helixtrans-72.9-33.2175-172.8179-5.300111.7V268 P269 W270V268-Q272 HydrophobicContact CG1-CB 4.41Å; P269-Q272 VanDerWaalsContact O-CB 3.3Å; P269-Q272 WeakPolarHBondContact O-CB 2.88Å; P269-Q272 PolarHBondContact O-N 2.93Å; W270-Q272 PolarHBondContact O-N 2.84Å
273L97.9Very high97.2Very high68 Ų6877.5 Ų77.536%0.35640%0.398SS..Hα-helixtrans-82.6-34.8177.7-62.5-179.5000112L222 V238 V268 W270L222-L273 HydrophobicContact CD1-CD1 4.48Å; V238-L273 HydrophobicContact CG1-CD1 3.72Å; V238-L273 HydrophobicContact CG2-CD1 4.36Å; V268-L273 HydrophobicContact CG1-CD1 4.36Å; V268-L273 HydrophobicContact CG1-CD2 4.2Å; V268-L273 HydrophobicContact CG1-CG 4.04Å; W270-L273 HydrophobicContact CE3-CD1 3.94Å; W270-L273 HydrophobicContact CZ3-CD1 3.98Å; W270-L273 PolarHBondContact O-N 2.96Å
274Y98.2Very high97.5Very high14 Ų1473 Ų736%0.05537%0.369CS..  trans-130.167.1-173.9-50.4-66.8000111.2A214 L217 W270 I271 Y276 A277 L282 L285A214-Y274 WeakPolarHBondContact CB-OH 3.3Å; A214-Y274 WeakPolarHBondContact O-CE1 3.43Å; L217-Y274 HydrophobicContact CB-CD1 3.66Å; L217-Y274 HydrophobicContact CB-CE1 3.98Å; L217-Y274 HydrophobicContact CB-CG 4.25Å; L217-Y274 HydrophobicContact CD1-CD1 4.36Å; L217-Y274 HydrophobicContact CD1-CD2 4.34Å; L217-Y274 HydrophobicContact CD1-CG 4.18Å; W270-Y274 HydrophobicContact CE3-CD2 4.28Å; W270-Y274 AromaticContact CE3-CE2 3.79Å; W270-Y274 HydrophobicContact CE3-CE2 3.79Å; W270-Y274 HydrophobicContact CZ3-CE2 4.19Å; W270-Y274 PolarHBondContact O-N 3.18Å; I271-Y274 CarbonylContact O-C 3.55Å; Y274-Y276 PolarHBondContact O-N 3.21Å; Y274-A277 WeakPolarHBondContact O-CB 3.45Å; Y274-A277 PolarHBondContact O-N 2.98Å; Y274-A277 VanDerWaalsContact O-N 3.13Å; Y274-L282 HydrophobicContact CD2-CD2 3.88Å; Y274-L282 HydrophobicContact CG-CD2 4.23Å; Y274-L285 HydrophobicContact CD2-CD2 3.88Å; Y274-L285 HydrophobicContact CE2-CD2 3.58Å
275P97.5Very high97.8Very high76 Ų7665.9 Ų65.949%0.49434%0.336SS..THydrogen-bonded Turntrans-66.4-12.6-171.726.2-35.9000114.9I271I271-P275 WeakPolarHBondContact O-CA 3.37Å
276Y96Very high98Very high228 Ų22864.8 Ų64.889%0.89434%0.336SS*.THydrogen-bonded Turntrans-105.9-1-179.8-53.7-70.8000113.3Y274Y274-Y276 PolarHBondContact O-N 3.21Å
277A97.8Very high98.1Very high17 Ų1762.7 Ų62.714%0.1432%0.317CS..SBendtrans-79.3149.3177.400000110.6L217 Y274 L282L217-A277 HydrophobicContact CD2-CB 3.98Å; Y274-A277 WeakPolarHBondContact O-CB 3.45Å; Y274-A277 PolarHBondContact O-N 2.98Å; Y274-A277 VanDerWaalsContact O-N 3.13Å; A277-L282 HydrophobicContact CB-CD1 4.26Å; A277-L282 HydrophobicContact CB-CD2 3.73Å; A277-L282 HydrophobicContact CB-CG 3.85Å
278S96.8Very high98.2Very high42 Ų4258.8 Ų58.829%0.29430%0.3SS..  trans-67.9155.3173.568.90000111.2S280 A281 L282S278-S280 VanDerWaalsContact C-N 3.26Å; S278-S280 PolarHBondContact O-N 3.15Å; S278-S280 PolarHBondContact OG-OG 3.04Å; S278-S280 VanDerWaalsContact OG-OG 3.1Å; S278-A281 WeakPolarHBondContact O-CB 3.43Å; S278-A281 PolarHBondContact O-N 2.92Å; S278-A281 VanDerWaalsContact O-N 3.14Å; S278-A281 WeakPolarHBondContact OG-CB 3.34Å; S278-A281 PolarHBondContact OG-N 2.92Å; S278-A281 VanDerWaalsContact OG-N 3.12Å; S278-L282 WeakPolarHBondContact O-CG 3.21Å; S278-L282 PolarHBondContact O-N 3.02Å
279E98Very high98.2Very high172 Ų17257.1 Ų57.180%0.80429%0.29SS*.Hα-helixtrans-57.8-40.5174.9-65.7-177.4174.300111.7A281 L282 D283E279-A281 VanDerWaalsContact C-N 3.35Å; E279-A281 PolarHBondContact O-N 3.31Å; E279-L282 PolarHBondContact O-N 3.1Å; E279-D283 VanDerWaalsContact O-CB 3.26Å; E279-D283 WeakPolarHBondContact O-CB 3.39Å; E279-D283 PolarHBondContact O-N 3.23Å
280S98.3Very high98.1Very high44 Ų4455.1 Ų55.131%0.30828%0.277SS..Hα-helixtrans-64.5-35.517756.50000113.1S278 L284 H305S278-S280 VanDerWaalsContact C-N 3.26Å; S278-S280 PolarHBondContact O-N 3.15Å; S278-S280 PolarHBondContact OG-OG 3.04Å; S278-S280 VanDerWaalsContact OG-OG 3.1Å; S280-L284 PolarHBondContact O-N 3.41Å; S280-L284 VanDerWaalsContact O-N 3.07Å; S280-H305 PolarHBondContact O-CE1 3.16Å
281A98.6Very high97.9Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-66.7-44.9174.600000111M213 S278 E279 D283 L284 L285 Y307M213-A281 HydrophobicContact CE-CB 3.94Å; M213-A281 WeakPolarHBondContact CE-O 3.4Å; S278-A281 WeakPolarHBondContact O-CB 3.43Å; S278-A281 PolarHBondContact O-N 2.92Å; S278-A281 VanDerWaalsContact O-N 3.14Å; S278-A281 WeakPolarHBondContact OG-CB 3.34Å; S278-A281 PolarHBondContact OG-N 2.92Å; S278-A281 VanDerWaalsContact OG-N 3.12Å; E279-A281 VanDerWaalsContact C-N 3.35Å; E279-A281 PolarHBondContact O-N 3.31Å; A281-D283 VanDerWaalsContact C-N 3.33Å; A281-L284 PolarHBondContact O-N 3.15Å; A281-L285 WeakPolarHBondContact O-CB 3.33Å; A281-L285 PolarHBondContact O-N 3.25Å; A281-Y307 HydrophobicContact CB-CD2 3.72Å; A281-Y307 HydrophobicContact CB-CE1 4.38Å; A281-Y307 HydrophobicContact CB-CE2 3.42Å; A281-Y307 VanDerWaalsContact CB-CE2 3.42Å; A281-Y307 HydrophobicContact CB-CG 4.33Å
282L98.8Very high97.6Very high14 Ų1451.2 Ų51.27%0.07326%0.257CS..Hα-helixtrans-68.7-34.4-179.7-63.3173.4000112.2W270 I271 Y274 A277 S278 E279 L285 D286W270-L282 HydrophobicContact CB-CB 4.17Å; W270-L282 HydrophobicContact CB-CD2 3.67Å; W270-L282 HydrophobicContact CB-CG 4.32Å; I271-L282 HydrophobicContact CB-CD1 4.07Å; I271-L282 HydrophobicContact CD1-CD1 3.69Å; I271-L282 HydrophobicContact CG1-CD1 4.49Å; Y274-L282 HydrophobicContact CD2-CD2 3.88Å; Y274-L282 HydrophobicContact CG-CD2 4.23Å; A277-L282 HydrophobicContact CB-CD1 4.26Å; A277-L282 HydrophobicContact CB-CD2 3.73Å; A277-L282 HydrophobicContact CB-CG 3.85Å; S278-L282 WeakPolarHBondContact O-CG 3.21Å; S278-L282 PolarHBondContact O-N 3.02Å; E279-L282 PolarHBondContact O-N 3.1Å; L282-L285 PolarHBondContact O-N 3.49Å; L282-D286 PolarHBondContact O-N 3.37Å
283D98.8Very high97.3Very high73 Ų7346.4 Ų46.439%0.3924%0.238SC..Hα-helixtrans-65.5-44.3174.1-178.245.3000111.7E279 A281 D286 K287 H305E279-D283 VanDerWaalsContact O-CB 3.26Å; E279-D283 WeakPolarHBondContact O-CB 3.39Å; E279-D283 PolarHBondContact O-N 3.23Å; A281-D283 VanDerWaalsContact C-N 3.33Å; D283-D286 PolarHBondContact O-N 3.41Å; D283-K287 WeakPolarHBondContact O-CG 3.31Å; D283-K287 PolarHBondContact O-N 2.91Å; D283-K287 IonicContact OD1-NZ 3.8Å; D283-K287 PolarHBondContact OD1-NZ 2.72Å; D283-K287 IonicContact OD2-NZ 3.6Å; D283-K287 PolarHBondContact OD2-NZ 3.32Å; D283-H305 IonicContact OD2-CE1 2.7Å; D283-H305 PolarHBondContact OD2-CE1 2.78Å; D283-H305 VanDerWaalsContact OD2-CE1 3.32Å; D283-H305 IonicContact OD2-NE2 2.83Å; D283-H305 PolarHBondContact OD2-NE2 3.2Å
284L98.9Very high97Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-63.8-42.7172.6-177.453000111.5L125 M213 S280 A281 D286 K287 L288 I297 A302 H305 Y307 L308L125-L284 HydrophobicContact CD2-CD2 3.61Å; M213-L284 HydrophobicContact CE-CB 4.48Å; S280-L284 PolarHBondContact O-N 3.41Å; S280-L284 VanDerWaalsContact O-N 3.07Å; A281-L284 PolarHBondContact O-N 3.15Å; L284-D286 VanDerWaalsContact C-N 3.3Å; L284-D286 PolarHBondContact O-N 2.97Å; L284-K287 PolarHBondContact O-N 3.36Å; L284-L288 HydrophobicContact CD1-CD1 4.35Å; L284-L288 HydrophobicContact CD1-CG 4.13Å; L284-L288 HydrophobicContact CG-CD1 3.97Å; L284-L288 HydrophobicContact CG-CG 4.26Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 3.18Å; L284-I297 HydrophobicContact CD1-CD1 4.05Å; L284-A302 HydrophobicContact CD1-CB 4.21Å; L284-H305 HydrophobicContact CD1-CB 3.92Å; L284-H305 HydrophobicContact CD2-CB 4.3Å; L284-H305 PolarHBondContact N-CE1 3.01Å; L284-Y307 HydrophobicContact CD2-CD1 3.85Å; L284-Y307 HydrophobicContact CD2-CG 4.46Å; L284-L308 HydrophobicContact CD2-CD1 4.31Å; L284-L308 HydrophobicContact CD2-CG 4.28Å
