A0A077ZN93_TRITR Loading...

Lipase

AlphaFold DB , UniProt , Accession A0A077ZN93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 533 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
1M65.2Low81.9Confident175 Ų175120.5 Ų120.586%0.86257%0.57SS**  01290-95.5178.5-87.600108.1E18 I20M1-E18 HydrophobicContact CG-CG 4.34Å; M1-E18 HydrophobicContact SD-CG 4.09Å; M1-I20 HydrophobicContact CG-CD1 4.06Å; M1-I20 HydrophobicContact CG-CG1 3.6Å; M1-I20 HydrophobicContact SD-CD1 4.14Å; M1-I20 HydrophobicContact SD-CG1 4.31Å
2G81.9Confident81.8Confident39 Ų39114.3 Ų114.340%0.40256%0.562SS.*EExtended strand (participates in β ladder)trans-122.5144.717600000110.8S19G2-S19 PolarHBondContact N-O 3.32Å; G2-S19 PolarHBondContact O-N 3.25Å
3I86.5Confident81.9Confident120 Ų120107.4 Ų107.462%0.61553%0.528SS*.EExtended strand (participates in β ladder)trans-87.5122.9170.7-59.9176000107.7L5 A16 Y17 I37I3-L5 HydrophobicContact CG2-CD2 4.42Å; I3-A16 HydrophobicContact CG2-CB 4.25Å; I3-Y17 CarbonylContact C-O 3.58Å; I3-Y17 WeakPolarHBondContact CA-O 3.34Å; I3-I37 HydrophobicContact CG1-CD1 4.26Å
4I87.6Confident82.4Confident60 Ų60102.9 Ų102.931%0.30851%0.51SS..EExtended strand (participates in β ladder)trans-110.7127.5177.3-57.9-179.2000108.5Y17 S19I4-Y17 PolarHBondContact N-O 2.69Å; I4-Y17 PolarHBondContact O-N 3.18Å; I4-S19 VanDerWaalsContact CD1-CB 3.42Å; I4-S19 WeakPolarHBondContact CD1-OG 3.46Å
5L89.7Confident82.9Confident107 Ų10797.7 Ų97.756%0.5648%0.482SS*.EExtended strand (participates in β ladder)trans-90.6124.6172.2-57.5-175.7000109.5I3 T14 Y15 A16 V40I3-L5 HydrophobicContact CG2-CD2 4.42Å; L5-T14 HydrophobicContact CB-CG2 4.06Å; L5-Y15 WeakPolarHBondContact CA-O 3.26Å; L5-A16 HydrophobicContact CD2-CB 3.84Å; L5-V40 HydrophobicContact CD2-CG2 3.79Å
6Q86.8Confident83.3Confident88 Ų8891.6 Ų91.641%0.41145%0.452SS..EExtended strand (participates in β ladder)trans-126.8117179.1-174.1171.8-11.600109.7Y15 Y17Q6-Y15 PolarHBondContact N-O 2.86Å; Q6-Y15 PolarHBondContact O-N 3.3Å; Q6-Y17 HydrophobicContact CB-CD2 4.1Å; Q6-Y17 HydrophobicContact CB-CE2 3.92Å
7K87.8Confident83.7Confident143 Ų14389.4 Ų89.462%0.62244%0.438SS*.EExtended strand (participates in β ladder)trans-81.7118.9174.9-169.2173.2-176.4175.60109.8R9 G12K7-R9 PolarHBondContact O-N 3.24Å; K7-G12 WeakPolarHBondContact CE-O 3.29Å
8D82.5Confident84Confident54 Ų5487.9 Ų87.929%0.28943%0.43SS..  trans-74.2117.1171.7174.515.3000109.4R10 S11 G12 I13 Y15D8-R10 PolarHBondContact O-N 3.02Å; D8-R10 WeakPolarHBondContact OD1-CB 3.36Å; D8-R10 PolarHBondContact OD1-N 3.13Å; D8-S11 WeakPolarHBondContact CB-OG 3.49Å; D8-S11 VanDerWaalsContact CG-OG 3.27Å; D8-S11 WeakPolarHBondContact OD2-CB 3.2Å; D8-S11 PolarHBondContact OD2-N 3.02Å; D8-S11 PolarHBondContact OD2-OG 2.78Å; D8-G12 WeakPolarHBondContact O-CA 3.43Å; D8-G12 PolarHBondContact O-N 2.9Å; D8-I13 PolarHBondContact N-O 2.87Å; D8-Y15 HydrophobicContact CB-CD2 4.21Å; D8-Y15 HydrophobicContact CB-CE2 3.95Å
9R79.7Confident84.2Confident251 Ų25183.8 Ų83.895%0.94741%0.411SS*.THydrogen-bonded Turntrans-65.9-22.7-179.9-68-174.7179.3-178.2-0.4113K7K7-R9 PolarHBondContact O-N 3.24Å
10R75.9Confident84.4Confident239 Ų23984.2 Ų84.290%0.90241%0.414SS*.THydrogen-bonded Turntrans-81-42.5-178.9-62.8179.4179.2-179-0.4112.2D8D8-R10 PolarHBondContact O-N 3.02Å; D8-R10 WeakPolarHBondContact OD1-CB 3.36Å; D8-R10 PolarHBondContact OD1-N 3.13Å
11S77.1Confident84.5Confident50 Ų5084.7 Ų84.735%0.3543%0.426SS..THydrogen-bonded Turntrans-99.1-14.1-176.561.10000114.1D8 I13D8-S11 WeakPolarHBondContact CB-OG 3.49Å; D8-S11 VanDerWaalsContact CG-OG 3.27Å; D8-S11 WeakPolarHBondContact OD2-CB 3.2Å; D8-S11 PolarHBondContact OD2-N 3.02Å; D8-S11 PolarHBondContact OD2-OG 2.78Å; S11-I13 PolarHBondContact O-N 3.3Å; S11-I13 WeakPolarHBondContact OG-CB 3.39Å
12G81.3Confident85.7Confident46 Ų4680.6 Ų80.647%0.47440%0.402SS..  trans73.61.3-173.200000113.8K7 D8K7-G12 WeakPolarHBondContact CE-O 3.29Å; D8-G12 WeakPolarHBondContact O-CA 3.43Å; D8-G12 PolarHBondContact O-N 2.9Å
13I83.1Confident86Confident24 Ų2485.6 Ų85.612%0.12341%0.408CS..  trans-85.7135.5-174-60.1178000110.7D8 S11 Y15 R39D8-I13 PolarHBondContact N-O 2.87Å; S11-I13 PolarHBondContact O-N 3.3Å; S11-I13 WeakPolarHBondContact OG-CB 3.39Å; I13-Y15 HydrophobicContact CB-CD2 4.43Å; I13-Y15 HydrophobicContact CB-CE2 3.76Å; I13-Y15 HydrophobicContact CG2-CD1 4.34Å; I13-Y15 HydrophobicContact CG2-CD2 4Å; I13-Y15 HydrophobicContact CG2-CE1 3.94Å; I13-Y15 HydrophobicContact CG2-CE2 3.56Å; I13-Y15 HydrophobicContact CG2-CG 4.37Å; I13-R39 VanDerWaalsContact CD1-CZ 3.4Å; I13-R39 VanDerWaalsContact CD1-NH1 3.34Å; I13-R39 HydrophobicContact CG2-CB 4.48Å; I13-R39 HydrophobicContact CG2-CG 3.46Å; I13-R39 VanDerWaalsContact CG2-CG 3.46Å
14T89.1Confident86.1Confident44 Ų4480.9 Ų80.927%0.2738%0.384SS..EExtended strand (participates in β ladder)trans-91.2123.3169.9-54.20000110.3L5 V40L5-T14 HydrophobicContact CB-CG2 4.06Å; T14-V40 HydrophobicContact CG2-CB 4.23Å; T14-V40 HydrophobicContact CG2-CG2 3.83Å; T14-V40 PolarHBondContact O-N 3.46Å
15Y89.5Confident86.1Confident25 Ų2586.1 Ų86.110%0.09841%0.405CS..EExtended strand (participates in β ladder)trans-107.6146.6176.1-66-82000110.8L5 Q6 D8 I13 L36 G38 R39 T49L5-Y15 WeakPolarHBondContact CA-O 3.26Å; Q6-Y15 PolarHBondContact N-O 2.86Å; Q6-Y15 PolarHBondContact O-N 3.3Å; D8-Y15 HydrophobicContact CB-CD2 4.21Å; D8-Y15 HydrophobicContact CB-CE2 3.95Å; I13-Y15 HydrophobicContact CB-CD2 4.43Å; I13-Y15 HydrophobicContact CB-CE2 3.76Å; I13-Y15 HydrophobicContact CG2-CD1 4.34Å; I13-Y15 HydrophobicContact CG2-CD2 4Å; I13-Y15 HydrophobicContact CG2-CE1 3.94Å; I13-Y15 HydrophobicContact CG2-CE2 3.56Å; I13-Y15 HydrophobicContact CG2-CG 4.37Å; Y15-L36 HydrophobicContact CD1-CD1 3.87Å; Y15-L36 HydrophobicContact CG-CD1 4.21Å; Y15-G38 WeakPolarHBondContact CA-O 3.47Å; Y15-R39 HydrophobicContact CD1-CB 4.32Å; Y15-R39 HydrophobicContact CE1-CB 4.39Å; Y15-T49 HydrophobicContact CD1-CG2 4.04Å; Y15-T49 HydrophobicContact CE1-CG2 4.01Å
16A89.2Confident86Confident0 Ų089.4 Ų89.40%042%0.417CS..EExtended strand (participates in β ladder)trans-104.1127.3175.600000110.3I3 L5 I37 G38 V40 V46I3-A16 HydrophobicContact CG2-CB 4.25Å; L5-A16 HydrophobicContact CD2-CB 3.84Å; A16-I37 PolarHBondContact O-N 2.92Å; A16-G38 PolarHBondContact N-O 3.46Å; A16-G38 PolarHBondContact O-N 2.91Å; A16-V40 HydrophobicContact CB-CG2 4.38Å; A16-V46 HydrophobicContact CB-CB 4.46Å; A16-V46 HydrophobicContact CB-CG1 3.73Å; A16-V46 HydrophobicContact CB-CG2 3.8Å
17Y89.4Confident86Confident54 Ų5490.1 Ų90.121%0.21242%0.419CS..EExtended strand (participates in β ladder)trans-120.1137.6179.7-65.5-93000111.3I3 I4 Q6 R34 R35 L36I3-Y17 CarbonylContact C-O 3.58Å; I3-Y17 WeakPolarHBondContact CA-O 3.34Å; I4-Y17 PolarHBondContact N-O 2.69Å; I4-Y17 PolarHBondContact O-N 3.18Å; Q6-Y17 HydrophobicContact CB-CD2 4.1Å; Q6-Y17 HydrophobicContact CB-CE2 3.92Å; Y17-R34 HydrophobicContact CD1-CB 4.13Å; Y17-R35 CarbonylContact C-O 3.54Å; Y17-R35 VanDerWaalsContact CA-O 3.28Å; Y17-R35 WeakPolarHBondContact CA-O 3.28Å; Y17-L36 HydrophobicContact CD1-CB 4.09Å; Y17-L36 HydrophobicContact CD1-CD1 4.2Å; Y17-L36 HydrophobicContact CE1-CB 3.85Å; Y17-L36 HydrophobicContact CE1-CD1 3.76Å; Y17-L36 HydrophobicContact CE1-CG 4.38Å; Y17-L36 HydrophobicContact CE2-CD1 4.26Å
18E90Very high85.9Confident63 Ų6390.4 Ų90.429%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-81121.1165.8-173.5171.6-134.500107.7M1 R34 R35 I37M1-E18 HydrophobicContact CG-CG 4.34Å; M1-E18 HydrophobicContact SD-CG 4.09Å; E18-R34 CarbonylContact O-C 3.53Å; E18-R34 VanDerWaalsContact O-CA 3.29Å; E18-R34 WeakPolarHBondContact O-CA 3.44Å; E18-R35 HydrophobicContact CB-CB 4.41Å; E18-R35 PolarHBondContact N-O 2.89Å; E18-R35 PolarHBondContact O-N 3.5Å; E18-I37 HydrophobicContact CB-CD1 3.58Å; E18-I37 HydrophobicContact CB-CG1 3.75Å
19S88.4Confident86.1Confident11 Ų1191.9 Ų91.98%0.07743%0.428CS..EExtended strand (participates in β ladder)trans-116.2125.1-175.2-169.70000111.4G2 I4 H33G2-S19 PolarHBondContact N-O 3.32Å; G2-S19 PolarHBondContact O-N 3.25Å; I4-S19 VanDerWaalsContact CD1-CB 3.42Å; I4-S19 WeakPolarHBondContact CD1-OG 3.46Å; S19-H33 WeakPolarHBondContact CA-O 3.48Å