285L98.9Very high96.8Very high0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-59-41.5178.7-177.564.9000111.9G210 M213 A214 L217 W270 Y274 A281 L282 K287 L288 L289G210-L285 VanDerWaalsContact O-CD1 3.29Å; G210-L285 WeakPolarHBondContact O-CD1 3.43Å; M213-L285 HydrophobicContact CB-CD1 4.18Å; M213-L285 HydrophobicContact CE-CB 4.3Å; M213-L285 HydrophobicContact CG-CD1 4.2Å; M213-L285 HydrophobicContact SD-CB 4.08Å; M213-L285 HydrophobicContact SD-CD1 4.07Å; A214-L285 HydrophobicContact CB-CD1 4.11Å; L217-L285 HydrophobicContact CD1-CD2 4.07Å; W270-L285 HydrophobicContact CD2-CD2 4.11Å; W270-L285 HydrophobicContact CE3-CD2 3.92Å; W270-L285 HydrophobicContact CZ3-CD2 4.27Å; Y274-L285 HydrophobicContact CD2-CD2 3.88Å; Y274-L285 HydrophobicContact CE2-CD2 3.58Å; A281-L285 WeakPolarHBondContact O-CB 3.33Å; A281-L285 PolarHBondContact O-N 3.25Å; L282-L285 PolarHBondContact O-N 3.49Å; L285-K287 VanDerWaalsContact C-N 3.34Å; L285-K287 PolarHBondContact O-N 3.41Å; L285-L288 PolarHBondContact O-N 3.37Å; L285-L289 HydrophobicContact CD1-CD1 3.67Å; L285-L289 HydrophobicContact CD1-CG 4.15Å; L285-L289 HydrophobicContact CG-CD1 4.09Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 PolarHBondContact O-N 3.21Å
286D98.8Very high96.8Very high59 Ų5950.5 Ų50.532%0.31626%0.255SS..Hα-helixtrans-61.7-43176.7-16562.7000112K267 W270 L282 D283 L284 L289 C290K267-D286 WeakPolarHBondContact CE-OD1 3.29Å; K267-D286 IonicContact NZ-OD1 2.79Å; K267-D286 PolarHBondContact NZ-OD1 2.82Å; W270-D286 PolarHBondContact NE1-OD1 3.14Å; L282-D286 PolarHBondContact O-N 3.37Å; D283-D286 PolarHBondContact O-N 3.41Å; L284-D286 VanDerWaalsContact C-N 3.3Å; L284-D286 PolarHBondContact O-N 2.97Å; D286-L289 CarbonylContact O-C 3.5Å; D286-L289 PolarHBondContact O-N 3.04Å; D286-C290 PolarHBondContact O-N 2.91Å
287K98.8Very high96.9Very high71 Ų7140.5 Ų40.531%0.30922%0.217SC..Hα-helixtrans-67.3-36.9178-69.3-171.5-172.677.40112.8D283 L284 L285 I297 H305D283-K287 WeakPolarHBondContact O-CG 3.31Å; D283-K287 PolarHBondContact O-N 2.91Å; D283-K287 IonicContact OD1-NZ 3.8Å; D283-K287 PolarHBondContact OD1-NZ 2.72Å; D283-K287 IonicContact OD2-NZ 3.6Å; D283-K287 PolarHBondContact OD2-NZ 3.32Å; L284-K287 PolarHBondContact O-N 3.36Å; L285-K287 VanDerWaalsContact C-N 3.34Å; L285-K287 PolarHBondContact O-N 3.41Å; K287-I297 HydrophobicContact CB-CB 3.99Å; K287-I297 HydrophobicContact CB-CD1 4.07Å; K287-I297 HydrophobicContact CB-CG2 4.1Å; K287-I297 HydrophobicContact CD-CD1 3.86Å; K287-I297 WeakPolarHBondContact O-CG2 3.46Å; K287-I297 PolarHBondContact O-N 3.07Å; K287-H305 PolarHBondContact NZ-NE2 3.35Å; K287-H305 VanDerWaalsContact NZ-NE2 3.13Å
288L98.8Very high96.9Very high0 Ų042.6 Ų42.60%023%0.229CC..Hα-helixtrans-68.2-40.7173.6-69170.3000111.8I206 I209 M213 L284 L285 C290 R296 I297 A302I206-L288 HydrophobicContact CG2-CD2 3.48Å; I206-L288 VanDerWaalsContact CG2-CD2 3.48Å; I209-L288 HydrophobicContact CG2-CD1 4.44Å; M213-L288 HydrophobicContact SD-CD1 3.73Å; L284-L288 HydrophobicContact CD1-CD1 4.35Å; L284-L288 HydrophobicContact CD1-CG 4.13Å; L284-L288 HydrophobicContact CG-CD1 3.97Å; L284-L288 HydrophobicContact CG-CG 4.26Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 3.18Å; L285-L288 PolarHBondContact O-N 3.37Å; L288-C290 VanDerWaalsContact C-N 3.33Å; L288-C290 PolarHBondContact O-N 3.39Å; L288-R296 WeakPolarHBondContact O-CD 3.41Å; L288-R296 VanDerWaalsContact O-CG 3.31Å; L288-R296 WeakPolarHBondContact O-CG 3.5Å; L288-I297 HydrophobicContact CD2-CG2 3.74Å; L288-I297 HydrophobicContact CG-CG2 4.23Å; L288-A302 HydrophobicContact CD2-CB 4.4Å
289L98.6Very high97Very high1 Ų140.7 Ų40.71%0.00522%0.215CC..THydrogen-bonded Turntrans-96.538-178.6-64.8179.2000112.8W207 L222 F223 L239 W270 L285 D286W207-L289 HydrophobicContact CD2-CD2 3.88Å; W207-L289 HydrophobicContact CE3-CD2 3.98Å; W207-L289 HydrophobicContact CG-CD2 4.41Å; W207-L289 HydrophobicContact CH2-CD2 4.26Å; W207-L289 HydrophobicContact CZ2-CD2 4.14Å; W207-L289 HydrophobicContact CZ3-CB 4.31Å; W207-L289 HydrophobicContact CZ3-CD2 4.19Å; L222-L289 HydrophobicContact CD2-CD1 3.5Å; F223-L289 HydrophobicContact CE2-CD2 4.47Å; L239-L289 VanDerWaalsContact CD1-O 3.3Å; L239-L289 WeakPolarHBondContact CD1-O 3.33Å; W270-L289 HydrophobicContact CH2-CB 4.26Å; W270-L289 HydrophobicContact CH2-CD1 3.52Å; W270-L289 HydrophobicContact CZ2-CB 4.03Å; W270-L289 HydrophobicContact CZ2-CD1 4.03Å; W270-L289 HydrophobicContact CZ3-CD1 4.23Å; L285-L289 HydrophobicContact CD1-CD1 3.67Å; L285-L289 HydrophobicContact CD1-CG 4.15Å; L285-L289 HydrophobicContact CG-CD1 4.09Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 PolarHBondContact O-N 3.21Å; D286-L289 CarbonylContact O-C 3.5Å; D286-L289 PolarHBondContact O-N 3.04Å
290C96.1Very high97Very high27 Ų2736.3 Ų36.318%0.18220%0.195CC..  trans-72130.8171.1-1700000110.7D286 L288 R296D286-C290 PolarHBondContact O-N 2.91Å; L288-C290 VanDerWaalsContact C-N 3.33Å; L288-C290 PolarHBondContact O-N 3.39Å; C290-R296 HydrophobicContact CB-CB 3.99Å; C290-R296 HydrophobicContact CB-CG 4.13Å; C290-R296 PolarHBondContact O-NE 3.28Å; C290-R296 PolarHBondContact O-NH2 3.11Å
291F93.7Very high97Very high25 Ų2538.7 Ų38.711%0.1120%0.204CC..SBendtrans-62.8-45.7-179.3-178.4-91.9000112.1P191 L195 L236 L239 P242 D246 I250 L259 R296P191-F291 HydrophobicContact CB-CD2 4.01Å; P191-F291 HydrophobicContact CB-CE2 3.76Å; P191-F291 HydrophobicContact CG-CD2 3.89Å; P191-F291 HydrophobicContact CG-CE2 4.14Å; P191-F291 HydrophobicContact CG-CG 4.47Å; L195-F291 HydrophobicContact CD1-CE1 4.35Å; L195-F291 HydrophobicContact CD1-CE2 4.25Å; L195-F291 HydrophobicContact CD1-CZ 3.58Å; L236-F291 HydrophobicContact CD2-CD2 4.38Å; L236-F291 HydrophobicContact CD2-CE2 3.88Å; L239-F291 HydrophobicContact CD1-CB 4.24Å; P242-F291 HydrophobicContact CB-CD1 4.21Å; P242-F291 HydrophobicContact CB-CE1 3.92Å; P242-F291 HydrophobicContact CB-CZ 4.34Å; P242-F291 HydrophobicContact CG-CD1 4.15Å; P242-F291 HydrophobicContact CG-CD2 4.47Å; P242-F291 HydrophobicContact CG-CE1 3.63Å; P242-F291 HydrophobicContact CG-CE2 3.98Å; P242-F291 HydrophobicContact CG-CZ 3.52Å; D246-F291 HydrophobicContact CB-CD1 4.5Å; I250-F291 HydrophobicContact CD1-CE1 4.25Å; I250-F291 HydrophobicContact CD1-CZ 4.39Å; L259-F291 HydrophobicContact CD1-CZ 4.38Å; F291-R296 PolarHBondContact O-NH2 3.22Å
292V91.8Very high97Very high2 Ų238.7 Ų38.71%0.01220%0.204CC..SBendtrans-81.8120-179.3176.90000109.9D246 T249 S294 R295 R296D246-V292 HydrophobicContact CB-CG2 3.77Å; D246-V292 WeakPolarHBondContact OD1-CG2 3.35Å; T249-V292 HydrophobicContact CG2-CG1 4.38Å; V292-S294 VanDerWaalsContact C-N 3.31Å; V292-S294 WeakPolarHBondContact CG1-OG 3.46Å; V292-S294 PolarHBondContact O-N 2.87Å; V292-R295 HydrophobicContact CB-CB 4.41Å; V292-R295 HydrophobicContact CB-CG 4.43Å; V292-R295 HydrophobicContact CG1-CG 4.18Å; V292-R295 PolarHBondContact O-N 3.2Å; V292-R295 VanDerWaalsContact O-N 3.1Å; V292-R296 PolarHBondContact O-N 2.8Å; V292-R296 VanDerWaalsContact O-N 3.17Å