20I87.5Confident86.4Confident90 Ų9084.4 Ų84.446%0.46241%0.414SS..EExtended strand (participates in β ladder)trans-117.6112.5173-58.1174.6000108.1M1 A32 H33M1-I20 HydrophobicContact CG-CD1 4.06Å; M1-I20 HydrophobicContact CG-CG1 3.6Å; M1-I20 HydrophobicContact SD-CD1 4.14Å; M1-I20 HydrophobicContact SD-CG1 4.31Å; I20-A32 CarbonylContact O-C 3.51Å; I20-A32 VanDerWaalsContact O-CA 3.27Å; I20-A32 WeakPolarHBondContact O-CA 3.49Å; I20-H33 PolarHBondContact N-O 3.49Å; I20-H33 PolarHBondContact O-N 3.32Å
21S87.1Confident86.9Confident96 Ų9677.4 Ų77.467%0.67139%0.387SS*.EExtended strand (participates in β ladder)trans-77.8141.4178.1-55.10000111.1R31S21-R31 CarbonylContact C-O 3.53Å; S21-R31 WeakPolarHBondContact CA-O 3.26Å
22Y89.4Confident87.4Confident88 Ų8876.9 Ų76.935%0.34539%0.386SS..EExtended strand (participates in β ladder)trans-143.1156.717471.9-85.1000110.4D24 R31 H33Y22-D24 HydrophobicContact CE2-CB 4.13Å; Y22-R31 HydrophobicContact CD1-CB 4.34Å; Y22-R31 HydrophobicContact CE1-CB 3.73Å; Y22-R31 HydrophobicContact CE2-CB 4.05Å; Y22-R31 PolarHBondContact N-O 3.28Å; Y22-R31 PolarHBondContact O-N 3.18Å; Y22-H33 AromaticContact CD1-CD2 3.55Å; Y22-H33 AromaticContact CD1-NE2 3.99Å; Y22-H33 AromaticContact CE1-CD2 3.39Å; Y22-H33 WeakPolarHBondContact CE1-CD2 3.29Å; Y22-H33 AromaticContact CE1-CG 3.94Å; Y22-H33 AromaticContact CE1-NE2 3.48Å; Y22-H33 WeakPolarHBondContact CE1-NE2 3.46Å; Y22-H33 AromaticContact CZ-NE2 3.84Å
23W89.3Confident87.5Confident144 Ų14480.7 Ų80.755%0.54539%0.391SS..EExtended strand (participates in β ladder)trans-88.6119175.7-176.9-100.9000110.3K25W23-K25 PolarHBondContact O-N 3.11Å
24D86.9Confident87.7Confident21 Ų2185.7 Ų85.711%0.11241%0.409CS..EExtended strand (participates in β ladder)trans-85.1104.6174.7-173.2-30.1000108.8Y22 E26 K27 H28 Q29 R31Y22-D24 HydrophobicContact CE2-CB 4.13Å; D24-E26 VanDerWaalsContact C-N 3.34Å; D24-E26 PolarHBondContact O-N 3.44Å; D24-E26 PolarHBondContact OD1-N 3.36Å; D24-E26 VanDerWaalsContact OD1-N 3.15Å; D24-K27 HydrophobicContact CB-CB 4.38Å; D24-K27 PolarHBondContact O-N 2.91Å; D24-K27 PolarHBondContact OD1-N 3.38Å; D24-K27 VanDerWaalsContact OD1-N 3.12Å; D24-K27 WeakPolarHBondContact OD2-CD 3.22Å; D24-H28 PolarHBondContact O-N 3.08Å; D24-Q29 WeakPolarHBondContact CB-O 3.46Å; D24-Q29 PolarHBondContact N-O 3.28Å; D24-Q29 PolarHBondContact O-N 2.98Å; D24-R31 HydrophobicContact CB-CB 4.43Å; D24-R31 HydrophobicContact CB-CG 3.95Å; D24-R31 VanDerWaalsContact OD2-CD 3.29Å; D24-R31 WeakPolarHBondContact OD2-CD 3.45Å; D24-R31 IonicContact OD2-NE 3.44Å; D24-R31 PolarHBondContact OD2-NE 3.03Å
25K87.9Confident87.6Confident171 Ų17192.3 Ų92.374%0.74343%0.429SS*.THydrogen-bonded Turntrans-67.4-29.8-176-69.6-176.7179.8-179.20113.3W23W23-K25 PolarHBondContact O-N 3.11Å
26E88.6Confident87.4Confident175 Ų17593.1 Ų93.182%0.81843%0.434SS*.THydrogen-bonded Turntrans-76.6-35.3178.7-69.2-177.7170.600111.4D24D24-E26 VanDerWaalsContact C-N 3.34Å; D24-E26 PolarHBondContact O-N 3.44Å; D24-E26 PolarHBondContact OD1-N 3.36Å; D24-E26 VanDerWaalsContact OD1-N 3.15Å
27K87.1Confident87.3Confident104 Ų10496.2 Ų96.245%0.45245%0.45SS..THydrogen-bonded Turntrans-100.23.2-175.3-57.8-177-173169.30114.2D24 Q29 R31D24-K27 HydrophobicContact CB-CB 4.38Å; D24-K27 PolarHBondContact O-N 2.91Å; D24-K27 PolarHBondContact OD1-N 3.38Å; D24-K27 VanDerWaalsContact OD1-N 3.12Å; D24-K27 WeakPolarHBondContact OD2-CD 3.22Å; K27-Q29 HydrophobicContact CB-CG 3.93Å; K27-Q29 PolarHBondContact O-N 2.89Å; K27-Q29 VanDerWaalsContact O-N 3.1Å; K27-R31 VanDerWaalsContact CD-CZ 3.42Å; K27-R31 VanDerWaalsContact CD-NH2 3.25Å
28H85.4Confident87.1Confident148 Ų14893.6 Ų93.669%0.68544%0.44SS*.THydrogen-bonded Turntrans45.740.6-179.1-66.5-84.7000113.9D24D24-H28 PolarHBondContact O-N 3.08Å
29Q86.3Confident87Confident85 Ų8596.6 Ų96.640%0.39745%0.449SS..EExtended strand (participates in β ladder)trans-145.6150.4-177.966.8-174.8-31.800111.9D24 K27 R31D24-Q29 WeakPolarHBondContact CB-O 3.46Å; D24-Q29 PolarHBondContact N-O 3.28Å; D24-Q29 PolarHBondContact O-N 2.98Å; K27-Q29 HydrophobicContact CB-CG 3.93Å; K27-Q29 PolarHBondContact O-N 2.89Å; K27-Q29 VanDerWaalsContact O-N 3.1Å; Q29-R31 HydrophobicContact CG-CG 4.17Å; Q29-R31 PolarHBondContact O-N 3.22Å
30S85.3Confident86.9Confident94 Ų9497.4 Ų97.466%0.65745%0.453SS*.EExtended strand (participates in β ladder)trans-69124.5171.5-61.40000110.3
31R87.8Confident86.6Confident92 Ų9294.9 Ų94.935%0.34744%0.443SS..EExtended strand (participates in β ladder)trans-118.8171.4173.6-69.4-160.7169.6-146.7-10.8110.4S21 Y22 D24 K27 Q29S21-R31 CarbonylContact C-O 3.53Å; S21-R31 WeakPolarHBondContact CA-O 3.26Å; Y22-R31 HydrophobicContact CD1-CB 4.34Å; Y22-R31 HydrophobicContact CE1-CB 3.73Å; Y22-R31 HydrophobicContact CE2-CB 4.05Å; Y22-R31 PolarHBondContact N-O 3.28Å; Y22-R31 PolarHBondContact O-N 3.18Å; D24-R31 HydrophobicContact CB-CB 4.43Å; D24-R31 HydrophobicContact CB-CG 3.95Å; D24-R31 VanDerWaalsContact OD2-CD 3.29Å; D24-R31 WeakPolarHBondContact OD2-CD 3.45Å; D24-R31 IonicContact OD2-NE 3.44Å; D24-R31 PolarHBondContact OD2-NE 3.03Å; K27-R31 VanDerWaalsContact CD-CZ 3.42Å; K27-R31 VanDerWaalsContact CD-NH2 3.25Å; Q29-R31 HydrophobicContact CG-CG 4.17Å; Q29-R31 PolarHBondContact O-N 3.22Å
32A85.8Confident86.2Confident39 Ų39100.4 Ų100.432%0.32246%0.459SS..EExtended strand (participates in β ladder)trans-140.6135.3177.100000111.2I20I20-A32 CarbonylContact O-C 3.51Å; I20-A32 VanDerWaalsContact O-CA 3.27Å; I20-A32 WeakPolarHBondContact O-CA 3.49Å
33H85Confident85.5Confident126 Ų126100.4 Ų100.458%0.58347%0.472SS*.EExtended strand (participates in β ladder)trans-81.7124.1163.8-77.1-62.6000108.6S19 I20 Y22S19-H33 WeakPolarHBondContact CA-O 3.48Å; I20-H33 PolarHBondContact N-O 3.49Å; I20-H33 PolarHBondContact O-N 3.32Å; Y22-H33 AromaticContact CD1-CD2 3.55Å; Y22-H33 AromaticContact CD1-NE2 3.99Å; Y22-H33 AromaticContact CE1-CD2 3.39Å; Y22-H33 WeakPolarHBondContact CE1-CD2 3.29Å; Y22-H33 AromaticContact CE1-CG 3.94Å; Y22-H33 AromaticContact CE1-NE2 3.48Å; Y22-H33 WeakPolarHBondContact CE1-NE2 3.46Å; Y22-H33 AromaticContact CZ-NE2 3.84Å
34R87.1Confident85Confident129 Ų12996.1 Ų96.149%0.48747%0.472SS..EExtended strand (participates in β ladder)trans-113.9125.1178.4-67.4-176-178.8175.43.4110Y17 E18Y17-R34 HydrophobicContact CD1-CB 4.13Å; E18-R34 CarbonylContact O-C 3.53Å; E18-R34 VanDerWaalsContact O-CA 3.29Å; E18-R34 WeakPolarHBondContact O-CA 3.44Å
35R86.1Confident84.9Confident183 Ų183101.6 Ų101.669%0.69150%0.497SS*.EExtended strand (participates in β ladder)trans-109.7127.4172.1-175.8-178.3178.8-1761108.9Y17 E18 I37Y17-R35 CarbonylContact C-O 3.54Å; Y17-R35 VanDerWaalsContact CA-O 3.28Å; Y17-R35 WeakPolarHBondContact CA-O 3.28Å; E18-R35 HydrophobicContact CB-CB 4.41Å; E18-R35 PolarHBondContact N-O 2.89Å; E18-R35 PolarHBondContact O-N 3.5Å; R35-I37 PolarHBondContact O-N 3.29Å
36L86.7Confident84.7Confident42 Ų4296.4 Ų96.422%0.2248%0.48CS..EExtended strand (participates in β ladder)trans-67.2125.8176.1179.865.6000109.6Y15 Y17 T49 G51Y15-L36 HydrophobicContact CD1-CD1 3.87Å; Y15-L36 HydrophobicContact CG-CD1 4.21Å; Y17-L36 HydrophobicContact CD1-CB 4.09Å; Y17-L36 HydrophobicContact CD1-CD1 4.2Å; Y17-L36 HydrophobicContact CE1-CB 3.85Å; Y17-L36 HydrophobicContact CE1-CD1 3.76Å; Y17-L36 HydrophobicContact CE1-CG 4.38Å; Y17-L36 HydrophobicContact CE2-CD1 4.26Å; L36-T49 HydrophobicContact CD1-CG2 4.45Å; L36-T49 HydrophobicContact CD2-CG2 3.89Å; L36-T49 WeakPolarHBondContact CD2-O 3.33Å; L36-T49 HydrophobicContact CG-CG2 4.29Å; L36-G51 VanDerWaalsContact CD2-N 3.31Å
37I85.4Confident84.3Confident65 Ų6591.8 Ų91.833%0.33346%0.463SS..EExtended strand (participates in β ladder)trans-99.2-36.6176.8-47.3174.6000110.4I3 A16 E18 R35 V46 P48I3-I37 HydrophobicContact CG1-CD1 4.26Å; A16-I37 PolarHBondContact O-N 2.92Å; E18-I37 HydrophobicContact CB-CD1 3.58Å; E18-I37 HydrophobicContact CB-CG1 3.75Å; R35-I37 PolarHBondContact O-N 3.29Å; I37-V46 HydrophobicContact CB-CG1 4.48Å; I37-V46 HydrophobicContact CG2-CG1 4.3Å; I37-P48 WeakPolarHBondContact O-CA 3.46Å