293P91.8Very high97.1Very high41 Ų4138 Ų3827%0.26620%0.2SC..G310 helixtrans-63.9-31.8-172.823.5-33.6000113.7E192 A203 R295 R296E192-P293 HydrophobicContact CB-CG 4.4Å; E192-P293 HydrophobicContact CG-CB 4.35Å; E192-P293 HydrophobicContact CG-CG 4.26Å; A203-P293 HydrophobicContact CB-CB 3.92Å; P293-R295 VanDerWaalsContact C-N 3.29Å; P293-R295 PolarHBondContact O-N 3.46Å; P293-R296 WeakPolarHBondContact O-CB 3.44Å; P293-R296 PolarHBondContact O-N 3.3Å
294S91.2Very high97Very high105 Ų10536.9 Ų36.973%0.73420%0.201SC*.G310 helixtrans-74.1-17.617855.60000114.1V292V292-S294 VanDerWaalsContact C-N 3.31Å; V292-S294 WeakPolarHBondContact CG1-OG 3.46Å; V292-S294 PolarHBondContact O-N 2.87Å
295R94.8Very high97Very high127 Ų12737.3 Ų37.348%0.47920%0.203SC..G310 helixtrans-101.4-4.7175.1-59.8-165.2-60.5-173.67.5112.6E245 D246 V292 P293E245-R295 IonicContact OE2-NH1 3.24Å; D246-R295 IonicContact OD1-CZ 2.88Å; D246-R295 IonicContact OD1-NH1 2.82Å; D246-R295 IonicContact OD1-NH2 3.14Å; D246-R295 PolarHBondContact OD1-NH2 3.39Å; D246-R295 IonicContact OD2-NH2 2.68Å; V292-R295 HydrophobicContact CB-CB 4.41Å; V292-R295 HydrophobicContact CB-CG 4.43Å; V292-R295 HydrophobicContact CG1-CG 4.18Å; V292-R295 PolarHBondContact O-N 3.2Å; V292-R295 VanDerWaalsContact O-N 3.1Å; P293-R295 VanDerWaalsContact C-N 3.29Å; P293-R295 PolarHBondContact O-N 3.46Å
296R96.9Very high97Very high12 Ų1241.5 Ų41.55%0.04523%0.23CC..SBendtrans-70.4137174.5-163.1176.7-61.5138.95.8108.8E192 A203 I206 L288 C290 F291 V292 P293E192-R296 IonicContact OE1-CZ 3.67Å; E192-R296 IonicContact OE1-NH1 3.38Å; E192-R296 PolarHBondContact OE1-NH1 2.64Å; E192-R296 IonicContact OE1-NH2 3.49Å; E192-R296 PolarHBondContact OE1-NH2 3.27Å; E192-R296 IonicContact OE2-CZ 2.66Å; E192-R296 IonicContact OE2-NH1 2.69Å; E192-R296 IonicContact OE2-NH2 3.4Å; E192-R296 PolarHBondContact OE2-NH2 3.31Å; A203-R296 VanDerWaalsContact C-NH1 3.26Å; A203-R296 HydrophobicContact CB-CB 4.48Å; A203-R296 WeakPolarHBondContact O-CD 3.36Å; A203-R296 PolarHBondContact O-NH1 2.72Å; I206-R296 HydrophobicContact CB-CG 4.4Å; I206-R296 HydrophobicContact CG2-CG 3.9Å; L288-R296 WeakPolarHBondContact O-CD 3.41Å; L288-R296 VanDerWaalsContact O-CG 3.31Å; L288-R296 WeakPolarHBondContact O-CG 3.5Å; C290-R296 HydrophobicContact CB-CB 3.99Å; C290-R296 HydrophobicContact CB-CG 4.13Å; C290-R296 PolarHBondContact O-NE 3.28Å; C290-R296 PolarHBondContact O-NH2 3.11Å; F291-R296 PolarHBondContact O-NH2 3.22Å; V292-R296 PolarHBondContact O-N 2.8Å; V292-R296 VanDerWaalsContact O-N 3.17Å; P293-R296 WeakPolarHBondContact O-CB 3.44Å; P293-R296 PolarHBondContact O-N 3.3Å
297I98.7Very high97Very high18 Ų1839.2 Ų39.29%0.09222%0.217CC..PPolyproline II helixtrans-54.8144-178.1-164.4169.3000111.4I206 L284 K287 L288 D301 A302I206-I297 HydrophobicContact CG2-CG2 3.95Å; I206-I297 WeakPolarHBondContact CG2-O 3.31Å; L284-I297 HydrophobicContact CD1-CD1 4.05Å; K287-I297 HydrophobicContact CB-CB 3.99Å; K287-I297 HydrophobicContact CB-CD1 4.07Å; K287-I297 HydrophobicContact CB-CG2 4.1Å; K287-I297 HydrophobicContact CD-CD1 3.86Å; K287-I297 WeakPolarHBondContact O-CG2 3.46Å; K287-I297 PolarHBondContact O-N 3.07Å; L288-I297 HydrophobicContact CD2-CG2 3.74Å; L288-I297 HydrophobicContact CG-CG2 4.23Å; I297-D301 HydrophobicContact CD1-CB 4.02Å; I297-D301 HydrophobicContact CG1-CB 3.5Å; I297-A302 HydrophobicContact CD1-CB 4.03Å; I297-A302 HydrophobicContact CG1-CB 4.27Å; I297-A302 HydrophobicContact CG2-CB 4.21Å
298T98.3Very high97Very high62 Ų6235.9 Ų35.938%0.3820%0.203SC..PPolyproline II helixtrans-76.6167.5172.768.80000110.5E300 D301 A302T298-E300 VanDerWaalsContact C-N 3.32Å; T298-D301 WeakPolarHBondContact OG1-CB 3.37Å; T298-D301 PolarHBondContact OG1-N 3.3Å; T298-D301 VanDerWaalsContact OG1-N 3.1Å; T298-D301 PolarHBondContact OG1-OD2 3.27Å; T298-A302 VanDerWaalsContact O-CB 3.27Å; T298-A302 WeakPolarHBondContact O-CB 3.46Å; T298-A302 PolarHBondContact O-N 2.68Å
299V98.6Very high97Very high2 Ų243.1 Ų43.11%0.01224%0.236CC..Hα-helixtrans-68-36.5177.362.60000111.2L129 L132 K133 H136 I206 A302 L303L129-V299 HydrophobicContact CB-CG2 4.28Å; L129-V299 HydrophobicContact CD2-CG2 4.05Å; L129-V299 WeakPolarHBondContact O-CG2 3.45Å; L132-V299 HydrophobicContact CB-CG2 4.08Å; L132-V299 HydrophobicContact CD2-CG2 4.44Å; L132-V299 HydrophobicContact CG-CG2 4.33Å; K133-V299 HydrophobicContact CB-CG1 4.21Å; K133-V299 HydrophobicContact CB-CG2 4.01Å; H136-V299 HydrophobicContact CB-CG1 4.34Å; I206-V299 HydrophobicContact CD1-CB 3.84Å; V299-A302 PolarHBondContact O-N 2.87Å; V299-L303 HydrophobicContact CG2-CD1 4.45Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 3.13Å
300E98.4Very high97Very high80 Ų8048.6 Ų48.637%0.37426%0.262SS..Hα-helixtrans-65.3-46.2176.7-63.881.3-179.800111.6T298 A302 L303 A304T298-E300 VanDerWaalsContact C-N 3.32Å; E300-A302 VanDerWaalsContact C-N 3.3Å; E300-A302 PolarHBondContact O-N 3.49Å; E300-L303 PolarHBondContact O-N 2.94Å; E300-A304 PolarHBondContact O-N 3.39Å; E300-A304 VanDerWaalsContact O-N 3.1Å
301D98.7Very high97.1Very high94 Ų9450.5 Ų50.550%0.50327%0.266SS..Hα-helixtrans-67.8-32.4177.6-63.3-38.2000111.8I297 T298 A304 H305I297-D301 HydrophobicContact CD1-CB 4.02Å; I297-D301 HydrophobicContact CG1-CB 3.5Å; T298-D301 WeakPolarHBondContact OG1-CB 3.37Å; T298-D301 PolarHBondContact OG1-N 3.3Å; T298-D301 VanDerWaalsContact OG1-N 3.1Å; T298-D301 PolarHBondContact OG1-OD2 3.27Å; D301-A304 PolarHBondContact O-N 2.97Å; D301-H305 PolarHBondContact O-N 3.45Å
302A98.9Very high97.3Very high0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-67.7-40.1175.600000111.9L129 L284 L288 I297 T298 V299 E300 A304 H305 L308L129-A302 HydrophobicContact CD1-CB 3.89Å; L129-A302 HydrophobicContact CD2-CB 3.96Å; L284-A302 HydrophobicContact CD1-CB 4.21Å; L288-A302 HydrophobicContact CD2-CB 4.4Å; I297-A302 HydrophobicContact CD1-CB 4.03Å; I297-A302 HydrophobicContact CG1-CB 4.27Å; I297-A302 HydrophobicContact CG2-CB 4.21Å; T298-A302 VanDerWaalsContact O-CB 3.27Å; T298-A302 WeakPolarHBondContact O-CB 3.46Å; T298-A302 PolarHBondContact O-N 2.68Å; V299-A302 PolarHBondContact O-N 2.87Å; E300-A302 VanDerWaalsContact C-N 3.3Å; E300-A302 PolarHBondContact O-N 3.49Å; A302-A304 VanDerWaalsContact C-N 3.34Å; A302-H305 WeakPolarHBondContact O-CB 3.49Å; A302-H305 PolarHBondContact O-N 3.31Å; A302-L308 WeakPolarHBondContact O-CD1 3.27Å
303L98.8Very high97.6Very high0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-63-40.5173.8-78163.4000111.8Y126 L129 R130 K133 V299 E300 H305 Y312Y126-L303 HydrophobicContact CD2-CD2 3.79Å; Y126-L303 HydrophobicContact CE2-CD2 3.98Å; L129-L303 HydrophobicContact CB-CD2 3.73Å; L129-L303 HydrophobicContact CB-CG 3.88Å; R130-L303 HydrophobicContact CB-CD2 4.49Å; K133-L303 HydrophobicContact CB-CD1 3.99Å; K133-L303 HydrophobicContact CD-CD1 3.72Å; K133-L303 HydrophobicContact CG-CD1 4.32Å; V299-L303 HydrophobicContact CG2-CD1 4.45Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 3.13Å; E300-L303 PolarHBondContact O-N 2.94Å; L303-H305 PolarHBondContact O-N 3.21Å; L303-Y312 VanDerWaalsContact C-CD2 3.42Å; L303-Y312 HydrophobicContact CB-CD2 3.98Å; L303-Y312 HydrophobicContact CB-CE2 4.07Å; L303-Y312 WeakPolarHBondContact O-CD2 3.41Å