38G86.7Confident84.1Confident0 Ų092.1 Ų92.10%048%0.476CS..EExtended strand (participates in β ladder)trans174.3-178-175.600000115.1Y15 A16 V47Y15-G38 WeakPolarHBondContact CA-O 3.47Å; A16-G38 PolarHBondContact N-O 3.46Å; A16-G38 PolarHBondContact O-N 2.91Å; G38-V47 CarbonylContact C-O 3.55Å; G38-V47 WeakPolarHBondContact CA-O 3.39Å
39R87.8Confident83.6Confident125 Ų12587.5 Ų87.547%0.47246%0.458SS..EExtended strand (participates in β ladder)trans-100.4138.8169.4177.8174.7177.6177.81.9109.3I13 Y15 V47 T49I13-R39 VanDerWaalsContact CD1-CZ 3.4Å; I13-R39 VanDerWaalsContact CD1-NH1 3.34Å; I13-R39 HydrophobicContact CG2-CB 4.48Å; I13-R39 HydrophobicContact CG2-CG 3.46Å; I13-R39 VanDerWaalsContact CG2-CG 3.46Å; Y15-R39 HydrophobicContact CD1-CB 4.32Å; Y15-R39 HydrophobicContact CE1-CB 4.39Å; R39-V47 PolarHBondContact N-O 3.49Å; R39-V47 PolarHBondContact O-N 3.33Å; R39-T49 HydrophobicContact CB-CG2 4.18Å
40V85.2Confident82.8Confident29 Ų2988.7 Ų88.718%0.17647%0.467CS..EExtended strand (participates in β ladder)trans-80.3125.5175.1-171.70000109.2L5 T14 A16 E45L5-V40 HydrophobicContact CD2-CG2 3.79Å; T14-V40 HydrophobicContact CG2-CB 4.23Å; T14-V40 HydrophobicContact CG2-CG2 3.83Å; T14-V40 PolarHBondContact O-N 3.46Å; A16-V40 HydrophobicContact CB-CG2 4.38Å; V40-E45 CarbonylContact C-O 3.4Å; V40-E45 WeakPolarHBondContact CA-O 3.45Å
41S81.4Confident81.6Confident36 Ų3686.2 Ų86.225%0.25246%0.456SS..PPolyproline II helixtrans-73.1169.3174.368.10000111.6S43 G44 E45S41-S43 PolarHBondContact O-N 2.77Å; S41-S43 PolarHBondContact OG-N 2.94Å; S41-S43 PolarHBondContact OG-OG 2.78Å; S41-G44 PolarHBondContact O-N 2.88Å; S41-G44 PolarHBondContact OG-N 3.31Å; S41-E45 PolarHBondContact N-O 3.3Å; S41-E45 PolarHBondContact OG-N 3.09Å; S41-E45 PolarHBondContact OG-O 2.79Å
42E78.4Confident80Confident212 Ų21291.2 Ų91.299%0.99148%0.475SS*.THydrogen-bonded Turntrans-62.1-23.7171-67.5178.6177.100112.5G44E42-G44 VanDerWaalsContact C-N 3.33Å
43S75.1Confident77.9Confident89 Ų8994.9 Ų94.962%0.62250%0.497SS*.THydrogen-bonded Turntrans-82.6-3174.257.10000114.4S41S41-S43 PolarHBondContact O-N 2.77Å; S41-S43 PolarHBondContact OG-N 2.94Å; S41-S43 PolarHBondContact OG-OG 2.78Å
44G80.1Confident75.4Confident54 Ų5491.7 Ų91.756%0.55749%0.489SS*.SBendtrans863.1-178.800000115.3S41 E42S41-G44 PolarHBondContact O-N 2.88Å; S41-G44 PolarHBondContact OG-N 3.31Å; E42-G44 VanDerWaalsContact C-N 3.33Å
45E83.1Confident72.7Confident135 Ų13596.6 Ų96.663%0.63151%0.508SS*.  trans-82.6144.2178.1-64.8-178.7158.200111.6V40 S41 V47V40-E45 CarbonylContact C-O 3.4Å; V40-E45 WeakPolarHBondContact CA-O 3.45Å; S41-E45 PolarHBondContact N-O 3.3Å; S41-E45 PolarHBondContact OG-N 3.09Å; S41-E45 PolarHBondContact OG-O 2.79Å; E45-V47 PolarHBondContact O-N 2.97Å
46V84.5Confident70Confident63 Ų6394.6 Ų94.638%0.38250%0.504SS..EExtended strand (participates in β ladder)trans-89.4107.2176.8-179.40000109.6A16 I37A16-V46 HydrophobicContact CB-CB 4.46Å; A16-V46 HydrophobicContact CB-CG1 3.73Å; A16-V46 HydrophobicContact CB-CG2 3.8Å; I37-V46 HydrophobicContact CB-CG1 4.48Å; I37-V46 HydrophobicContact CG2-CG1 4.3Å
47V80.7Confident67.5Low78 Ų7897.4 Ų97.447%0.47353%0.525SS..EExtended strand (participates in β ladder)trans-91.8121.6176.8-176.20000109.5G38 R39 E45 T49G38-V47 CarbonylContact C-O 3.55Å; G38-V47 WeakPolarHBondContact CA-O 3.39Å; R39-V47 PolarHBondContact N-O 3.49Å; R39-V47 PolarHBondContact O-N 3.33Å; E45-V47 PolarHBondContact O-N 2.97Å; V47-T49 PolarHBondContact O-N 3.39Å
48P81.8Confident65.1Low111 Ų111100.8 Ų100.872%0.72154%0.544SS*.  trans-53.1134.9-179.1-27.734.9000113.7I37I37-P48 WeakPolarHBondContact O-CA 3.46Å
49T75.8Confident62.4Low50 Ų50104.3 Ų104.331%0.30757%0.573SS.*  trans-148.4146.9178.5-165.60000110.6Y15 L36 R39 V47 G51Y15-T49 HydrophobicContact CD1-CG2 4.04Å; Y15-T49 HydrophobicContact CE1-CG2 4.01Å; L36-T49 HydrophobicContact CD1-CG2 4.45Å; L36-T49 HydrophobicContact CD2-CG2 3.89Å; L36-T49 WeakPolarHBondContact CD2-O 3.33Å; L36-T49 HydrophobicContact CG-CG2 4.29Å; R39-T49 HydrophobicContact CB-CG2 4.18Å; V47-T49 PolarHBondContact O-N 3.39Å; T49-G51 VanDerWaalsContact C-N 3.31Å
50D69.6Low59.7Low110 Ų110103.3 Ų103.359%0.58858%0.58SS**  trans-89.56-178.667.8-11.8000113.1R52D50-R52 PolarHBondContact O-N 3.19Å; D50-R52 PolarHBondContact OD1-N 3.01Å
51G59.8Low57.2Low42 Ų42110.7 Ų110.743%0.43361%0.61SS.*SBendtrans70.7-5174.400000114.5L36 T49L36-G51 VanDerWaalsContact CD2-N 3.31Å; T49-G51 VanDerWaalsContact C-N 3.31Å
52R54.2Low54.9Low197 Ų197117.8 Ų117.874%0.74363%0.631SS**SBendtrans-80.1128.4164.9-69.1176.8177.3178.4-0.7105.4D50 S54D50-R52 PolarHBondContact O-N 3.19Å; D50-R52 PolarHBondContact OD1-N 3.01Å; R52-S54 PolarHBondContact O-N 2.97Å
53C41.4Very low52.6Low116 Ų116113.2 Ų113.278%0.78462%0.618SS**  trans-64.458.1148.1-71.70000108.2R55C53-R55 PolarHBondContact O-N 3.23Å
54S32.5Very low50.7Low59 Ų59114.6 Ų114.641%0.41361%0.609SS.*  trans-54.5100.6149.6172.60000102.8R52 K56R52-S54 PolarHBondContact O-N 2.97Å; S54-K56 PolarHBondContact O-N 3.45Å
55R29.7Very low48.4Very low232 Ų232123.2 Ų123.288%0.87563%0.625SS**  trans-39.1104.7139.3-85.4178.3166.8162.1-2.7102.6C53 P57C53-R55 PolarHBondContact O-N 3.23Å; R55-P57 VanDerWaalsContact O-N 3.09Å
56K31Very low46.1Very low142 Ų142129.2 Ų129.262%0.61764%0.642SS**  trans-36130.2173.9-76.4177.6160-170.20105.7S54 D58 A59S54-K56 PolarHBondContact O-N 3.45Å; K56-D58 HydrophobicContact CB-CB 3.95Å; K56-D58 HydrophobicContact CD-CB 4.24Å; K56-D58 PolarHBondContact O-N 3.26Å; K56-A59 PolarHBondContact O-N 2.96Å
57P33.8Very low44.2Very low100 Ų100128 Ų12865%0.64964%0.643SS**G310 helixtrans-52.9-11.1158.2-21.732.8000111R55 V60R55-P57 VanDerWaalsContact O-N 3.09Å; P57-V60 WeakPolarHBondContact O-CG2 3.5Å
58D34Very low42.8Very low137 Ų137130 Ų13073%0.73366%0.658SS**G310 helixtrans-91.719.7171.2-42.6-46000115.4K56K56-D58 HydrophobicContact CB-CB 3.95Å; K56-D58 HydrophobicContact CD-CB 4.24Å; K56-D58 PolarHBondContact O-N 3.26Å
59A30.2Very low41.6Very low74 Ų74128.6 Ų128.661%0.61265%0.646SS**G310 helixtrans-120.741.7155.200000109.9K56 K61K56-A59 PolarHBondContact O-N 2.96Å; A59-K61 PolarHBondContact O-N 3.19Å
60V32Very low40.5Very low103 Ų103131.2 Ų131.262%0.62466%0.664SS**  trans-54.7108143175.20000103.8P57 R62P57-V60 WeakPolarHBondContact O-CG2 3.5Å; V60-R62 HydrophobicContact CG1-CG 4.47Å; V60-R62 PolarHBondContact O-N 3.33Å
61K31.2Very low40Very low185 Ų185128.1 Ų128.180%0.80465%0.65SS**  trans-44.896.2147-87.2-180174179.40103.2A59 T63A59-K61 PolarHBondContact O-N 3.19Å; K61-T63 PolarHBondContact O-N 2.98Å
62R33.1Very low40.1Very low184 Ų184132 Ų13269%0.69467%0.665SS**  trans-6581.9166.5-94.6-178.6150.7-179-5.7101.8V60 R64V60-R62 HydrophobicContact CG1-CG 4.47Å; V60-R62 PolarHBondContact O-N 3.33Å; R62-R64 HydrophobicContact CB-CG 4.02Å; R62-R64 PolarHBondContact O-N 3.35Å
63T31.7Very low40.9Very low117 Ų117129.5 Ų129.572%0.71866%0.661SS**  trans-55.981.7141.144.30000102.8K61 R65K61-T63 PolarHBondContact O-N 2.98Å; T63-R65 PolarHBondContact O-N 3.46Å
64R34.5Very low42.7Very low117 Ų117128.6 Ų128.644%0.44265%0.652SS.*  trans-59.291.5173.7-78.6-176.2170159.3-5.3103.3R62 R66R62-R64 HydrophobicContact CB-CG 4.02Å; R62-R64 PolarHBondContact O-N 3.35Å; R64-R66 PolarHBondContact O-N 3.33Å
65R30.9Very low45.1Very low235 Ų235130 Ų13089%0.88765%0.652SS**  trans-54128.2162.1-80.8-171.3172.3-170.6-1.3104.8T63 G67T63-R65 PolarHBondContact O-N 3.46Å; R65-G67 VanDerWaalsContact C-N 3.35Å; R65-G67 PolarHBondContact O-N 2.98Å
66R36Very low48Very low261 Ų261126.2 Ų126.299%0.98564%0.638SS**SBendtrans-64.894.2-172.9-65175177.3-175.4-1.7107.7R64R64-R66 PolarHBondContact O-N 3.33Å
67G43.8Very low51Low39 Ų39120 Ų12040%0.40261%0.612SS.*SBendtrans-162.2155.7177.800000111.1R65R65-G67 VanDerWaalsContact C-N 3.35Å; R65-G67 PolarHBondContact O-N 2.98Å
68P52.7Low53.9Low120 Ų120118.2 Ų118.278%0.77959%0.594SS**PPolyproline II helixtrans-57.5151.7170.721.6-28000110.7
69V55Low56.7Low80 Ų80113.2 Ų113.249%0.48557%0.566SS.*PPolyproline II helixtrans-61.7129.4175.3-179.30000107.4V71V69-V71 PolarHBondContact O-N 3.24Å
70P54.3Low59.9Low105 Ų105109.7 Ų109.768%0.68254%0.536SS*.PPolyproline II helixtrans-59.1127.4179.4-19.529.8000110.2T72P70-T72 PolarHBondContact O-N 3.03Å