304A98.7Very high97.8Very high48 Ų4858 Ų5840%0.39730%0.302SS..THydrogen-bonded Turntrans-74.90.9177.100000114.4E300 D301 A302 Y312E300-A304 PolarHBondContact O-N 3.39Å; E300-A304 VanDerWaalsContact O-N 3.1Å; D301-A304 PolarHBondContact O-N 2.97Å; A302-A304 VanDerWaalsContact C-N 3.34Å; A304-Y312 HydrophobicContact CB-CE1 4.03Å; A304-Y312 HydrophobicContact CB-CE2 3.94Å
305H98.9Very high98.1Very high9 Ų959.2 Ų59.24%0.04231%0.305CS..SBendtrans-70143.2-176.3-164.5-89.9000111.7S280 D283 L284 K287 D301 A302 L303 Y307 L308 E309S280-H305 PolarHBondContact O-CE1 3.16Å; D283-H305 IonicContact OD2-CE1 2.7Å; D283-H305 PolarHBondContact OD2-CE1 2.78Å; D283-H305 VanDerWaalsContact OD2-CE1 3.32Å; D283-H305 IonicContact OD2-NE2 2.83Å; D283-H305 PolarHBondContact OD2-NE2 3.2Å; L284-H305 HydrophobicContact CD1-CB 3.92Å; L284-H305 HydrophobicContact CD2-CB 4.3Å; L284-H305 PolarHBondContact N-CE1 3.01Å; K287-H305 PolarHBondContact NZ-NE2 3.35Å; K287-H305 VanDerWaalsContact NZ-NE2 3.13Å; D301-H305 PolarHBondContact O-N 3.45Å; A302-H305 WeakPolarHBondContact O-CB 3.49Å; A302-H305 PolarHBondContact O-N 3.31Å; L303-H305 PolarHBondContact O-N 3.21Å; H305-Y307 PolarHBondContact ND1-N 3.46Å; H305-Y307 PolarHBondContact O-N 2.85Å; H305-L308 PolarHBondContact O-N 3.47Å; H305-E309 PolarHBondContact O-N 2.87Å
306P98.6Very high98.2Very high88 Ų8857 Ų5757%0.57130%0.303SS*.G310 helixtrans-54.3-21.5179-29.935.7000115.9L308P306-L308 VanDerWaalsContact C-N 3.26Å; P306-L308 PolarHBondContact O-N 3.46Å
307Y98.8Very high98.3Very high12 Ų1256.7 Ų56.75%0.04730%0.302CS..G310 helixtrans-69.5-24.5175.7-177.7-114.1000113.1N118 C122 L125 M213 A281 L284 H305N118-Y307 PolarHBondContact OD1-OH 2.88Å; C122-Y307 HydrophobicContact CB-CE1 4.1Å; C122-Y307 PolarHBondContact SG-O 2.89Å; L125-Y307 HydrophobicContact CD2-CD1 3.99Å; L125-Y307 HydrophobicContact CD2-CE1 3.86Å; M213-Y307 HydrophobicContact CE-CD1 4.22Å; M213-Y307 HydrophobicContact CE-CE1 3.91Å; A281-Y307 HydrophobicContact CB-CD2 3.72Å; A281-Y307 HydrophobicContact CB-CE1 4.38Å; A281-Y307 HydrophobicContact CB-CE2 3.42Å; A281-Y307 VanDerWaalsContact CB-CE2 3.42Å; A281-Y307 HydrophobicContact CB-CG 4.33Å; L284-Y307 HydrophobicContact CD2-CD1 3.85Å; L284-Y307 HydrophobicContact CD2-CG 4.46Å; H305-Y307 PolarHBondContact ND1-N 3.46Å; H305-Y307 PolarHBondContact O-N 2.85Å
308L98.7Very high98.2Very high0 Ų058.5 Ų58.50%032%0.315CS..G310 helixtrans-109.58.1-178.1-57.3-177.6000112.6L125 L129 L284 A302 H305 P306 Q310 Y311 Y312L125-L308 HydrophobicContact CB-CD2 4.41Å; L125-L308 HydrophobicContact CD2-CD2 4.26Å; L125-L308 HydrophobicContact CG-CD2 4.37Å; L129-L308 HydrophobicContact CD1-CD1 3.53Å; L284-L308 HydrophobicContact CD2-CD1 4.31Å; L284-L308 HydrophobicContact CD2-CG 4.28Å; A302-L308 WeakPolarHBondContact O-CD1 3.27Å; H305-L308 PolarHBondContact O-N 3.47Å; P306-L308 VanDerWaalsContact C-N 3.26Å; P306-L308 PolarHBondContact O-N 3.46Å; L308-Q310 PolarHBondContact O-N 3.08Å; L308-Y311 PolarHBondContact O-N 3.5Å; L308-Y312 PolarHBondContact O-N 3.24Å
309E98.1Very high98.2Very high152 Ų15259.1 Ų59.171%0.7132%0.318SS*.THydrogen-bonded Turntrans-51.1-37.2-175-177.9179.7-170.400113.2H305 Y311H305-E309 PolarHBondContact O-N 2.87Å; E309-Y311 PolarHBondContact O-N 3.27Å
310Q97.9Very high98.1Very high117 Ų11760.2 Ų60.255%0.54732%0.323SS..THydrogen-bonded Turntrans-66.1-19.6179.868.2179-14.900114.7C122 L308C122-Q310 PolarHBondContact SG-NE2 3.47Å; L308-Q310 PolarHBondContact O-N 3.08Å
311Y98.3Very high97.8Very high66 Ų6664 Ų6426%0.25934%0.341SS..THydrogen-bonded Turntrans-115.8-18.7-178.8-60.3-59.2000113.2C122 Y123 Y126 L308 E309 D313C122-Y311 HydrophobicContact CB-CE2 4.22Å; Y123-Y311 HydrophobicContact CD2-CD1 4.12Å; Y123-Y311 HydrophobicContact CD2-CD2 4.45Å; Y123-Y311 AromaticContact CD2-CE1 3.7Å; Y123-Y311 HydrophobicContact CD2-CE1 3.7Å; Y123-Y311 HydrophobicContact CD2-CE2 4.05Å; Y123-Y311 HydrophobicContact CD2-CG 4.5Å; Y123-Y311 AromaticContact CD2-CZ 3.68Å; Y123-Y311 HydrophobicContact CE2-CE1 4.25Å; Y123-Y311 HydrophobicContact CG-CE1 4.49Å; Y123-Y311 HydrophobicContact CG-CE2 4.44Å; Y126-Y311 HydrophobicContact CD1-CG 4.16Å; Y126-Y311 VanDerWaalsContact CD2-CB 3.47Å; Y126-Y311 HydrophobicContact CD2-CG 4.47Å; Y126-Y311 WeakPolarHBondContact CE2-O 3.18Å; Y126-Y311 VanDerWaalsContact CG-CB 3.5Å; Y126-Y311 HydrophobicContact CG-CD2 4.24Å; Y126-Y311 HydrophobicContact CG-CG 4.05Å; Y126-Y311 VanDerWaalsContact CZ-O 3.29Å; Y126-Y311 PolarHBondContact OH-O 3.35Å; L308-Y311 PolarHBondContact O-N 3.5Å; E309-Y311 PolarHBondContact O-N 3.27Å; Y311-D313 PolarHBondContact O-N 3.14Å; Y311-D313 VanDerWaalsContact O-N 3.14Å
312Y98.3Very high97.4Very high94 Ų9466.1 Ų66.137%0.36935%0.347SS..  trans-61.5116.1-175.9178.4-121.2000111.2L303 A304 L308 P314 E317L303-Y312 VanDerWaalsContact C-CD2 3.42Å; L303-Y312 HydrophobicContact CB-CD2 3.98Å; L303-Y312 HydrophobicContact CB-CE2 4.07Å; L303-Y312 WeakPolarHBondContact O-CD2 3.41Å; A304-Y312 HydrophobicContact CB-CE1 4.03Å; A304-Y312 HydrophobicContact CB-CE2 3.94Å; L308-Y312 PolarHBondContact O-N 3.24Å; Y312-P314 HydrophobicContact CE1-CG 3.84Å; Y312-P314 HydrophobicContact CE2-CG 3.75Å; Y312-P314 VanDerWaalsContact OH-CG 3.3Å; Y312-P314 WeakPolarHBondContact OH-CG 3.27Å; Y312-E317 WeakPolarHBondContact CD2-OE1 3.28Å
313D98.2Very high97.1Very high66 Ų6669.7 Ų69.735%0.35337%0.371SS..  trans-146.897.3174.8-177.2-8.1000108.9Y311 T315 D316 E317Y311-D313 PolarHBondContact O-N 3.14Å; Y311-D313 VanDerWaalsContact O-N 3.14Å; D313-T315 PolarHBondContact O-N 2.71Å; D313-T315 WeakPolarHBondContact OD1-CA 3.3Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 2.68Å; D313-T315 PolarHBondContact OD1-OG1 3.22Å; D313-T315 PolarHBondContact OD2-OG1 3.02Å; D313-D316 HydrophobicContact CB-CB 4.27Å; D313-D316 CarbonylContact O-C 3.59Å; D313-D316 PolarHBondContact O-N 2.89Å; D313-E317 PolarHBondContact N-OE1 3.28Å; D313-E317 WeakPolarHBondContact O-CG 3.5Å; D313-E317 PolarHBondContact O-N 3.1Å
314P96.5Very high96.8Very high66 Ų6670.6 Ų70.643%0.42937%0.374SS..THydrogen-bonded Turntrans-55-24.6178.5-29.337.1000114.7Y312Y312-P314 HydrophobicContact CE1-CG 3.84Å; Y312-P314 HydrophobicContact CE2-CG 3.75Å; Y312-P314 VanDerWaalsContact OH-CG 3.3Å; Y312-P314 WeakPolarHBondContact OH-CG 3.27Å
315T96.8Very high96.1Very high130 Ų13075 Ų7580%0.79839%0.39SS*.THydrogen-bonded Turntrans-81.1-24.5-178.772.10000112.7D313D313-T315 PolarHBondContact O-N 2.71Å; D313-T315 WeakPolarHBondContact OD1-CA 3.3Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 2.68Å; D313-T315 PolarHBondContact OD1-OG1 3.22Å; D313-T315 PolarHBondContact OD2-OG1 3.02Å
316D97.7Very high94.8Very high82 Ų8278.9 Ų78.944%0.43941%0.408SS..SBendtrans-103.217.4172.8-170.732.8000112.4R130 D313 P318R130-D316 PolarHBondContact NE-O 2.7Å; R130-D316 PolarHBondContact NH2-O 2.88Å; R130-D316 IonicContact NH2-OD1 2.67Å; R130-D316 PolarHBondContact NH2-OD1 3.39Å; R130-D316 VanDerWaalsContact NH2-OD1 3.13Å; R130-D316 IonicContact NH2-OD2 3.74Å; D313-D316 HydrophobicContact CB-CB 4.27Å; D313-D316 CarbonylContact O-C 3.59Å; D313-D316 PolarHBondContact O-N 2.89Å; D316-P318 VanDerWaalsContact C-CD 3.49Å; D316-P318 VanDerWaalsContact O-CD 3.25Å; D316-P318 WeakPolarHBondContact O-CD 3.26Å
317E98Very high93.4Very high5 Ų579.4 Ų79.42%0.02340%0.403CS..SBendtrans-117.875.8176.6-72166.1-168.400109.9R130 K133 Y312 D313R130-E317 HydrophobicContact CG-CG 4.16Å; K133-E317 HydrophobicContact CD-CB 3.96Å; K133-E317 WeakPolarHBondContact CE-O 3.22Å; K133-E317 PolarHBondContact NZ-O 2.59Å; K133-E317 IonicContact NZ-OE2 3.33Å; K133-E317 PolarHBondContact NZ-OE2 2.94Å; Y312-E317 WeakPolarHBondContact CD2-OE1 3.28Å; D313-E317 PolarHBondContact N-OE1 3.28Å; D313-E317 WeakPolarHBondContact O-CG 3.5Å; D313-E317 PolarHBondContact O-N 3.1Å