71V58.7Low63Low46 Ų46104.9 Ų104.928%0.27951%0.507SS..PPolyproline II helixtrans-64.2128170.5175.20000108V69 Q73 C505 P507V69-V71 PolarHBondContact O-N 3.24Å; V71-Q73 WeakPolarHBondContact CG1-O 3.31Å; V71-C505 HydrophobicContact CB-CB 4.37Å; V71-C505 HydrophobicContact CG1-CB 3.77Å; V71-C505 HydrophobicContact CG2-CB 3.74Å; V71-P507 HydrophobicContact CG1-CG 4.42Å; V71-P507 VanDerWaalsContact O-CA 3.25Å; V71-P507 WeakPolarHBondContact O-CA 3.29Å; V71-P507 VanDerWaalsContact O-CB 3.31Å; V71-P507 WeakPolarHBondContact O-CB 3.36Å
72T61.9Low66.1Low122 Ų12296.2 Ų96.275%0.74847%0.47SS*.  trans-105.1-13.3179.852.70000113.4P70 P507P70-T72 PolarHBondContact O-N 3.03Å; T72-P507 VanDerWaalsContact C-CG 3.48Å
73Q69.8Low69.1Low145 Ų14590 Ų9068%0.67845%0.447SS*.SBendtrans-137.3149-179.4-65.2-175-15.600110.4V71 Q75V71-Q73 WeakPolarHBondContact CG1-O 3.31Å; Q73-Q75 PolarHBondContact O-N 3.42Å
74V79.1Confident72.3Confident98 Ų9884.5 Ų84.559%0.59441%0.412SS*.  trans-68.5120.8171-178.10000108.2V504 C505 E506V74-V504 HydrophobicContact CG1-CG1 4.49Å; V74-C505 VanDerWaalsContact CA-O 3.29Å; V74-C505 WeakPolarHBondContact CA-O 3.36Å; V74-E506 HydrophobicContact CG1-CG 4.27Å; V74-E506 HydrophobicContact CG2-CG 4.14Å
75Q84.7Confident75.3Confident87 Ų8778.9 Ų78.941%0.40739%0.391SS..EExtended strand (participates in β ladder)trans-140.2138.7-179-170.1177.9-4.700110.2Q73 S77 L132 V504 C505Q73-Q75 PolarHBondContact O-N 3.42Å; Q75-S77 PolarHBondContact NE2-OG 3.08Å; Q75-L132 PolarHBondContact NE2-O 3.2Å; Q75-V504 WeakPolarHBondContact O-CA 3.39Å; Q75-C505 PolarHBondContact N-O 2.87Å; Q75-C505 VanDerWaalsContact N-O 3.09Å; Q75-C505 PolarHBondContact O-N 3.12Å
76R90.2Very high78.4Confident154 Ų15469.9 Ų69.958%0.58136%0.361SS*.EExtended strand (participates in β ladder)trans-106.9125.9170.2178.4-179.5-81.5-128.17.3108Q502 S503 V504R76-Q502 HydrophobicContact CG-CB 4.36Å; R76-S503 WeakPolarHBondContact CA-O 3.29Å; R76-V504 HydrophobicContact CB-CG2 4.39Å; R76-V504 HydrophobicContact CG-CG2 4.31Å
77S92.7Very high81.4Confident10 Ų1060.3 Ų60.37%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-140.4150.7-175.8-59.10000111Q75 N133 Q502 S503Q75-S77 PolarHBondContact NE2-OG 3.08Å; S77-N133 CarbonylContact C-O 3.57Å; S77-N133 WeakPolarHBondContact CA-O 3.39Å; S77-Q502 CarbonylContact O-C 3.59Å; S77-Q502 VanDerWaalsContact O-CA 3.29Å; S77-Q502 WeakPolarHBondContact O-CA 3.49Å; S77-S503 PolarHBondContact N-O 3.35Å; S77-S503 PolarHBondContact O-N 3.43Å
78F94.7Very high83.9Confident64 Ų6458.4 Ų58.428%0.28131%0.308SS..EExtended strand (participates in β ladder)trans-61.9133.5166.7-62-60.9000110.1N133 H134 T135 E499 Q502F78-N133 HydrophobicContact CD2-CB 4.06Å; F78-N133 WeakPolarHBondContact CD2-O 3.35Å; F78-N133 HydrophobicContact CE2-CB 4.26Å; F78-N133 PolarHBondContact N-O 2.84Å; F78-H134 AromaticContact CD2-CE1 3.77Å; F78-H134 AromaticContact CD2-NE2 3.98Å; F78-H134 WeakPolarHBondContact O-CA 2.94Å; F78-T135 PolarHBondContact O-N 3.16Å; F78-E499 HydrophobicContact CB-CG 4.28Å; F78-E499 WeakPolarHBondContact CD1-O 3.45Å; F78-E499 HydrophobicContact CG-CG 4.38Å; F78-Q502 HydrophobicContact CD1-CG 3.94Å; F78-Q502 HydrophobicContact CE1-CG 4.19Å
79Y94Very high86Confident32 Ų3252.7 Ų52.713%0.12527%0.271CS..  trans-136-32.7-168.2178.8-122.3000113.2A81 T82 W83 T135 I501 V513 P532Y79-A81 PolarHBondContact O-N 3.02Å; Y79-T82 PolarHBondContact O-N 2.89Å; Y79-T82 PolarHBondContact O-OG1 2.89Å; Y79-T82 VanDerWaalsContact O-OG1 3.07Å; Y79-W83 HydrophobicContact CD1-CB 4.48Å; Y79-W83 HydrophobicContact CE1-CB 4.19Å; Y79-W83 HydrophobicContact CE1-CD2 4.47Å; Y79-W83 HydrophobicContact CE1-CE3 4.38Å; Y79-W83 HydrophobicContact CE1-CG 4.44Å; Y79-W83 HydrophobicContact CE2-CB 4.22Å; Y79-W83 HydrophobicContact CE2-CE3 4.3Å; Y79-W83 AromaticContact CZ-CE3 3.66Å; Y79-W83 VanDerWaalsContact O-CB 3.3Å; Y79-W83 WeakPolarHBondContact O-CB 3.42Å; Y79-W83 PolarHBondContact O-N 3.35Å; Y79-W83 VanDerWaalsContact OH-CZ3 3.27Å; Y79-W83 WeakPolarHBondContact OH-CZ3 3.45Å; Y79-T135 HydrophobicContact CD2-CG2 3.9Å; Y79-T135 HydrophobicContact CE2-CG2 4.19Å; Y79-I501 PolarHBondContact N-O 2.91Å; Y79-V513 HydrophobicContact CD1-CG1 4.37Å; Y79-V513 HydrophobicContact CD1-CG2 4.04Å; Y79-V513 HydrophobicContact CE1-CG2 3.68Å; Y79-P532 HydrophobicContact CD1-CB 4.16Å; Y79-P532 HydrophobicContact CE1-CB 3.63Å; Y79-P532 HydrophobicContact CE1-CG 4.47Å
80G96.5Very high88Confident0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-62.5-48.5-170.100000114T82 W83 L84 L498 I501 Y524G80-T82 PolarHBondContact O-N 3.17Å; G80-W83 WeakPolarHBondContact O-CB 3.38Å; G80-W83 PolarHBondContact O-N 3.47Å; G80-L84 PolarHBondContact O-N 3.2Å; G80-L498 CarbonylContact C-O 3.54Å; G80-L498 VanDerWaalsContact CA-O 3.25Å; G80-L498 WeakPolarHBondContact CA-O 3.06Å; G80-I501 PolarHBondContact N-O 2.88Å; G80-I501 VanDerWaalsContact N-O 3.1Å; G80-Y524 WeakPolarHBondContact CA-OH 3.33Å; G80-Y524 PolarHBondContact O-OH 3.25Å
81A96.8Very high89.9Confident2 Ų253.7 Ų53.72%0.01726%0.259CS..Hα-helixtrans-64.5-38.6178.400000112.3Y79 L84 L85 L118 L498 E499Y79-A81 PolarHBondContact O-N 3.02Å; A81-L84 WeakPolarHBondContact O-CB 3.33Å; A81-L84 PolarHBondContact O-N 3.07Å; A81-L85 WeakPolarHBondContact O-CG 3.22Å; A81-L85 PolarHBondContact O-N 3.35Å; A81-L85 VanDerWaalsContact O-N 3.16Å; A81-L118 HydrophobicContact CB-CD1 3.79Å; A81-L118 HydrophobicContact CB-CD2 3.77Å; A81-L118 HydrophobicContact CB-CG 4.46Å; A81-L498 PolarHBondContact N-O 2.66Å; A81-E499 HydrophobicContact CB-CB 3.91Å; A81-E499 HydrophobicContact CB-CG 4.42Å
82T97.1Very high91.5Very high2 Ų252.8 Ų52.81%0.01225%0.253CS..Hα-helixtrans-73.4-31.7177.854.80000112.4Y79 G80 L85 D86 Y114 L118 W130 T135Y79-T82 PolarHBondContact O-N 2.89Å; Y79-T82 PolarHBondContact O-OG1 2.89Å; Y79-T82 VanDerWaalsContact O-OG1 3.07Å; G80-T82 PolarHBondContact O-N 3.17Å; T82-L85 PolarHBondContact O-N 2.89Å; T82-D86 PolarHBondContact O-N 3.18Å; T82-Y114 HydrophobicContact CG2-CD2 3.99Å; T82-L118 HydrophobicContact CG2-CD1 3.64Å; T82-W130 HydrophobicContact CG2-CH2 4.38Å; T82-W130 HydrophobicContact CG2-CZ2 4.03Å; T82-T135 WeakPolarHBondContact CB-O 3.4Å; T82-T135 VanDerWaalsContact CG2-O 3.23Å; T82-T135 WeakPolarHBondContact CG2-O 3.37Å; T82-T135 PolarHBondContact OG1-O 2.81Å
83W96.7Very high93.1Very high55 Ų5547.2 Ų47.221%0.20822%0.22CC..Hα-helixtrans-60.8-44.7168.4173.4-102.3000111.9Y79 G80 L85 D86 Q87 Y524 M530 P532Y79-W83 HydrophobicContact CD1-CB 4.48Å; Y79-W83 HydrophobicContact CE1-CB 4.19Å; Y79-W83 HydrophobicContact CE1-CD2 4.47Å; Y79-W83 HydrophobicContact CE1-CE3 4.38Å; Y79-W83 HydrophobicContact CE1-CG 4.44Å; Y79-W83 HydrophobicContact CE2-CB 4.22Å; Y79-W83 HydrophobicContact CE2-CE3 4.3Å; Y79-W83 AromaticContact CZ-CE3 3.66Å; Y79-W83 VanDerWaalsContact O-CB 3.3Å; Y79-W83 WeakPolarHBondContact O-CB 3.42Å; Y79-W83 PolarHBondContact O-N 3.35Å; Y79-W83 VanDerWaalsContact OH-CZ3 3.27Å; Y79-W83 WeakPolarHBondContact OH-CZ3 3.45Å; G80-W83 WeakPolarHBondContact O-CB 3.38Å; G80-W83 PolarHBondContact O-N 3.47Å; W83-L85 VanDerWaalsContact C-N 3.26Å; W83-L85 PolarHBondContact O-N 3.42Å; W83-D86 PolarHBondContact O-N 3.13Å; W83-Q87 HydrophobicContact CD2-CG 4.13Å; W83-Q87 HydrophobicContact CG-CG 4.49Å; W83-Q87 HydrophobicContact CZ2-CG 4.05Å; W83-Q87 VanDerWaalsContact CZ2-NE2 3.26Å; W83-Q87 WeakPolarHBondContact O-CG 3.46Å; W83-Q87 PolarHBondContact O-N 2.92Å; W83-Y524 AromaticContact CD1-CE1 3.8Å; W83-M530 PolarHBondContact NE1-O 3.1Å; W83-P532 HydrophobicContact CD2-CB 4.13Å; W83-P532 HydrophobicContact CG-CB 3.93Å; W83-P532 HydrophobicContact CG-CG 4.35Å
84L97.9Very high94.3Very high0 Ų040.3 Ų40.30%019%0.188CC..Hα-helixtrans-54.1-48.2173.8175.867.5000110.2G80 A81 Q87 I88 I476 L495 L498 Y524 L527 V529G80-L84 PolarHBondContact O-N 3.2Å; A81-L84 WeakPolarHBondContact O-CB 3.33Å; A81-L84 PolarHBondContact O-N 3.07Å; L84-Q87 PolarHBondContact O-N 3.27Å; L84-I88 HydrophobicContact CD1-CD1 3.95Å; L84-I88 HydrophobicContact CD1-CG1 4.31Å; L84-I88 HydrophobicContact CD2-CD1 4.35Å; L84-I88 HydrophobicContact CG-CD1 3.78Å; L84-I88 HydrophobicContact CG-CG1 4.47Å; L84-I88 VanDerWaalsContact O-CG1 3.28Å; L84-I88 WeakPolarHBondContact O-CG1 3.28Å; L84-I88 PolarHBondContact O-N 3.13Å; L84-I476 HydrophobicContact CD2-CD1 4.3Å; L84-L495 HydrophobicContact CD2-CD2 4.22Å; L84-L498 HydrophobicContact CD2-CD1 3.75Å; L84-Y524 HydrophobicContact CB-CE1 3.84Å; L84-Y524 HydrophobicContact CD1-CD1 4.06Å; L84-Y524 HydrophobicContact CD1-CE1 4.18Å; L84-L527 HydrophobicContact CD1-CB 4.24Å; L84-L527 HydrophobicContact CD1-CD1 3.74Å; L84-L527 HydrophobicContact CD2-CD1 3.65Å; L84-L527 HydrophobicContact CG-CD1 4.35Å; L84-V529 HydrophobicContact CD1-CB 4.08Å; L84-V529 HydrophobicContact CD1-CG1 4.13Å; L84-V529 HydrophobicContact CD1-CG2 3.97Å
85L98Very high95.2Very high0 Ų036 Ų360%016%0.162CC..Hα-helixtrans-64.4-41.3179.3-61179000111.7A81 T82 W83 Q87 I88 G89 Y114 I117 L118 Y472 I476A81-L85 WeakPolarHBondContact O-CG 3.22Å; A81-L85 PolarHBondContact O-N 3.35Å; A81-L85 VanDerWaalsContact O-N 3.16Å; T82-L85 PolarHBondContact O-N 2.89Å; W83-L85 VanDerWaalsContact C-N 3.26Å; W83-L85 PolarHBondContact O-N 3.42Å; L85-Q87 VanDerWaalsContact C-N 3.32Å; L85-Q87 PolarHBondContact O-N 3.45Å; L85-I88 PolarHBondContact O-N 2.96Å; L85-G89 PolarHBondContact O-N 3.32Å; L85-Y114 HydrophobicContact CB-CD1 3.85Å; L85-Y114 HydrophobicContact CB-CD2 4.26Å; L85-Y114 HydrophobicContact CB-CE1 3.5Å; L85-Y114 HydrophobicContact CB-CE2 3.91Å; L85-Y114 HydrophobicContact CB-CG 4.25Å; L85-Y114 HydrophobicContact CD1-CD1 3.57Å; L85-Y114 HydrophobicContact CD1-CD2 4.16Å; L85-Y114 HydrophobicContact CD1-CE1 4.14Å; L85-Y114 HydrophobicContact CD1-CG 3.61Å; L85-Y114 HydrophobicContact CG-CD1 4.33Å; L85-Y114 HydrophobicContact CG-CE1 4.43Å; L85-I117 HydrophobicContact CD1-CB 4.32Å; L85-I117 HydrophobicContact CD1-CD1 4.12Å; L85-I117 HydrophobicContact CD1-CG2 4.2Å; L85-I117 HydrophobicContact CD2-CD1 3.99Å; L85-I117 HydrophobicContact CD2-CG2 4.28Å; L85-L118 HydrophobicContact CD1-CD1 3.88Å; L85-L118 HydrophobicContact CD1-CG 4.11Å; L85-Y472 HydrophobicContact CB-CD1 4.43Å; L85-Y472 HydrophobicContact CB-CE1 4.43Å; L85-Y472 HydrophobicContact CD2-CD1 3.87Å; L85-Y472 HydrophobicContact CD2-CG 4.32Å; L85-Y472 WeakPolarHBondContact O-CE1 3.41Å; L85-I476 HydrophobicContact CD2-CD1 4.28Å
86D97Very high95.7Very high46 Ų4633.4 Ų33.425%0.24616%0.158CC..Hα-helixtrans-57.2-46.4174.2-77.1-23.1000111.5T82 W83 G89 E90 Y114T82-D86 PolarHBondContact O-N 3.18Å; W83-D86 PolarHBondContact O-N 3.13Å; D86-G89 PolarHBondContact O-N 3.49Å; D86-E90 WeakPolarHBondContact O-CG 3.44Å; D86-E90 PolarHBondContact O-N 2.85Å; D86-Y114 VanDerWaalsContact CA-OH 3.3Å; D86-Y114 WeakPolarHBondContact CA-OH 3.34Å; D86-Y114 PolarHBondContact N-OH 3.09Å; D86-Y114 VanDerWaalsContact OD1-CE2 3.32Å; D86-Y114 WeakPolarHBondContact OD1-CE2 3.36Å; D86-Y114 VanDerWaalsContact OD1-CZ 3.32Å; D86-Y114 PolarHBondContact OD1-OH 3.39Å
87Q97.7Very high96Very high59 Ų5926.4 Ų26.428%0.27613%0.132SC..Hα-helixtrans-66-41.9-179.8-65.9-57.9-5100112.5W83 L84 L85 G89 K91 V529W83-Q87 HydrophobicContact CD2-CG 4.13Å; W83-Q87 HydrophobicContact CG-CG 4.49Å; W83-Q87 HydrophobicContact CZ2-CG 4.05Å; W83-Q87 VanDerWaalsContact CZ2-NE2 3.26Å; W83-Q87 WeakPolarHBondContact O-CG 3.46Å; W83-Q87 PolarHBondContact O-N 2.92Å; L84-Q87 PolarHBondContact O-N 3.27Å; L85-Q87 VanDerWaalsContact C-N 3.32Å; L85-Q87 PolarHBondContact O-N 3.45Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 3.29Å; Q87-K91 WeakPolarHBondContact O-CB 3.3Å; Q87-K91 PolarHBondContact O-N 3.03Å; Q87-V529 HydrophobicContact CB-CB 4.39Å; Q87-V529 HydrophobicContact CB-CG1 3.4Å; Q87-V529 HydrophobicContact CB-CG2 4.07Å; Q87-V529 HydrophobicContact CG-CG1 3.63Å
88I97.2Very high96.3Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-62.3-43.1173.7-66.9169.1000110.1L84 L85 E90 K91 L92 Y472 Y475 I476 V529L84-I88 HydrophobicContact CD1-CD1 3.95Å; L84-I88 HydrophobicContact CD1-CG1 4.31Å; L84-I88 HydrophobicContact CD2-CD1 4.35Å; L84-I88 HydrophobicContact CG-CD1 3.78Å; L84-I88 HydrophobicContact CG-CG1 4.47Å; L84-I88 VanDerWaalsContact O-CG1 3.28Å; L84-I88 WeakPolarHBondContact O-CG1 3.28Å; L84-I88 PolarHBondContact O-N 3.13Å; L85-I88 PolarHBondContact O-N 2.96Å; I88-E90 PolarHBondContact O-N 3.26Å; I88-K91 PolarHBondContact O-N 3Å; I88-L92 HydrophobicContact CG2-CD1 3.67Å; I88-L92 HydrophobicContact CG2-CG 4.17Å; I88-L92 WeakPolarHBondContact O-CB 3.28Å; I88-L92 WeakPolarHBondContact O-CG 3.45Å; I88-L92 PolarHBondContact O-N 2.89Å; I88-Y472 HydrophobicContact CB-CD1 3.89Å; I88-Y472 HydrophobicContact CB-CE1 4.06Å; I88-Y472 HydrophobicContact CG2-CD1 3.51Å; I88-Y472 HydrophobicContact CG2-CE1 3.9Å; I88-Y472 HydrophobicContact CG2-CG 4.42Å; I88-Y475 HydrophobicContact CB-CD1 4.44Å; I88-Y475 HydrophobicContact CD1-CD1 3.68Å; I88-Y475 HydrophobicContact CD1-CE1 4.09Å; I88-Y475 HydrophobicContact CG1-CD1 3.69Å; I88-Y475 HydrophobicContact CG1-CE1 3.74Å; I88-Y475 HydrophobicContact CG2-CD1 3.9Å; I88-Y475 HydrophobicContact CG2-CE1 4.49Å; I88-Y475 HydrophobicContact CG2-CG 3.99Å; I88-I476 HydrophobicContact CD1-CD1 4.08Å; I88-I476 HydrophobicContact CD1-CG1 3.69Å; I88-V529 HydrophobicContact CG1-CG2 4.28Å
89G97Very high96.4Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-64-41.4-176.800000112.6L85 D86 Q87 G93 I94 V95 Y472L85-G89 PolarHBondContact O-N 3.32Å; D86-G89 PolarHBondContact O-N 3.49Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 3.29Å; G89-G93 CarbonylContact O-C 3.44Å; G89-G93 PolarHBondContact O-N 3.37Å; G89-G93 VanDerWaalsContact O-N 3.1Å; G89-I94 PolarHBondContact O-N 2.7Å; G89-V95 PolarHBondContact O-N 2.87Å; G89-Y472 WeakPolarHBondContact CA-OH 3.23Å
90E95.9Very high96.5Very high104 Ų10430.5 Ų30.549%0.48616%0.159SC..Hα-helixtrans-70.7-45.8173.6-68.6-67.2176.800111.3D86 I88 L92 G93 V95D86-E90 WeakPolarHBondContact O-CG 3.44Å; D86-E90 PolarHBondContact O-N 2.85Å; I88-E90 PolarHBondContact O-N 3.26Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 3.42Å; E90-G93 PolarHBondContact O-N 3.09Å; E90-V95 HydrophobicContact CG-CG2 4.32Å; E90-V95 WeakPolarHBondContact OE1-CG1 3.49Å
91K94.2Very high96.5Very high101 Ų10131.4 Ų31.444%0.43917%0.165SC..Hα-helixtrans-57.9-43.4178.5174.3172.4-99.2-174.50112.6Q87 I88 G93 Y475 D528Q87-K91 WeakPolarHBondContact O-CB 3.3Å; Q87-K91 PolarHBondContact O-N 3.03Å; I88-K91 PolarHBondContact O-N 3Å; K91-G93 VanDerWaalsContact C-N 3.3Å; K91-Y475 HydrophobicContact CD-CE2 4.33Å; K91-Y475 WeakPolarHBondContact CD-OH 3.5Å; K91-D528 PolarHBondContact NZ-O 3.43Å; K91-D528 IonicContact NZ-OD1 3.49Å; K91-D528 PolarHBondContact NZ-OD1 3.15Å; K91-D528 IonicContact NZ-OD2 3.84Å; K91-D528 PolarHBondContact NZ-OD2 3.47Å
92L92.9Very high96.5Very high28 Ų2832.2 Ų32.215%0.14717%0.169CC..THydrogen-bonded Turntrans-83.6-7.6178.1-61.7-177.7000113.1I88 E90 I94 L219 I471 Y475I88-L92 HydrophobicContact CG2-CD1 3.67Å; I88-L92 HydrophobicContact CG2-CG 4.17Å; I88-L92 WeakPolarHBondContact O-CB 3.28Å; I88-L92 WeakPolarHBondContact O-CG 3.45Å; I88-L92 PolarHBondContact O-N 2.89Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 3.42Å; L92-I94 VanDerWaalsContact C-N 3.27Å; L92-I94 HydrophobicContact CB-CD1 4.01Å; L92-I94 HydrophobicContact CB-CG1 3.98Å; L92-I94 HydrophobicContact CD1-CD1 4.07Å; L92-I94 PolarHBondContact O-N 3.08Å; L92-L219 HydrophobicContact CD1-CD1 4.38Å; L92-L219 HydrophobicContact CD2-CD1 3.9Å; L92-I471 HydrophobicContact CD1-CG2 4Å; L92-Y475 HydrophobicContact CD1-CD2 4.03Å; L92-Y475 HydrophobicContact CD1-CG 4.21Å; L92-Y475 HydrophobicContact CD2-CD2 3.94Å; L92-Y475 HydrophobicContact CD2-CE2 4.23Å; L92-Y475 HydrophobicContact CG-CD2 4.3Å
93G94.7Very high96.4Very high5 Ų535.5 Ų35.55%0.05219%0.19CC..THydrogen-bonded Turntrans73.911.7-178.900000115.5G89 E90 K91 V95 G96 D97 R169G89-G93 CarbonylContact O-C 3.44Å; G89-G93 PolarHBondContact O-N 3.37Å; G89-G93 VanDerWaalsContact O-N 3.1Å; E90-G93 PolarHBondContact O-N 3.09Å; K91-G93 VanDerWaalsContact C-N 3.3Å; G93-V95 VanDerWaalsContact C-N 3.3Å; G93-V95 PolarHBondContact O-N 3Å; G93-G96 PolarHBondContact O-N 3.14Å; G93-D97 PolarHBondContact O-N 3.29Å; G93-R169 PolarHBondContact O-NH2 3.43Å