318P97.8Very high92.2Very high56 Ų5683.4 Ų83.436%0.36443%0.43SS..  trans-64.6155.9-171.227.9-36.4000112.3D316D316-P318 VanDerWaalsContact C-CD 3.49Å; D316-P318 VanDerWaalsContact O-CD 3.25Å; D316-P318 WeakPolarHBondContact O-CD 3.26Å
319V97.7Very high91.1Very high74 Ų7484.8 Ų84.845%0.44844%0.438SS..  trans-114.8158.3174.9-65.90000110.1K133 S137 E321K133-V319 HydrophobicContact CG-CG1 4.39Å; S137-V319 WeakPolarHBondContact OG-CA 3.44Å; V319-E321 PolarHBondContact O-N 3.37Å
320F96.2Very high90.4Very high26 Ų2683.2 Ų83.211%0.11443%0.434CS..  trans-79.2111.8170.3-159.6-80.4000109.7R72 M73 Y134 S137 A138 H322 F324R72-F320 VanDerWaalsContact O-CE2 3.29Å; R72-F320 WeakPolarHBondContact O-CE2 3.45Å; M73-F320 HydrophobicContact CG-CD2 4.4Å; M73-F320 HydrophobicContact CG-CE2 4.19Å; Y134-F320 HydrophobicContact CD1-CD2 4.37Å; Y134-F320 HydrophobicContact CE1-CB 4.48Å; Y134-F320 AromaticContact CE1-CD2 3.52Å; Y134-F320 HydrophobicContact CE1-CD2 3.52Å; Y134-F320 HydrophobicContact CE1-CE2 4.26Å; Y134-F320 HydrophobicContact CE1-CG 4.49Å; Y134-F320 HydrophobicContact CE2-CB 4.38Å; Y134-F320 HydrophobicContact CE2-CD2 4.3Å; Y134-F320 AromaticContact CZ-CD2 3.48Å; Y134-F320 VanDerWaalsContact CZ-CD2 3.48Å; Y134-F320 WeakPolarHBondContact OH-CD2 3.48Å; S137-F320 PolarHBondContact OG-N 2.89Å; A138-F320 HydrophobicContact CB-CB 3.56Å; A138-F320 HydrophobicContact CB-CD1 3.94Å; A138-F320 HydrophobicContact CB-CD2 3.96Å; A138-F320 HydrophobicContact CB-CG 3.54Å; F320-H322 HydrophobicContact CD1-CB 4.42Å; F320-H322 WeakPolarHBondContact CD1-O 3.35Å; F320-H322 HydrophobicContact CE1-CB 4.07Å; F320-H322 WeakPolarHBondContact CE1-O 3.45Å; F320-H322 PolarHBondContact O-N 3.39Å; F320-F324 HydrophobicContact CE1-CD1 4.35Å; F320-F324 AromaticContact CE1-CE1 3.76Å; F320-F324 HydrophobicContact CE1-CE1 3.76Å; F320-F324 HydrophobicContact CE1-CZ 4.18Å; F320-F324 HydrophobicContact CE2-CE1 4.45Å; F320-F324 HydrophobicContact CE2-CZ 4.13Å; F320-F324 AromaticContact CZ-CE1 3.62Å; F320-F324 HydrophobicContact CZ-CE1 3.62Å; F320-F324 AromaticContact CZ-CZ 3.74Å; F320-F324 HydrophobicContact CZ-CZ 3.74Å
321E91.7Very high90.1Very high159 Ų15980.4 Ų80.474%0.74342%0.42SS*.SBendtrans-66.9-21.8-172.2-62.6-174.3167.200114.5V319 P323V319-E321 PolarHBondContact O-N 3.37Å; E321-P323 WeakPolarHBondContact O-CD 3.39Å
322H91.8Very high89.9Confident138 Ų13880.8 Ų80.864%0.63943%0.431SS*.SBendtrans-124.679.5-173.4-58.4-36.9000111.7F320 F324F320-H322 HydrophobicContact CD1-CB 4.42Å; F320-H322 WeakPolarHBondContact CD1-O 3.35Å; F320-H322 HydrophobicContact CE1-CB 4.07Å; F320-H322 WeakPolarHBondContact CE1-O 3.45Å; F320-H322 PolarHBondContact O-N 3.39Å; H322-F324 PolarHBondContact O-N 2.77Å
323P92.4Very high89.7Confident76 Ų7679.5 Ų79.549%0.49443%0.427SS..PPolyproline II helixtrans-50.2136.7-176.6-25.231.6000112.3N139 E321 I325N139-P323 HydrophobicContact CB-CB 4Å; E321-P323 WeakPolarHBondContact O-CD 3.39Å; P323-I325 PolarHBondContact O-N 2.92Å
324F91Very high89.6Confident18 Ų1881.8 Ų81.88%0.07944%0.436CS..PPolyproline II helixtrans-68.7136.1180-63.8-35.8000110.8W68 I69 R72 M73 A138 V140 I168 F320 H322W68-F324 HydrophobicContact CH2-CB 3.97Å; W68-F324 AromaticContact CH2-CD1 3.59Å; W68-F324 HydrophobicContact CH2-CD1 3.59Å; W68-F324 HydrophobicContact CH2-CD2 4.08Å; W68-F324 HydrophobicContact CH2-CE1 4.07Å; W68-F324 HydrophobicContact CH2-CE2 4.49Å; W68-F324 AromaticContact CH2-CG 3.61Å; W68-F324 HydrophobicContact CH2-CG 3.61Å; W68-F324 HydrophobicContact CZ3-CB 4.16Å; W68-F324 AromaticContact CZ3-CD1 3.85Å; W68-F324 HydrophobicContact CZ3-CD1 3.85Å; W68-F324 AromaticContact CZ3-CD2 3.53Å; W68-F324 HydrophobicContact CZ3-CD2 3.53Å; W68-F324 HydrophobicContact CZ3-CE1 4.08Å; W68-F324 AromaticContact CZ3-CE2 3.77Å; W68-F324 HydrophobicContact CZ3-CE2 3.77Å; W68-F324 AromaticContact CZ3-CG 3.58Å; W68-F324 HydrophobicContact CZ3-CG 3.58Å; W68-F324 HydrophobicContact CZ3-CZ 4.06Å; I69-F324 HydrophobicContact CG2-CE2 4.42Å; R72-F324 HydrophobicContact CB-CE1 4.03Å; R72-F324 HydrophobicContact CB-CZ 3.71Å; M73-F324 HydrophobicContact CE-CE2 4.09Å; A138-F324 HydrophobicContact CB-CD2 4.27Å; A138-F324 HydrophobicContact CB-CE2 4.22Å; A138-F324 PolarHBondContact O-N 2.69Å; V140-F324 HydrophobicContact CG2-CD2 3.43Å; V140-F324 VanDerWaalsContact CG2-CD2 3.43Å; V140-F324 HydrophobicContact CG2-CE2 3.84Å; I168-F324 HydrophobicContact CD1-CB 3.55Å; I168-F324 HydrophobicContact CD1-CD2 3.86Å; I168-F324 HydrophobicContact CD1-CG 4.18Å; I168-F324 HydrophobicContact CG1-CB 4.25Å; I168-F324 VanDerWaalsContact CG2-O 3.31Å; I168-F324 WeakPolarHBondContact CG2-O 3.48Å; F320-F324 HydrophobicContact CE1-CD1 4.35Å; F320-F324 AromaticContact CE1-CE1 3.76Å; F320-F324 HydrophobicContact CE1-CE1 3.76Å; F320-F324 HydrophobicContact CE1-CZ 4.18Å; F320-F324 HydrophobicContact CE2-CE1 4.45Å; F320-F324 HydrophobicContact CE2-CZ 4.13Å; F320-F324 AromaticContact CZ-CE1 3.62Å; F320-F324 HydrophobicContact CZ-CE1 3.62Å; F320-F324 AromaticContact CZ-CZ 3.74Å; F320-F324 HydrophobicContact CZ-CZ 3.74Å; H322-F324 PolarHBondContact O-N 2.77Å
325I85Confident89.6Confident142 Ų14282.8 Ų82.873%0.72843%0.434SS*.PPolyproline II helixtrans-89.3137169.6-58.4172.4000107.3P323 Q327P323-I325 PolarHBondContact O-N 2.92Å; I325-Q327 PolarHBondContact O-N 3.39Å; I325-Q327 VanDerWaalsContact O-N 3.13Å
326Q71.3Confident89.5Confident89 Ų8976.6 Ų76.642%0.41640%0.396SS..PPolyproline II helixtrans-56.4121.9-179.2-171.8178.222.500110.2I168 D170I168-Q326 HydrophobicContact CB-CB 4.25Å; I168-Q326 HydrophobicContact CB-CG 4.48Å; I168-Q326 HydrophobicContact CG2-CB 4.24Å; D170-Q326 PolarHBondContact OD2-OE1 3.5Å
327Q70.3Confident89.5Confident99 Ų9974.7 Ų74.746%0.46338%0.383SS..PPolyproline II helixtrans-100137.9167.7-62.6-165.6000108.5W68 I325 D329W68-Q327 HydrophobicContact CZ2-CG 4.44Å; I325-Q327 PolarHBondContact O-N 3.39Å; I325-Q327 VanDerWaalsContact O-N 3.13Å; Q327-D329 PolarHBondContact O-N 3.17Å
328P73.4Confident89.5Confident96 Ų9677.5 Ų77.562%0.62340%0.398SS*.PPolyproline II helixtrans-57.5130.2168.222.7-29.6000108.1F331P328-F331 HydrophobicContact CB-CZ 3.99Å; P328-F331 HydrophobicContact CG-CZ 3.92Å; P328-F331 WeakPolarHBondContact O-CE2 2.99Å; P328-F331 WeakPolarHBondContact O-CZ 3.45Å
329D74.5Confident89.4Confident29 Ų2975.8 Ų75.816%0.15539%0.386CS..  trans-126.3-017667.613000112.2Q61 R65 Q327 F331Q61-D329 HydrophobicContact CG-CB 4.5Å; Q61-D329 WeakPolarHBondContact CG-O 3.49Å; Q61-D329 PolarHBondContact NE2-O 2.94Å; Q61-D329 PolarHBondContact NE2-OD1 3.4Å; R65-D329 IonicContact CZ-OD2 3.41Å; R65-D329 IonicContact NE-OD2 4Å; R65-D329 PolarHBondContact NE-OD2 3.1Å; R65-D329 VanDerWaalsContact NH2-CG 3.33Å; R65-D329 IonicContact NH2-OD1 3.13Å; R65-D329 IonicContact NH2-OD2 3.13Å; R65-D329 PolarHBondContact NH2-OD2 3.4Å; Q327-D329 PolarHBondContact O-N 3.17Å; D329-F331 PolarHBondContact O-N 3.46Å
330N84.2Confident89.3Confident120 Ų12072.3 Ų72.364%0.64236%0.364SS*.  trans-82.968.2176-168.527.6000110.7Q57Q57-N330 PolarHBondContact NE2-OD1 3.26Å