94I96.2Very high96.4Very high0 Ų038.8 Ų38.80%021%0.211CC..Hα-helixtrans-60.4-41.6179.1-61.7169000110.4G89 L92 G96 D97 L98 F162 V468 I471 Y472G89-I94 PolarHBondContact O-N 2.7Å; L92-I94 VanDerWaalsContact C-N 3.27Å; L92-I94 HydrophobicContact CB-CD1 4.01Å; L92-I94 HydrophobicContact CB-CG1 3.98Å; L92-I94 HydrophobicContact CD1-CD1 4.07Å; L92-I94 PolarHBondContact O-N 3.08Å; I94-G96 VanDerWaalsContact C-N 3.35Å; I94-G96 PolarHBondContact O-N 3.42Å; I94-D97 PolarHBondContact O-N 3.39Å; I94-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CG 4.22Å; I94-L98 WeakPolarHBondContact O-CB 3.43Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.96Å; I94-F162 HydrophobicContact CG2-CE2 4.44Å; I94-F162 HydrophobicContact CG2-CZ 4.38Å; I94-V468 HydrophobicContact CG2-CG1 3.79Å; I94-I471 HydrophobicContact CD1-CB 4.07Å; I94-I471 HydrophobicContact CD1-CG2 3.66Å; I94-I471 HydrophobicContact CG1-CG2 4.48Å; I94-Y472 HydrophobicContact CD1-CD2 4.07Å; I94-Y472 HydrophobicContact CD1-CE1 4.27Å; I94-Y472 HydrophobicContact CD1-CE2 3.63Å; I94-Y472 HydrophobicContact CG2-CE2 3.98Å
95V97Very high96.3Very high8 Ų840.9 Ų40.95%0.04822%0.223CC..Hα-helixtrans-62.7-43.9179.5178.40000110.8G89 E90 G93 R99 L110G89-V95 PolarHBondContact O-N 2.87Å; E90-V95 HydrophobicContact CG-CG2 4.32Å; E90-V95 WeakPolarHBondContact OE1-CG1 3.49Å; G93-V95 VanDerWaalsContact C-N 3.3Å; G93-V95 PolarHBondContact O-N 3Å; V95-R99 VanDerWaalsContact O-CB 3.23Å; V95-R99 WeakPolarHBondContact O-CB 3.42Å; V95-R99 PolarHBondContact O-N 3.4Å; V95-L110 HydrophobicContact CB-CD1 4.49Å; V95-L110 HydrophobicContact CG1-CD1 4.18Å; V95-L110 HydrophobicContact CG2-CD1 4.03Å; V95-L110 HydrophobicContact CG2-CD2 4.39Å
96G96.5Very high96.2Very high32 Ų3241.7 Ų41.733%0.3323%0.226SC..Hα-helixtrans-63.7-44.2176.100000112.5G93 I94 R99 A100G93-G96 PolarHBondContact O-N 3.14Å; I94-G96 VanDerWaalsContact C-N 3.35Å; I94-G96 PolarHBondContact O-N 3.42Å; G96-R99 PolarHBondContact O-N 3.43Å; G96-A100 PolarHBondContact O-N 3.25Å
97D96.3Very high96.3Very high6 Ų642.8 Ų42.83%0.03223%0.226CC..Hα-helixtrans-67.7-45-179-66.2-12000111.5G93 I94 R99 A100 C101 F162 L165 Q166 R169G93-D97 PolarHBondContact O-N 3.29Å; I94-D97 PolarHBondContact O-N 3.39Å; D97-R99 VanDerWaalsContact C-N 3.33Å; D97-R99 PolarHBondContact O-N 2.95Å; D97-A100 PolarHBondContact O-N 3.28Å; D97-C101 PolarHBondContact O-N 3.04Å; D97-C101 PolarHBondContact O-SG 3.04Å; D97-C101 VanDerWaalsContact O-SG 3.35Å; D97-F162 HydrophobicContact CB-CD2 3.76Å; D97-F162 HydrophobicContact CB-CE2 3.7Å; D97-L165 HydrophobicContact CB-CB 4.22Å; D97-L165 HydrophobicContact CB-CD1 3.97Å; D97-Q166 PolarHBondContact OD2-NE2 3.09Å; D97-R169 IonicContact OD1-CZ 3.61Å; D97-R169 IonicContact OD1-NE 2.6Å; D97-R169 IonicContact OD1-NH2 2.92Å; D97-R169 PolarHBondContact OD1-NH2 3.08Å; D97-R169 IonicContact OD2-CZ 2.74Å; D97-R169 IonicContact OD2-NE 3.25Å; D97-R169 PolarHBondContact OD2-NE 2.98Å; D97-R169 IonicContact OD2-NH2 3.16Å
98L97.4Very high96.3Very high1 Ų145.6 Ų45.61%0.00524%0.235CC..Hα-helixtrans-62.8-39.7174-71.8175.8000111.7I94 A100 C101 F102 L110 F162 F464 V468I94-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CG 4.22Å; I94-L98 WeakPolarHBondContact O-CB 3.43Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.96Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 3.33Å; L98-C101 PolarHBondContact O-N 2.89Å; L98-F102 HydrophobicContact CD2-CD2 3.92Å; L98-F102 HydrophobicContact CD2-CE2 4.03Å; L98-F102 CarbonylContact O-C 3.17Å; L98-F102 WeakPolarHBondContact O-CA 3.4Å; L98-F102 WeakPolarHBondContact O-CB 3.41Å; L98-F102 PolarHBondContact O-N 2.99Å; L98-L110 HydrophobicContact CD1-CD2 3.59Å; L98-L110 HydrophobicContact CD1-CG 3.77Å; L98-F162 HydrophobicContact CD2-CD2 3.98Å; L98-F162 HydrophobicContact CD2-CE2 3.85Å; L98-F162 HydrophobicContact CG-CD2 4.37Å; L98-F162 HydrophobicContact CG-CE2 3.91Å; L98-F464 HydrophobicContact CD2-CE1 3.87Å; L98-F464 HydrophobicContact CD2-CZ 3.77Å; L98-V468 HydrophobicContact CD1-CG1 4.29Å; L98-V468 HydrophobicContact CD2-CG2 4.42Å
99R97.3Very high96.3Very high120 Ų12045.7 Ų45.745%0.45324%0.235SC..Hα-helixtrans-63.3-36.8176.3-174.6-175.5-60.8164.55.9111.9V95 G96 D97 P103 Y106V95-R99 VanDerWaalsContact O-CB 3.23Å; V95-R99 WeakPolarHBondContact O-CB 3.42Å; V95-R99 PolarHBondContact O-N 3.4Å; G96-R99 PolarHBondContact O-N 3.43Å; D97-R99 VanDerWaalsContact C-N 3.33Å; D97-R99 PolarHBondContact O-N 2.95Å; R99-P103 VanDerWaalsContact O-CA 3.28Å; R99-P103 WeakPolarHBondContact O-CA 3.25Å; R99-Y106 HydrophobicContact CB-CD1 4.22Å; R99-Y106 HydrophobicContact CB-CD2 4.15Å; R99-Y106 HydrophobicContact CB-CE1 4.46Å; R99-Y106 HydrophobicContact CB-CE2 4.41Å; R99-Y106 HydrophobicContact CB-CG 4.06Å; R99-Y106 HydrophobicContact CG-CD1 4.09Å; R99-Y106 HydrophobicContact CG-CE1 3.96Å; R99-Y106 HydrophobicContact CG-CG 4.42Å
100A96.6Very high96.3Very high72 Ų7245.9 Ų45.960%0.59524%0.236SC*.Hα-helixtrans-70.4-39.9176.800000112G96 D97 L98 L165G96-A100 PolarHBondContact O-N 3.25Å; D97-A100 PolarHBondContact O-N 3.28Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 3.33Å; A100-L165 HydrophobicContact CB-CD1 4.17Å
101C96.6Very high96.4Very high19 Ų1941 Ų4113%0.12821%0.213CC..Hα-helixtrans-86.3-25.3-176.6-61.50000114.4D97 L98 F162D97-C101 PolarHBondContact O-N 3.04Å; D97-C101 PolarHBondContact O-SG 3.04Å; D97-C101 VanDerWaalsContact O-SG 3.35Å; L98-C101 PolarHBondContact O-N 2.89Å; C101-F162 PolarHBondContact SG-N 2.89Å; C101-F162 VanDerWaalsContact SG-N 3.44Å
102F96.6Very high96.5Very high19 Ų1936.1 Ų36.18%0.08319%0.192CC..  trans-139.460.9-174.6-51.7-82.7000111L98 D104 D105 Y106 L109 I154 S158 F464L98-F102 HydrophobicContact CD2-CD2 3.92Å; L98-F102 HydrophobicContact CD2-CE2 4.03Å; L98-F102 CarbonylContact O-C 3.17Å; L98-F102 WeakPolarHBondContact O-CA 3.4Å; L98-F102 WeakPolarHBondContact O-CB 3.41Å; L98-F102 PolarHBondContact O-N 2.99Å; F102-D104 PolarHBondContact O-N 2.9Å; F102-D104 VanDerWaalsContact O-N 3.08Å; F102-D105 PolarHBondContact O-N 2.97Å; F102-D105 VanDerWaalsContact O-N 3.16Å; F102-Y106 VanDerWaalsContact O-CB 3.3Å; F102-Y106 WeakPolarHBondContact O-CB 3.33Å; F102-Y106 PolarHBondContact O-N 2.92Å; F102-L109 HydrophobicContact CB-CD1 3.77Å; F102-L109 HydrophobicContact CD1-CD1 3.96Å; F102-L109 HydrophobicContact CD2-CD1 3.67Å; F102-L109 HydrophobicContact CE1-CD1 4.47Å; F102-L109 HydrophobicContact CE2-CD1 4.22Å; F102-L109 HydrophobicContact CG-CD1 3.52Å; F102-I154 HydrophobicContact CE1-CB 4.35Å; F102-I154 HydrophobicContact CE1-CG1 3.97Å; F102-I154 HydrophobicContact CE1-CG2 4.08Å; F102-I154 HydrophobicContact CZ-CG1 4.41Å; F102-I154 HydrophobicContact CZ-CG2 4.04Å; F102-S158 VanDerWaalsContact CZ-CB 3.4Å; F102-F464 HydrophobicContact CD2-CE1 4.43Å; F102-F464 AromaticContact CE2-CE1 3.47Å; F102-F464 HydrophobicContact CE2-CE1 3.47Å; F102-F464 VanDerWaalsContact CE2-CE1 3.47Å; F102-F464 AromaticContact CE2-CZ 3.57Å; F102-F464 HydrophobicContact CE2-CZ 3.57Å; F102-F464 HydrophobicContact CZ-CD1 4.31Å; F102-F464 AromaticContact CZ-CE1 3.67Å; F102-F464 HydrophobicContact CZ-CE1 3.67Å; F102-F464 AromaticContact CZ-CZ 3.98Å; F102-F464 HydrophobicContact CZ-CZ 3.98Å
103P95.4Very high96.7Very high71 Ų7134.9 Ų34.946%0.46119%0.186SC..THydrogen-bonded Turntrans-57.5-31-169.422.3-34.5000114.7R99 Y106R99-P103 VanDerWaalsContact O-CA 3.28Å; R99-P103 WeakPolarHBondContact O-CA 3.25Å; P103-Y106 WeakPolarHBondContact O-CD1 3.37Å
104D95.3Very high96.8Very high123 Ų12334.7 Ų34.766%0.65818%0.183SC*.THydrogen-bonded Turntrans-87.3-31.7-178.7-64.9-44.4000113.1F102F102-D104 PolarHBondContact O-N 2.9Å; F102-D104 VanDerWaalsContact O-N 3.08Å
105D96.1Very high96.8Very high44 Ų4434.8 Ų34.824%0.23518%0.184CC..THydrogen-bonded Turntrans-115.2-2.2-170.8-68.9-59000115.2F102 R107 R108 L109 L150F102-D105 PolarHBondContact O-N 2.97Å; F102-D105 VanDerWaalsContact O-N 3.16Å; D105-R107 PolarHBondContact O-N 2.95Å; D105-R108 WeakPolarHBondContact O-CA 3.39Å; D105-R108 WeakPolarHBondContact O-CB 3.49Å; D105-R108 PolarHBondContact O-N 3.31Å; D105-R108 IonicContact OD1-NH1 3.61Å; D105-R108 PolarHBondContact OD1-NH1 3.28Å; D105-L109 PolarHBondContact O-N 3.3Å; D105-L150 HydrophobicContact CB-CD1 3.61Å
106Y97.3Very high96.6Very high18 Ų1834.8 Ų34.87%0.07118%0.183CC..Hα-helixtrans-55.4-33.9-174.977-82.9000113.7R99 F102 P103 L109 L110R99-Y106 HydrophobicContact CB-CD1 4.22Å; R99-Y106 HydrophobicContact CB-CD2 4.15Å; R99-Y106 HydrophobicContact CB-CE1 4.46Å; R99-Y106 HydrophobicContact CB-CE2 4.41Å; R99-Y106 HydrophobicContact CB-CG 4.06Å; R99-Y106 HydrophobicContact CG-CD1 4.09Å; R99-Y106 HydrophobicContact CG-CE1 3.96Å; R99-Y106 HydrophobicContact CG-CG 4.42Å; F102-Y106 VanDerWaalsContact O-CB 3.3Å; F102-Y106 WeakPolarHBondContact O-CB 3.33Å; F102-Y106 PolarHBondContact O-N 2.92Å; P103-Y106 WeakPolarHBondContact O-CD1 3.37Å; Y106-L109 PolarHBondContact O-N 2.98Å; Y106-L110 HydrophobicContact CD2-CD1 4.05Å; Y106-L110 WeakPolarHBondContact O-CB 3.24Å; Y106-L110 WeakPolarHBondContact O-CG 3.47Å; Y106-L110 PolarHBondContact O-N 3.2Å
107R97.5Very high96.6Very high68 Ų6834 Ų3426%0.25717%0.172SC..Hα-helixtrans-68.5-36.8176.7-68.4-175.8177.9-174.1-4.4112.5D105 S111 P137D105-R107 PolarHBondContact O-N 2.95Å; R107-S111 WeakPolarHBondContact O-CB 3.29Å; R107-S111 PolarHBondContact O-N 3.41Å; R107-S111 PolarHBondContact O-OG 2.93Å; R107-P137 HydrophobicContact CB-CB 4.32Å; R107-P137 WeakPolarHBondContact CD-O 3.03Å
108R97.4Very high96.5Very high119 Ų11934.7 Ų34.745%0.44918%0.175SC..Hα-helixtrans-68.2-46.1174.7-71.2172.8172.6175.8-8.2110.1D105 L110 S111 I112 C138 I142 L150D105-R108 WeakPolarHBondContact O-CA 3.39Å; D105-R108 WeakPolarHBondContact O-CB 3.49Å; D105-R108 PolarHBondContact O-N 3.31Å; D105-R108 IonicContact OD1-NH1 3.61Å; D105-R108 PolarHBondContact OD1-NH1 3.28Å; R108-L110 PolarHBondContact O-N 3.37Å; R108-S111 WeakPolarHBondContact O-CB 3.47Å; R108-S111 PolarHBondContact O-N 2.76Å; R108-S111 VanDerWaalsContact O-N 3.16Å; R108-I112 WeakPolarHBondContact O-CG1 3.39Å; R108-I112 PolarHBondContact O-N 3.37Å; R108-C138 HydrophobicContact CG-CB 4.33Å; R108-C138 VanDerWaalsContact CG-SG 3.52Å; R108-I142 HydrophobicContact CB-CD1 3.91Å; R108-I142 HydrophobicContact CG-CD1 4.14Å; R108-L150 HydrophobicContact CB-CD2 3.69Å
109L97.6Very high96Very high2 Ų235.1 Ų35.11%0.0118%0.18CC..Hα-helixtrans-57.1-49.3175-68.2173.6000111.7F102 D105 Y106 S111 I112 V113 L150 I154 V465F102-L109 HydrophobicContact CB-CD1 3.77Å; F102-L109 HydrophobicContact CD1-CD1 3.96Å; F102-L109 HydrophobicContact CD2-CD1 3.67Å; F102-L109 HydrophobicContact CE1-CD1 4.47Å; F102-L109 HydrophobicContact CE2-CD1 4.22Å; F102-L109 HydrophobicContact CG-CD1 3.52Å; D105-L109 PolarHBondContact O-N 3.3Å; Y106-L109 PolarHBondContact O-N 2.98Å; L109-S111 VanDerWaalsContact C-N 3.3Å; L109-S111 PolarHBondContact O-N 3.26Å; L109-I112 PolarHBondContact O-N 3.49Å; L109-V113 WeakPolarHBondContact O-CG2 3.37Å; L109-V113 PolarHBondContact O-N 2.92Å; L109-L150 HydrophobicContact CD2-CD1 4.01Å; L109-L150 HydrophobicContact CD2-CD2 3.8Å; L109-L150 HydrophobicContact CD2-CG 3.79Å; L109-L150 HydrophobicContact CG-CD1 4.3Å; L109-L150 HydrophobicContact CG-CD2 4.21Å; L109-L150 HydrophobicContact CG-CG 4.47Å; L109-I154 HydrophobicContact CD2-CD1 3.86Å; L109-I154 HydrophobicContact CD2-CG1 4.46Å; L109-V465 HydrophobicContact CD2-CG2 3.86Å
110L97.8Very high95Very high4 Ų431 Ų312%0.02118%0.175CC..Hα-helixtrans-60.3-39.1176.5-76.8169.2000112.5V95 L98 Y106 R108 I112 V113 Y114 P137V95-L110 HydrophobicContact CB-CD1 4.49Å; V95-L110 HydrophobicContact CG1-CD1 4.18Å; V95-L110 HydrophobicContact CG2-CD1 4.03Å; V95-L110 HydrophobicContact CG2-CD2 4.39Å; L98-L110 HydrophobicContact CD1-CD2 3.59Å; L98-L110 HydrophobicContact CD1-CG 3.77Å; Y106-L110 HydrophobicContact CD2-CD1 4.05Å; Y106-L110 WeakPolarHBondContact O-CB 3.24Å; Y106-L110 WeakPolarHBondContact O-CG 3.47Å; Y106-L110 PolarHBondContact O-N 3.2Å; R108-L110 PolarHBondContact O-N 3.37Å; L110-I112 PolarHBondContact O-N 2.89Å; L110-V113 WeakPolarHBondContact O-CB 3.42Å; L110-V113 PolarHBondContact O-N 3.38Å; L110-Y114 HydrophobicContact CD2-CE1 4.3Å; L110-Y114 WeakPolarHBondContact O-CD1 3.5Å; L110-Y114 PolarHBondContact O-N 2.85Å; L110-P137 HydrophobicContact CB-CB 4.11Å; L110-P137 HydrophobicContact CB-CG 3.88Å
111S97.5Very high94.3Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-64-41.5177.1-57.70000111.9R107 R108 L109 Y114 Y115 H136 C138R107-S111 WeakPolarHBondContact O-CB 3.29Å; R107-S111 PolarHBondContact O-N 3.41Å; R107-S111 PolarHBondContact O-OG 2.93Å; R108-S111 WeakPolarHBondContact O-CB 3.47Å; R108-S111 PolarHBondContact O-N 2.76Å; R108-S111 VanDerWaalsContact O-N 3.16Å; L109-S111 VanDerWaalsContact C-N 3.3Å; L109-S111 PolarHBondContact O-N 3.26Å; S111-Y114 PolarHBondContact O-N 2.91Å; S111-Y115 PolarHBondContact O-N 3.36Å; S111-H136 VanDerWaalsContact CB-ND1 3.33Å; S111-H136 WeakPolarHBondContact CB-ND1 3.34Å; S111-H136 PolarHBondContact OG-ND1 2.93Å; S111-C138 WeakPolarHBondContact OG-CB 3.49Å; S111-C138 PolarHBondContact OG-N 2.91Å
112I96.4Very high93.7Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-63.4-43.2173.6-64.4177.5000110.4R108 L109 L110 Y114 Y115 L116 M124 F127 I142 L150 F151 V465R108-I112 WeakPolarHBondContact O-CG1 3.39Å; R108-I112 PolarHBondContact O-N 3.37Å; L109-I112 PolarHBondContact O-N 3.49Å; L110-I112 PolarHBondContact O-N 2.89Å; I112-Y114 VanDerWaalsContact C-N 3.28Å; I112-Y114 PolarHBondContact O-N 2.88Å; I112-Y115 WeakPolarHBondContact O-CB 3.36Å; I112-Y115 PolarHBondContact O-N 2.84Å; I112-L116 HydrophobicContact CG2-CD1 4.11Å; I112-L116 HydrophobicContact CG2-CG 4.25Å; I112-L116 WeakPolarHBondContact O-CG 3.24Å; I112-L116 PolarHBondContact O-N 3.24Å; I112-M124 HydrophobicContact CB-CE 4.36Å; I112-M124 HydrophobicContact CD1-CE 4.17Å; I112-M124 HydrophobicContact CG1-CE 3.95Å; I112-M124 HydrophobicContact CG2-CE 3.66Å; I112-M124 HydrophobicContact CG2-SD 4.16Å; I112-F127 HydrophobicContact CG1-CE2 4.48Å; I112-I142 HydrophobicContact CD1-CG2 4.38Å; I112-I142 HydrophobicContact CG1-CD1 3.99Å; I112-L150 HydrophobicContact CD1-CD2 3.81Å; I112-F151 HydrophobicContact CD1-CE1 3.82Å; I112-F151 HydrophobicContact CD1-CZ 4.12Å; I112-F151 HydrophobicContact CG2-CE1 4.1Å; I112-F151 HydrophobicContact CG2-CZ 3.99Å; I112-V465 HydrophobicContact CB-CG1 4.2Å; I112-V465 HydrophobicContact CG2-CG1 3.66Å
113V96.7Very high93.2Very high2 Ų238.9 Ų38.91%0.01220%0.2CC..Hα-helixtrans-56-44.7175.4168.80000111.1L109 L110 Y115 L116 I117 V465 V468 A469 Y472L109-V113 WeakPolarHBondContact O-CG2 3.37Å; L109-V113 PolarHBondContact O-N 2.92Å; L110-V113 WeakPolarHBondContact O-CB 3.42Å; L110-V113 PolarHBondContact O-N 3.38Å; V113-Y115 VanDerWaalsContact C-N 3.35Å; V113-L116 PolarHBondContact O-N 2.95Å; V113-I117 HydrophobicContact CG1-CD1 3.84Å; V113-I117 WeakPolarHBondContact O-CG1 3.46Å; V113-I117 PolarHBondContact O-N 3.01Å; V113-I117 VanDerWaalsContact O-N 3.14Å; V113-V465 HydrophobicContact CG2-CG1 3.67Å; V113-V468 HydrophobicContact CG1-CG1 4.34Å; V113-V468 HydrophobicContact CG2-CB 3.99Å; V113-V468 HydrophobicContact CG2-CG1 3.76Å; V113-A469 HydrophobicContact CG1-CB 3.91Å; V113-Y472 HydrophobicContact CG1-CD2 3.79Å; V113-Y472 HydrophobicContact CG1-CE2 3.8Å
114Y96.9Very high93Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-67.3-40.3-179.5-68.910.8000110.9T82 L85 D86 L110 S111 I112 L116 I117 L118 P137T82-Y114 HydrophobicContact CG2-CD2 3.99Å; L85-Y114 HydrophobicContact CB-CD1 3.85Å; L85-Y114 HydrophobicContact CB-CD2 4.26Å; L85-Y114 HydrophobicContact CB-CE1 3.5Å; L85-Y114 HydrophobicContact CB-CE2 3.91Å; L85-Y114 HydrophobicContact CB-CG 4.25Å; L85-Y114 HydrophobicContact CD1-CD1 3.57Å; L85-Y114 HydrophobicContact CD1-CD2 4.16Å; L85-Y114 HydrophobicContact CD1-CE1 4.14Å; L85-Y114 HydrophobicContact CD1-CG 3.61Å; L85-Y114 HydrophobicContact CG-CD1 4.33Å; L85-Y114 HydrophobicContact CG-CE1 4.43Å; D86-Y114 VanDerWaalsContact CA-OH 3.3Å; D86-Y114 WeakPolarHBondContact CA-OH 3.34Å; D86-Y114 PolarHBondContact N-OH 3.09Å; D86-Y114 VanDerWaalsContact OD1-CE2 3.32Å; D86-Y114 WeakPolarHBondContact OD1-CE2 3.36Å; D86-Y114 VanDerWaalsContact OD1-CZ 3.32Å; D86-Y114 PolarHBondContact OD1-OH 3.39Å; L110-Y114 HydrophobicContact CD2-CE1 4.3Å; L110-Y114 WeakPolarHBondContact O-CD1 3.5Å; L110-Y114 PolarHBondContact O-N 2.85Å; S111-Y114 PolarHBondContact O-N 2.91Å; I112-Y114 VanDerWaalsContact C-N 3.28Å; I112-Y114 PolarHBondContact O-N 2.88Å; Y114-L116 PolarHBondContact O-N 3.36Å; Y114-I117 PolarHBondContact O-N 3.46Å; Y114-L118 WeakPolarHBondContact O-CB 3.38Å; Y114-L118 PolarHBondContact O-N 3.08Å; Y114-P137 HydrophobicContact CD2-CG 4.22Å; Y114-P137 HydrophobicContact CE2-CG 3.67Å