331F91.2Very high89.4Confident57 Ų5773.3 Ų73.325%0.2537%0.367CS..  trans-106156.6178.2-61.9-65.5000111.8Q57 P328 D329 K335 L336 L339Q57-F331 WeakPolarHBondContact CG-O 3.39Å; Q57-F331 PolarHBondContact NE2-O 3.24Å; P328-F331 HydrophobicContact CB-CZ 3.99Å; P328-F331 HydrophobicContact CG-CZ 3.92Å; P328-F331 WeakPolarHBondContact O-CE2 2.99Å; P328-F331 WeakPolarHBondContact O-CZ 3.45Å; D329-F331 PolarHBondContact O-N 3.46Å; F331-K335 HydrophobicContact CB-CB 4.06Å; F331-K335 HydrophobicContact CB-CG 4Å; F331-K335 HydrophobicContact CD1-CG 4.2Å; F331-K335 HydrophobicContact CG-CG 4.06Å; F331-L336 HydrophobicContact CB-CD2 4.15Å; F331-L336 HydrophobicContact CB-CG 4Å; F331-L336 HydrophobicContact CD2-CD2 4.31Å; F331-L336 VanDerWaalsContact O-CD1 3.27Å; F331-L336 WeakPolarHBondContact O-CD1 3.22Å; F331-L339 HydrophobicContact CD2-CD1 3.41Å; F331-L339 VanDerWaalsContact CD2-CD1 3.41Å; F331-L339 HydrophobicContact CE2-CD1 3.53Å; F331-L339 HydrophobicContact CG-CD1 4.29Å
332P94.3Very high89.6Confident75 Ų7570.6 Ų70.649%0.48736%0.355SS..  trans-56.3151.8166.4-22.733.5000111.6E334 K335 L336P332-E334 PolarHBondContact O-N 3.31Å; P332-E334 VanDerWaalsContact O-N 3.16Å; P332-K335 PolarHBondContact O-N 3.04Å; P332-L336 PolarHBondContact O-N 2.96Å
333K94.5Very high89.7Confident66 Ų6664.6 Ų64.629%0.28733%0.327SS..Hα-helixtrans-57.3-33.2-175.766.6-178.6-173.5167.50113.2Q57 L336 K337Q57-K333 HydrophobicContact CB-CB 4.28Å; K333-L336 PolarHBondContact O-N 3.36Å; K333-K337 PolarHBondContact O-N 3.28Å
334E95.2Very high89.9Confident115 Ų11561 Ų6154%0.53730%0.303SS..Hα-helixtrans-65.3-42.9178-62.571.7-15700111P332 K337 I338P332-E334 PolarHBondContact O-N 3.31Å; P332-E334 VanDerWaalsContact O-N 3.16Å; E334-K337 PolarHBondContact O-N 3.33Å; E334-I338 WeakPolarHBondContact O-CG1 3.32Å; E334-I338 PolarHBondContact O-N 3.01Å
335K96.1Very high90.1Very high87 Ų8763 Ų6338%0.37831%0.313SS..Hα-helixtrans-70.8-38.1175.7-179.359.9177.8172.30111.2F331 P332 K337 I338 L339F331-K335 HydrophobicContact CB-CB 4.06Å; F331-K335 HydrophobicContact CB-CG 4Å; F331-K335 HydrophobicContact CD1-CG 4.2Å; F331-K335 HydrophobicContact CG-CG 4.06Å; P332-K335 PolarHBondContact O-N 3.04Å; K335-K337 VanDerWaalsContact C-N 3.31Å; K335-K337 PolarHBondContact O-N 3.36Å; K335-I338 WeakPolarHBondContact O-CB 3.19Å; K335-I338 PolarHBondContact O-N 3.43Å; K335-L339 HydrophobicContact CG-CD1 4.26Å; K335-L339 WeakPolarHBondContact O-CG 3.26Å; K335-L339 PolarHBondContact O-N 2.99Å
336L96.2Very high90.5Very high0 Ų059.6 Ų59.60%029%0.291CS..Hα-helixtrans-61.2-39.7173.8-70.2166.9000111.7Q57 Q61 Y64 F331 P332 K333 I338 L339 I340Q57-L336 HydrophobicContact CG-CD1 4.1Å; Q61-L336 HydrophobicContact CB-CD1 3.97Å; Y64-L336 HydrophobicContact CD1-CD2 4.33Å; Y64-L336 HydrophobicContact CG-CD2 4.49Å; F331-L336 HydrophobicContact CB-CD2 4.15Å; F331-L336 HydrophobicContact CB-CG 4Å; F331-L336 HydrophobicContact CD2-CD2 4.31Å; F331-L336 VanDerWaalsContact O-CD1 3.27Å; F331-L336 WeakPolarHBondContact O-CD1 3.22Å; P332-L336 PolarHBondContact O-N 2.96Å; K333-L336 PolarHBondContact O-N 3.36Å; L336-I338 VanDerWaalsContact C-N 3.3Å; L336-I338 PolarHBondContact O-N 3.39Å; L336-L339 PolarHBondContact O-N 3.38Å; L336-I340 WeakPolarHBondContact O-CB 3.47Å; L336-I340 WeakPolarHBondContact O-CD1 3.31Å; L336-I340 WeakPolarHBondContact O-CG1 3.32Å; L336-I340 PolarHBondContact O-N 2.98Å
337K97Very high91.5Very high42 Ų4256.9 Ų56.918%0.18328%0.277CS..Hα-helixtrans-57.4-44.3174.7-171.2178.3-176.3-177.10111.5F54 F90 M93 K333 E334 K335 W341F54-K337 HydrophobicContact CD1-CB 3.8Å; F54-K337 HydrophobicContact CD1-CD 4.09Å; F54-K337 HydrophobicContact CD1-CG 3.62Å; F54-K337 HydrophobicContact CE1-CB 4Å; F54-K337 HydrophobicContact CE1-CD 4.43Å; F54-K337 HydrophobicContact CE1-CG 3.62Å; F54-K337 HydrophobicContact CG-CD 4.19Å; F54-K337 HydrophobicContact CG-CG 4.22Å; F54-K337 HydrophobicContact CZ-CG 4.21Å; F90-K337 HydrophobicContact CE2-CB 4.43Å; F90-K337 HydrophobicContact CE2-CD 4.21Å; F90-K337 HydrophobicContact CE2-CG 3.77Å; F90-K337 HydrophobicContact CZ-CB 4.5Å; F90-K337 HydrophobicContact CZ-CD 4.09Å; F90-K337 HydrophobicContact CZ-CG 4.02Å; F90-K337 PolarHBondContact O-NZ 3.29Å; M93-K337 HydrophobicContact CE-CD 4.49Å; M93-K337 HydrophobicContact CE-CG 3.65Å; M93-K337 WeakPolarHBondContact CE-O 3.27Å; M93-K337 WeakPolarHBondContact O-CE 3.34Å; M93-K337 PolarHBondContact O-NZ 2.83Å; K333-K337 PolarHBondContact O-N 3.28Å; E334-K337 PolarHBondContact O-N 3.33Å; K335-K337 VanDerWaalsContact C-N 3.31Å; K335-K337 PolarHBondContact O-N 3.36Å; K337-W341 PolarHBondContact O-N 3Å
338I97.1Very high92.4Very high63 Ų6355.3 Ų55.332%0.32327%0.267SS..Hα-helixtrans-61.9-49.7176.1-63.1167.1000110.7F90 E334 K335 L336 I340 W341 E342F90-I338 HydrophobicContact CE2-CB 4.48Å; F90-I338 HydrophobicContact CE2-CG1 3.99Å; F90-I338 HydrophobicContact CZ-CG1 3.62Å; E334-I338 WeakPolarHBondContact O-CG1 3.32Å; E334-I338 PolarHBondContact O-N 3.01Å; K335-I338 WeakPolarHBondContact O-CB 3.19Å; K335-I338 PolarHBondContact O-N 3.43Å; L336-I338 VanDerWaalsContact C-N 3.3Å; L336-I338 PolarHBondContact O-N 3.39Å; I338-I340 VanDerWaalsContact C-N 3.32Å; I338-I340 PolarHBondContact O-N 3.26Å; I338-W341 WeakPolarHBondContact O-CB 3.42Å; I338-W341 PolarHBondContact O-N 2.45Å; I338-W341 VanDerWaalsContact O-N 3.14Å; I338-E342 HydrophobicContact CG2-CG 4.36Å; I338-E342 WeakPolarHBondContact CG2-OE1 3.33Å; I338-E342 WeakPolarHBondContact O-CG 3.49Å; I338-E342 PolarHBondContact O-N 2.9Å
339L96.5Very high93.1Very high21 Ų2153.8 Ų53.811%0.1126%0.259CS..Hα-helixtrans-62.7-38.7-178.9-67.9172.1000112.5Y64 F331 K335 L336 E342 E343Y64-L339 HydrophobicContact CD2-CB 3.97Å; Y64-L339 HydrophobicContact CE1-CD1 4.47Å; Y64-L339 HydrophobicContact CE2-CB 3.64Å; F331-L339 HydrophobicContact CD2-CD1 3.41Å; F331-L339 VanDerWaalsContact CD2-CD1 3.41Å; F331-L339 HydrophobicContact CE2-CD1 3.53Å; F331-L339 HydrophobicContact CG-CD1 4.29Å; K335-L339 HydrophobicContact CG-CD1 4.26Å; K335-L339 WeakPolarHBondContact O-CG 3.26Å; K335-L339 PolarHBondContact O-N 2.99Å; L336-L339 PolarHBondContact O-N 3.38Å; L339-E342 PolarHBondContact O-N 3.03Å; L339-E343 VanDerWaalsContact O-CB 3.24Å; L339-E343 WeakPolarHBondContact O-CB 3.34Å; L339-E343 PolarHBondContact O-N 3.33Å
340I96.4Very high93.5Very high0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-63.4-44.9174.6-69162.2000110.4F54 T63 Y64 I67 I96 L336 I338 E343 I344F54-I340 HydrophobicContact CE1-CD1 3.86Å; T63-I340 HydrophobicContact CG2-CD1 4.42Å; Y64-I340 HydrophobicContact CD2-CG1 3.91Å; Y64-I340 HydrophobicContact CG-CG1 4.23Å; I67-I340 HydrophobicContact CD1-CG2 4.23Å; I96-I340 HydrophobicContact CD1-CG2 3.46Å; I96-I340 VanDerWaalsContact CD1-CG2 3.46Å; L336-I340 WeakPolarHBondContact O-CB 3.47Å; L336-I340 WeakPolarHBondContact O-CD1 3.31Å; L336-I340 WeakPolarHBondContact O-CG1 3.32Å; L336-I340 PolarHBondContact O-N 2.98Å; I338-I340 VanDerWaalsContact C-N 3.32Å; I338-I340 PolarHBondContact O-N 3.26Å; I340-E343 PolarHBondContact O-N 3.35Å; I340-I344 HydrophobicContact CG2-CD1 3.76Å; I340-I344 HydrophobicContact CG2-CG1 4.39Å; I340-I344 VanDerWaalsContact O-CG1 3.24Å; I340-I344 WeakPolarHBondContact O-CG1 3.43Å; I340-I344 PolarHBondContact O-N 2.77Å
341W97.1Very high93.1Very high47 Ų4752.3 Ų52.318%0.17825%0.249CC..Hα-helixtrans-58.6-52.1176.4177.5-97.6000111.6T86 T89 F90 M93 K337 I338 E343 I344 Q345T86-W341 HydrophobicContact CG2-CE3 4.44Å; T86-W341 HydrophobicContact CG2-CZ3 4.05Å; T89-W341 WeakPolarHBondContact O-CZ3 3.47Å; F90-W341 HydrophobicContact CB-CD2 4Å; F90-W341 HydrophobicContact CB-CE3 4.33Å; F90-W341 HydrophobicContact CB-CG 4.38Å; F90-W341 HydrophobicContact CB-CZ2 4.27Å; F90-W341 HydrophobicContact CD2-CB 3.67Å; F90-W341 AromaticContact CD2-CD2 3.97Å; F90-W341 HydrophobicContact CD2-CD2 3.97Å; F90-W341 HydrophobicContact CD2-CE3 4.38Å; F90-W341 AromaticContact CD2-CG 3.65Å; F90-W341 HydrophobicContact CD2-CG 3.65Å; F90-W341 HydrophobicContact CE2-CB 4.06Å; F90-W341 HydrophobicContact CE2-CG 4.47Å; F90-W341 HydrophobicContact CG-CG 4.47Å; M93-W341 HydrophobicContact CB-CE3 4.34Å; M93-W341 HydrophobicContact CB-CZ3 4.37Å; M93-W341 HydrophobicContact CE-CB 3.83Å; M93-W341 HydrophobicContact CE-CE3 4.06Å; M93-W341 HydrophobicContact SD-CE3 3.74Å; M93-W341 HydrophobicContact SD-CZ3 4.41Å; K337-W341 PolarHBondContact O-N 3Å; I338-W341 WeakPolarHBondContact O-CB 3.42Å; I338-W341 PolarHBondContact O-N 2.45Å; I338-W341 VanDerWaalsContact O-N 3.14Å; W341-E343 VanDerWaalsContact C-N 3.27Å; W341-E343 PolarHBondContact O-N 3.18Å; W341-I344 PolarHBondContact O-N 2.59Å; W341-Q345 HydrophobicContact CD2-CG 4.44Å; W341-Q345 HydrophobicContact CZ2-CG 4.39Å; W341-Q345 VanDerWaalsContact CZ2-NE2 3.25Å; W341-Q345 WeakPolarHBondContact O-CG 3.33Å; W341-Q345 PolarHBondContact O-N 3.33Å
342E96Very high92Very high102 Ų10253.4 Ų53.448%0.47726%0.26SS..Hα-helixtrans-55.9-43.5178.6-71.7171.2171.800111.6I338 L339 Q345 R346I338-E342 HydrophobicContact CG2-CG 4.36Å; I338-E342 WeakPolarHBondContact CG2-OE1 3.33Å; I338-E342 WeakPolarHBondContact O-CG 3.49Å; I338-E342 PolarHBondContact O-N 2.9Å; L339-E342 PolarHBondContact O-N 3.03Å; E342-Q345 PolarHBondContact O-N 2.79Å; E342-R346 WeakPolarHBondContact O-CB 3.01Å; E342-R346 PolarHBondContact O-N 3.32Å
343E95Very high90.4Very high12 Ų1254.3 Ų54.36%0.05626%0.26CS..Hα-helixtrans-66.2-40179.6-173.257.8-142.400112.4Y64 I67 S71 R72 L339 I340 W341 R346 Y347Y64-E343 HydrophobicContact CE2-CB 4.28Å; I67-E343 HydrophobicContact CG2-CG 3.7Å; S71-E343 PolarHBondContact OG-OE1 3.1Å; R72-E343 IonicContact CZ-OE1 3.45Å; R72-E343 IonicContact CZ-OE2 2.7Å; R72-E343 VanDerWaalsContact NH1-CD 3.33Å; R72-E343 IonicContact NH1-OE1 3.06Å; R72-E343 PolarHBondContact NH1-OE1 3Å; R72-E343 IonicContact NH1-OE2 2.75Å; R72-E343 PolarHBondContact NH1-OE2 3.35Å; R72-E343 IonicContact NH2-OE1 2.69Å; R72-E343 PolarHBondContact NH2-OE1 2.97Å; R72-E343 IonicContact NH2-OE2 2.89Å; R72-E343 PolarHBondContact NH2-OE2 3.41Å; L339-E343 VanDerWaalsContact O-CB 3.24Å; L339-E343 WeakPolarHBondContact O-CB 3.34Å; L339-E343 PolarHBondContact O-N 3.33Å; I340-E343 PolarHBondContact O-N 3.35Å; W341-E343 VanDerWaalsContact C-N 3.27Å; W341-E343 PolarHBondContact O-N 3.18Å; E343-R346 PolarHBondContact O-N 3.15Å; E343-R346 IonicContact OE1-CZ 3.39Å; E343-R346 IonicContact OE1-NE 3.65Å; E343-R346 PolarHBondContact OE1-NE 3.43Å; E343-R346 IonicContact OE1-NH2 3.24Å; E343-R346 PolarHBondContact OE1-NH2 2.86Å; E343-R346 IonicContact OE2-NE 3.49Å; E343-R346 PolarHBondContact OE2-NE 2.88Å; E343-Y347 WeakPolarHBondContact O-CB 3.21Å; E343-Y347 PolarHBondContact O-N 3.47Å
344I95.7Very high88.8Confident0 Ų056.3 Ų56.30%027%0.274CS..Hα-helixtrans-63.2-44.9174.2-68.6169.4000110.6I84 T86 M93 I96 I340 W341 Y347 R348I84-I344 HydrophobicContact CB-CG1 4.37Å; I84-I344 HydrophobicContact CB-CG2 4.39Å; I84-I344 HydrophobicContact CD1-CG1 4.44Å; I84-I344 HydrophobicContact CG2-CD1 3.87Å; I84-I344 HydrophobicContact CG2-CG1 3.76Å; I84-I344 HydrophobicContact CG2-CG2 4.34Å; T86-I344 HydrophobicContact CG2-CD1 4.15Å; T86-I344 HydrophobicContact CG2-CG2 4.05Å; M93-I344 HydrophobicContact SD-CD1 4.39Å; I96-I344 HydrophobicContact CD1-CD1 4.21Å; I96-I344 HydrophobicContact CG1-CD1 4.19Å; I96-I344 HydrophobicContact CG2-CD1 4.18Å; I340-I344 HydrophobicContact CG2-CD1 3.76Å; I340-I344 HydrophobicContact CG2-CG1 4.39Å; I340-I344 VanDerWaalsContact O-CG1 3.24Å; I340-I344 WeakPolarHBondContact O-CG1 3.43Å; I340-I344 PolarHBondContact O-N 2.77Å; W341-I344 PolarHBondContact O-N 2.59Å; I344-Y347 PolarHBondContact O-N 2.91Å; I344-R348 WeakPolarHBondContact O-CG 3.38Å; I344-R348 PolarHBondContact O-N 2.87Å
345Q95.2Very high87Confident62 Ų6254.8 Ų54.829%0.2927%0.269SS..Hα-helixtrans-65.2-40.8178.5-61.5-50.1-37.900112W341 E342 R348 S349W341-Q345 HydrophobicContact CD2-CG 4.44Å; W341-Q345 HydrophobicContact CZ2-CG 4.39Å; W341-Q345 VanDerWaalsContact CZ2-NE2 3.25Å; W341-Q345 WeakPolarHBondContact O-CG 3.33Å; W341-Q345 PolarHBondContact O-N 3.33Å; E342-Q345 PolarHBondContact O-N 2.79Å; Q345-R348 PolarHBondContact O-N 3.47Å; Q345-S349 WeakPolarHBondContact O-CB 3.47Å; Q345-S349 PolarHBondContact O-N 3.3Å; Q345-S349 PolarHBondContact O-OG 2.74Å
346R94.5Very high85Confident69 Ų6955 Ų5526%0.2627%0.274SS..Hα-helixtrans-57.7-49.5172.9-175.7-158.271.881.9-2.9110.9S71 E342 E343 R348 S349 N350S71-R346 PolarHBondContact OG-NH2 2.87Å; S71-R346 VanDerWaalsContact OG-NH2 3.1Å; E342-R346 WeakPolarHBondContact O-CB 3.01Å; E342-R346 PolarHBondContact O-N 3.32Å; E343-R346 PolarHBondContact O-N 3.15Å; E343-R346 IonicContact OE1-CZ 3.39Å; E343-R346 IonicContact OE1-NE 3.65Å; E343-R346 PolarHBondContact OE1-NE 3.43Å; E343-R346 IonicContact OE1-NH2 3.24Å; E343-R346 PolarHBondContact OE1-NH2 2.86Å; E343-R346 IonicContact OE2-NE 3.49Å; E343-R346 PolarHBondContact OE2-NE 2.88Å; R346-R348 PolarHBondContact O-N 3.25Å; R346-S349 PolarHBondContact O-N 3.38Å; R346-N350 PolarHBondContact NH1-ND2 3.32Å; R346-N350 VanDerWaalsContact NH1-ND2 3.11Å; R346-N350 PolarHBondContact O-N 2.66Å
347Y92.3Very high83Confident32 Ų3258.4 Ų58.413%0.12529%0.294CS..Hα-helixtrans-61-46.5-178.1-178.5-104.6000112I81 I84 E343 I344 S349 N350 K351I81-Y347 HydrophobicContact CG2-CE1 3.96Å; I81-Y347 PolarHBondContact O-OH 3.48Å; I84-Y347 HydrophobicContact CD1-CD1 4.03Å; I84-Y347 HydrophobicContact CD1-CG 4.37Å; I84-Y347 HydrophobicContact CG1-CD1 4.07Å; I84-Y347 HydrophobicContact CG1-CE1 4.25Å; E343-Y347 WeakPolarHBondContact O-CB 3.21Å; E343-Y347 PolarHBondContact O-N 3.47Å; I344-Y347 PolarHBondContact O-N 2.91Å; Y347-S349 VanDerWaalsContact C-N 3.34Å; Y347-S349 PolarHBondContact O-N 3.38Å; Y347-N350 PolarHBondContact O-N 3.27Å; Y347-K351 WeakPolarHBondContact O-CB 3.37Å; Y347-K351 PolarHBondContact O-N 2.68Å
348R88.9Confident80.7Confident66 Ų6664 Ų6425%0.24932%0.316CS..Hα-helixtrans-60.9-40.7175.7-71.7175.9177.2179.30.2112.8I84 I344 Q345 R346 K351 T352I84-R348 PolarHBondContact O-NE 2.87Å; I84-R348 VanDerWaalsContact O-NE 3.08Å; I84-R348 PolarHBondContact O-NH2 2.86Å; I344-R348 WeakPolarHBondContact O-CG 3.38Å; I344-R348 PolarHBondContact O-N 2.87Å; Q345-R348 PolarHBondContact O-N 3.47Å; R346-R348 PolarHBondContact O-N 3.25Å; R348-K351 PolarHBondContact O-N 3.26Å; R348-T352 PolarHBondContact O-N 3Å; R348-T352 VanDerWaalsContact O-N 3.1Å; R348-T352 PolarHBondContact O-OG1 3.08Å
349S87.7Confident78.7Confident64 Ų6465 Ų6545%0.44832%0.321SS..Hα-helixtrans-65.7-46.1179.6-57.70000111.4Q345 R346 Y347 K351 T352 I353Q345-S349 WeakPolarHBondContact O-CB 3.47Å; Q345-S349 PolarHBondContact O-N 3.3Å; Q345-S349 PolarHBondContact O-OG 2.74Å; R346-S349 PolarHBondContact O-N 3.38Å; Y347-S349 VanDerWaalsContact C-N 3.34Å; Y347-S349 PolarHBondContact O-N 3.38Å; S349-K351 PolarHBondContact O-N 3.2Å; S349-T352 PolarHBondContact O-N 3.46Å; S349-I353 WeakPolarHBondContact O-CG1 3.37Å; S349-I353 PolarHBondContact O-N 3.24Å; S349-I353 VanDerWaalsContact O-N 3.1Å
350N82.4Confident76.5Confident71 Ų7167.8 Ų67.838%0.3834%0.336SS..Hα-helixtrans-64.3-39.5178.4-76.26.4000112.4R346 Y347 I353 N354R346-N350 PolarHBondContact NH1-ND2 3.32Å; R346-N350 VanDerWaalsContact NH1-ND2 3.11Å; R346-N350 PolarHBondContact O-N 2.66Å; Y347-N350 PolarHBondContact O-N 3.27Å; N350-I353 PolarHBondContact O-N 3.23Å; N350-N354 PolarHBondContact O-N 2.65Å
351K75.1Confident74.2Confident48 Ų4872.2 Ų72.221%0.20936%0.359CS..Hα-helixtrans-60.2-46.2175.3-172.9178.4173.4-174.90111.5H82 D83 Y347 R348 S349 I353 N354 D355H82-K351 PolarHBondContact O-NZ 3.3Å; D83-K351 IonicContact OD2-NZ 2.93Å; D83-K351 PolarHBondContact OD2-NZ 2.68Å; Y347-K351 WeakPolarHBondContact O-CB 3.37Å; Y347-K351 PolarHBondContact O-N 2.68Å; R348-K351 PolarHBondContact O-N 3.26Å; S349-K351 PolarHBondContact O-N 3.2Å; K351-I353 VanDerWaalsContact C-N 3.3Å; K351-I353 PolarHBondContact O-N 3.2Å; K351-N354 PolarHBondContact O-N 3.42Å; K351-D355 PolarHBondContact O-N 3.17Å
352T68.7Low71.9Confident80 Ų8073.9 Ų73.949%0.49137%0.372SS..Hα-helixtrans-58.8-41.7176.9-52.20000111.8R348 S349 I356R348-T352 PolarHBondContact O-N 3Å; R348-T352 VanDerWaalsContact O-N 3.1Å; R348-T352 PolarHBondContact O-OG1 3.08Å; S349-T352 PolarHBondContact O-N 3.46Å; T352-I356 HydrophobicContact CG2-CD1 4.08Å; T352-I356 WeakPolarHBondContact O-CD1 3.21Å; T352-I356 VanDerWaalsContact O-CG1 3.24Å; T352-I356 WeakPolarHBondContact O-CG1 3.38Å; T352-I356 PolarHBondContact O-N 3.03Å; T352-I356 VanDerWaalsContact O-N 3.09Å
353I61Low69.8Low94 Ų9477.6 Ų77.648%0.48238%0.381SS..Hα-helixtrans-63.7-46.1176.9-67.3165.5000110.8S349 N350 K351 D355 I356 V357S349-I353 WeakPolarHBondContact O-CG1 3.37Å; S349-I353 PolarHBondContact O-N 3.24Å; S349-I353 VanDerWaalsContact O-N 3.1Å; N350-I353 PolarHBondContact O-N 3.23Å; K351-I353 VanDerWaalsContact C-N 3.3Å; K351-I353 PolarHBondContact O-N 3.2Å; I353-D355 PolarHBondContact O-N 3.08Å; I353-I356 PolarHBondContact O-N 3.31Å; I353-V357 HydrophobicContact CG2-CG2 4.34Å; I353-V357 VanDerWaalsContact O-CG2 3.22Å; I353-V357 WeakPolarHBondContact O-CG2 3.49Å; I353-V357 PolarHBondContact O-N 2.91Å
354N60.2Low67.7Low108 Ų10885.6 Ų85.658%0.57842%0.416SS*.Hα-helixtrans-64.2-40.8180-72.3-12.5000112.1N350 K351 I356 V357 Y358N350-N354 PolarHBondContact O-N 2.65Å; K351-N354 PolarHBondContact O-N 3.42Å; N354-I356 VanDerWaalsContact C-N 3.34Å; N354-I356 PolarHBondContact O-N 2.99Å; N354-V357 PolarHBondContact O-N 2.95Å; N354-Y358 WeakPolarHBondContact O-CB 3.42Å; N354-Y358 PolarHBondContact O-N 3.21Å
355D58.6Low65.3Low83 Ų8391.8 Ų91.844%0.44445%0.454SS..Hα-helixtrans-62.7-41.1176.2-69.3-22.8000111.2K351 I353 Y358 I359K351-D355 PolarHBondContact O-N 3.17Å; I353-D355 PolarHBondContact O-N 3.08Å; D355-Y358 PolarHBondContact O-N 3.48Å; D355-I359 WeakPolarHBondContact O-CD1 3.48Å; D355-I359 VanDerWaalsContact O-CG1 3.22Å; D355-I359 WeakPolarHBondContact O-CG1 3.38Å; D355-I359 PolarHBondContact O-N 3.13Å
356I53.4Low62.4Low91 Ų9195.7 Ų95.747%0.46749%0.488SS..Hα-helixtrans-64.3-44.7175.5-68.8165.5000111.3T352 I353 N354 Y358 I359 N360T352-I356 HydrophobicContact CG2-CD1 4.08Å; T352-I356 WeakPolarHBondContact O-CD1 3.21Å; T352-I356 VanDerWaalsContact O-CG1 3.24Å; T352-I356 WeakPolarHBondContact O-CG1 3.38Å; T352-I356 PolarHBondContact O-N 3.03Å; T352-I356 VanDerWaalsContact O-N 3.09Å; I353-I356 PolarHBondContact O-N 3.31Å; N354-I356 VanDerWaalsContact C-N 3.34Å; N354-I356 PolarHBondContact O-N 2.99Å; I356-Y358 VanDerWaalsContact C-N 3.34Å; I356-I359 PolarHBondContact O-N 3.28Å; I356-N360 WeakPolarHBondContact O-CB 3.48Å; I356-N360 VanDerWaalsContact O-CG 3.27Å; I356-N360 PolarHBondContact O-N 3.49Å; I356-N360 PolarHBondContact O-ND2 3.4Å
357V53.4Low60.8Low72 Ų7297.1 Ų97.144%0.43650%0.499SS..Hα-helixtrans-62.9-43.1178.5173.90000110.4I353 N354 N360 N361I353-V357 HydrophobicContact CG2-CG2 4.34Å; I353-V357 VanDerWaalsContact O-CG2 3.22Å; I353-V357 WeakPolarHBondContact O-CG2 3.49Å; I353-V357 PolarHBondContact O-N 2.91Å; N354-V357 PolarHBondContact O-N 2.95Å; V357-N360 PolarHBondContact O-N 3.38Å; V357-N361 WeakPolarHBondContact O-CB 3.18Å; V357-N361 PolarHBondContact O-N 2.92Å
358Y49.1Very low59.2Low160 Ų160100.5 Ų100.563%0.62752%0.519SS*.Hα-helixtrans-62-45.9177.3-171.6-98.9000112.1N354 D355 I356 N360 N361 N362N354-Y358 WeakPolarHBondContact O-CB 3.42Å; N354-Y358 PolarHBondContact O-N 3.21Å; D355-Y358 PolarHBondContact O-N 3.48Å; I356-Y358 VanDerWaalsContact C-N 3.34Å; Y358-N360 VanDerWaalsContact C-N 3.34Å; Y358-N360 PolarHBondContact O-N 3.15Å; Y358-N361 PolarHBondContact O-N 2.98Å; Y358-N362 WeakPolarHBondContact CE1-ND2 3.41Å; Y358-N362 PolarHBondContact O-N 3.38Å
359I55.9Low57.5Low83 Ų83102.4 Ų102.443%0.42653%0.534SS..Hα-helixtrans-61.8-42.5176.1-68.3164.6000111.1D355 I356 N362 R363D355-I359 WeakPolarHBondContact O-CD1 3.48Å; D355-I359 VanDerWaalsContact O-CG1 3.22Å; D355-I359 WeakPolarHBondContact O-CG1 3.38Å; D355-I359 PolarHBondContact O-N 3.13Å; I356-I359 PolarHBondContact O-N 3.28Å; I359-N362 PolarHBondContact O-N 3.15Å; I359-R363 WeakPolarHBondContact O-CG 3.46Å; I359-R363 PolarHBondContact O-N 3.01Å
360N50.9Low55.8Low80 Ų80104.6 Ų104.643%0.42854%0.539SS..Hα-helixtrans-69-34.7-179.3-75.4-25.1000112.9I356 V357 Y358 K364I356-N360 WeakPolarHBondContact O-CB 3.48Å; I356-N360 VanDerWaalsContact O-CG 3.27Å; I356-N360 PolarHBondContact O-N 3.49Å; I356-N360 PolarHBondContact O-ND2 3.4Å; V357-N360 PolarHBondContact O-N 3.38Å; Y358-N360 VanDerWaalsContact C-N 3.34Å; Y358-N360 PolarHBondContact O-N 3.15Å; N360-K364 PolarHBondContact O-N 2.73Å
361N48Very low54.1Low93 Ų93106.8 Ų106.850%0.49755%0.549SS..Hα-helixtrans-70.6-40.2175.4-75.1-15.8000111.5V357 Y358 R363 K364V357-N361 WeakPolarHBondContact O-CB 3.18Å; V357-N361 PolarHBondContact O-N 2.92Å; Y358-N361 PolarHBondContact O-N 2.98Å; N361-R363 VanDerWaalsContact C-N 3.34Å; N361-R363 PolarHBondContact O-N 3.21Å; N361-K364 PolarHBondContact O-N 3.18Å
362N48Very low52.7Low82 Ų82110.7 Ų110.744%0.43957%0.572SS.*Hα-helixtrans-72.1-24.8177.1-74.9-22.8000113.7Y358 I359 K364Y358-N362 WeakPolarHBondContact CE1-ND2 3.41Å; Y358-N362 PolarHBondContact O-N 3.38Å; I359-N362 PolarHBondContact O-N 3.15Å; N362-K364 VanDerWaalsContact C-N 3.31Å
363R52.7Low51.6Low179 Ų179112.9 Ų112.968%0.67558%0.577SS**THydrogen-bonded Turntrans-75.2-14.8171.3-78.7-177.1179.5-178.31114.5I359 N361 S366I359-R363 WeakPolarHBondContact O-CG 3.46Å; I359-R363 PolarHBondContact O-N 3.01Å; N361-R363 VanDerWaalsContact C-N 3.34Å; N361-R363 PolarHBondContact O-N 3.21Å; R363-S366 PolarHBondContact O-OG 3.09Å
364K49.1Very low50.8Low180 Ų180114.3 Ų114.378%0.78359%0.585SS**THydrogen-bonded Turntrans-89-8.4175-78.1-175.4176.4-179.20113.3N360 N361 N362N360-K364 PolarHBondContact O-N 2.73Å; N361-K364 PolarHBondContact O-N 3.18Å; N362-K364 VanDerWaalsContact C-N 3.31Å
365V45.3Very low50Low131 Ų131114.8 Ų114.879%0.79459%0.585SS**  trans-106.40.5-179.1-1710000111.8
366S36.1Very low49.3Very low144 Ų144117.7 Ų117.7100%1.00760%0.598SS**  trans-111.30169.958.60000110R363R363-S366 PolarHBondContact O-OG 3.09Å

Retrieved 366 of 366 residues in 746.3 ms (Link to these results)

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