115Y95.6Very high92.7Very high3 Ų336.2 Ų36.21%0.01218%0.179CC..Hα-helixtrans-61.1-41.4173173.1-105.5000112.7S111 I112 V113 I117 G119 R122 A123 M124 Y126 F127 W130S111-Y115 PolarHBondContact O-N 3.36Å; I112-Y115 WeakPolarHBondContact O-CB 3.36Å; I112-Y115 PolarHBondContact O-N 2.84Å; V113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-I117 PolarHBondContact O-N 3.11Å; Y115-G119 WeakPolarHBondContact O-CA 3.44Å; Y115-G119 PolarHBondContact O-N 3.43Å; Y115-R122 WeakPolarHBondContact OH-CB 3.41Å; Y115-A123 PolarHBondContact OH-O 2.71Å; Y115-M124 HydrophobicContact CD1-CE 4.1Å; Y115-M124 HydrophobicContact CD1-SD 3.85Å; Y115-M124 HydrophobicContact CE1-CE 4.38Å; Y115-M124 HydrophobicContact CE1-SD 3.81Å; Y115-Y126 WeakPolarHBondContact OH-CB 3.34Å; Y115-F127 AromaticContact CD1-CD2 3.88Å; Y115-F127 HydrophobicContact CD1-CD2 3.88Å; Y115-F127 HydrophobicContact CD2-CD2 4.03Å; Y115-F127 HydrophobicContact CE1-CB 4.48Å; Y115-F127 AromaticContact CG-CD2 3.51Å; Y115-F127 HydrophobicContact CG-CD2 3.51Å; Y115-F127 HydrophobicContact CG-CE2 4.15Å; Y115-F127 HydrophobicContact CG-CG 4.42Å; Y115-W130 HydrophobicContact CD2-CB 3.67Å; Y115-W130 AromaticContact CD2-CD2 3.79Å; Y115-W130 HydrophobicContact CD2-CD2 3.79Å; Y115-W130 AromaticContact CD2-CE3 3.95Å; Y115-W130 HydrophobicContact CD2-CE3 3.95Å; Y115-W130 AromaticContact CD2-CG 3.67Å; Y115-W130 HydrophobicContact CD2-CG 3.67Å; Y115-W130 HydrophobicContact CE2-CB 3.82Å; Y115-W130 HydrophobicContact CE2-CG 4.23Å; Y115-W130 HydrophobicContact CG-CE3 4.38Å
116L94.4Very high92.5Very high7 Ų738.9 Ų38.94%0.03719%0.187CC..Hα-helixtrans-64.2-31.3176.8-68.5170.8000112.1I112 V113 Y114 M124 L446 V465 A469I112-L116 HydrophobicContact CG2-CD1 4.11Å; I112-L116 HydrophobicContact CG2-CG 4.25Å; I112-L116 WeakPolarHBondContact O-CG 3.24Å; I112-L116 PolarHBondContact O-N 3.24Å; V113-L116 PolarHBondContact O-N 2.95Å; Y114-L116 PolarHBondContact O-N 3.36Å; L116-M124 HydrophobicContact CD2-SD 4.27Å; L116-L446 HydrophobicContact CB-CD2 4.02Å; L116-L446 WeakPolarHBondContact O-CD2 3.44Å; L116-V465 HydrophobicContact CD1-CG1 3.82Å; L116-A469 HydrophobicContact CB-CB 4.34Å; L116-A469 HydrophobicContact CD1-CB 4.47Å
117I95.1Very high92.4Very high17 Ų1738 Ų389%0.08718%0.183CC..Hα-helixtrans-80.2-42.6179.4-66.6164.5000111.9L85 V113 Y114 Y115 L446 A469 Y472 L473 L495L85-I117 HydrophobicContact CD1-CB 4.32Å; L85-I117 HydrophobicContact CD1-CD1 4.12Å; L85-I117 HydrophobicContact CD1-CG2 4.2Å; L85-I117 HydrophobicContact CD2-CD1 3.99Å; L85-I117 HydrophobicContact CD2-CG2 4.28Å; V113-I117 HydrophobicContact CG1-CD1 3.84Å; V113-I117 WeakPolarHBondContact O-CG1 3.46Å; V113-I117 PolarHBondContact O-N 3.01Å; V113-I117 VanDerWaalsContact O-N 3.14Å; Y114-I117 PolarHBondContact O-N 3.46Å; Y115-I117 PolarHBondContact O-N 3.11Å; I117-L446 HydrophobicContact CG1-CD2 4.18Å; I117-A469 HydrophobicContact CD1-CB 4.28Å; I117-A469 HydrophobicContact CG1-CB 4.07Å; I117-Y472 HydrophobicContact CD1-CD2 4.19Å; I117-Y472 HydrophobicContact CD1-CG 3.96Å; I117-L473 HydrophobicContact CG1-CD2 4.23Å; I117-L473 HydrophobicContact CG1-CG 4.32Å; I117-L473 HydrophobicContact CG2-CD2 3.84Å; I117-L495 HydrophobicContact CG2-CD1 4.15Å
118L94.7Very high92.2Very high19 Ų1940 Ų4010%0.09919%0.193CC..Hα-helixtrans-106.1-29.4-168.7-59.5176.1000113.8A81 T82 L85 Y114 G120 W130 L495A81-L118 HydrophobicContact CB-CD1 3.79Å; A81-L118 HydrophobicContact CB-CD2 3.77Å; A81-L118 HydrophobicContact CB-CG 4.46Å; T82-L118 HydrophobicContact CG2-CD1 3.64Å; L85-L118 HydrophobicContact CD1-CD1 3.88Å; L85-L118 HydrophobicContact CD1-CG 4.11Å; Y114-L118 WeakPolarHBondContact O-CB 3.38Å; Y114-L118 PolarHBondContact O-N 3.08Å; L118-G120 PolarHBondContact O-N 3.03Å; L118-G120 VanDerWaalsContact O-N 3.09Å; L118-W130 HydrophobicContact CB-CZ2 4.37Å; L118-W130 HydrophobicContact CD1-CZ2 4.14Å; L118-L495 HydrophobicContact CD2-CB 4.27Å; L118-L495 HydrophobicContact CD2-CD1 4.32Å; L118-L495 HydrophobicContact CD2-CD2 4.07Å; L118-L495 HydrophobicContact CD2-CG 4.46Å
119G86.5Confident92Very high10 Ų1041 Ų4110%0.10320%0.198CC..SBendtrans-72.91.6-178.400000114.6Y115 R122Y115-G119 WeakPolarHBondContact O-CA 3.44Å; Y115-G119 PolarHBondContact O-N 3.43Å; G119-R122 WeakPolarHBondContact O-CD 3.28Å; G119-R122 WeakPolarHBondContact O-CG 3.48Å
120G78.2Confident91.9Very high35 Ų3541.8 Ų41.836%0.36120%0.201SC..  trans67-169.3-174.200000112.9L118 R122L118-G120 PolarHBondContact O-N 3.03Å; L118-G120 VanDerWaalsContact O-N 3.09Å; G120-R122 PolarHBondContact O-N 2.69Å
121N79.9Confident91.7Very high79 Ų7942.1 Ų42.142%0.42220%0.204SC..SBendtrans-75.344.8-179.4-166.3-6000112.5E444 N447N121-E444 PolarHBondContact ND2-O 3.09Å; N121-E444 VanDerWaalsContact ND2-O 3.13Å; N121-N447 WeakPolarHBondContact OD1-CA 3.37Å; N121-N447 WeakPolarHBondContact OD1-CB 3.44Å; N121-N447 PolarHBondContact OD1-OD1 2.85Å
122R84.8Confident91.4Very high159 Ų15946.9 Ų46.960%0.623%0.229SC*.  trans-99.5151.6-177.2-65.1-176.4-175.4177.84.5111.1Y115 G119 G120 Y126 N447Y115-R122 WeakPolarHBondContact OH-CB 3.41Å; G119-R122 WeakPolarHBondContact O-CD 3.28Å; G119-R122 WeakPolarHBondContact O-CG 3.48Å; G120-R122 PolarHBondContact O-N 2.69Å; R122-Y126 HydrophobicContact CB-CD2 4.22Å; R122-N447 PolarHBondContact O-ND2 3.4Å
123A87.1Confident91.2Very high37 Ų3751 Ų5131%0.30625%0.251SS..  trans-68.5156177.100000111.9Y115 M125 Y126Y115-A123 PolarHBondContact OH-O 2.71Å; A123-M125 HydrophobicContact CB-CG 4.13Å; A123-M125 PolarHBondContact O-N 2.83Å; A123-Y126 HydrophobicContact CB-CD2 4.29Å; A123-Y126 HydrophobicContact CB-CE2 4.45Å; A123-Y126 PolarHBondContact O-N 2.86Å
124M89.4Confident91.1Very high25 Ų2551.4 Ų51.412%0.12325%0.253CS..G310 helixtrans-57.7-24.3-179-69.4-54.4-58.200114.5I112 Y115 L116 Y126 F127 S147 F151I112-M124 HydrophobicContact CB-CE 4.36Å; I112-M124 HydrophobicContact CD1-CE 4.17Å; I112-M124 HydrophobicContact CG1-CE 3.95Å; I112-M124 HydrophobicContact CG2-CE 3.66Å; I112-M124 HydrophobicContact CG2-SD 4.16Å; Y115-M124 HydrophobicContact CD1-CE 4.1Å; Y115-M124 HydrophobicContact CD1-SD 3.85Å; Y115-M124 HydrophobicContact CE1-CE 4.38Å; Y115-M124 HydrophobicContact CE1-SD 3.81Å; L116-M124 HydrophobicContact CD2-SD 4.27Å; M124-Y126 PolarHBondContact O-N 2.77Å; M124-Y126 VanDerWaalsContact O-N 3.12Å; M124-F127 HydrophobicContact CE-CD2 4.31Å; M124-F127 VanDerWaalsContact O-CB 3.26Å; M124-F127 WeakPolarHBondContact O-CB 3.37Å; M124-F127 PolarHBondContact O-N 3.14Å; M124-S147 WeakPolarHBondContact CE-OG 3.44Å; M124-F151 HydrophobicContact CE-CZ 4.46Å; M124-F151 HydrophobicContact CG-CE2 4.39Å; M124-F151 HydrophobicContact SD-CZ 4.49Å
125M89.7Confident90.9Very high112 Ų11253.4 Ų53.455%0.55227%0.265SS*.G310 helixtrans-60.6-19.5175.666.6-178-79.500113.8A123A123-M125 HydrophobicContact CB-CG 4.13Å; A123-M125 PolarHBondContact O-N 2.83Å
126Y92.2Very high90.8Very high101 Ų10154 Ų5440%0.39627%0.268SS..G310 helixtrans-91.80.3178.2-61-76.2000113.8Y115 R122 A123 M124 K128 Y129 W130Y115-Y126 WeakPolarHBondContact OH-CB 3.34Å; R122-Y126 HydrophobicContact CB-CD2 4.22Å; A123-Y126 HydrophobicContact CB-CD2 4.29Å; A123-Y126 HydrophobicContact CB-CE2 4.45Å; A123-Y126 PolarHBondContact O-N 2.86Å; M124-Y126 PolarHBondContact O-N 2.77Å; M124-Y126 VanDerWaalsContact O-N 3.12Å; Y126-K128 PolarHBondContact O-N 3.17Å; Y126-Y129 AromaticContact CD1-CD2 3.83Å; Y126-Y129 HydrophobicContact CD1-CD2 3.83Å; Y126-Y129 AromaticContact CD1-CE2 3.87Å; Y126-Y129 HydrophobicContact CD1-CE2 3.87Å; Y126-Y129 HydrophobicContact CE1-CE2 4.48Å; Y126-Y129 PolarHBondContact O-N 3.11Å; Y126-Y129 VanDerWaalsContact O-N 3.09Å; Y126-W130 PolarHBondContact O-N 3.1Å
127F94.5Very high90.9Very high0 Ų055.1 Ų55.10%028%0.276CS..Hα-helixtrans-51.4-43.1176.6-177.6-83.8000111.6I112 Y115 M124 Y129 W130 A131 D141 I142I112-F127 HydrophobicContact CG1-CE2 4.48Å; Y115-F127 AromaticContact CD1-CD2 3.88Å; Y115-F127 HydrophobicContact CD1-CD2 3.88Å; Y115-F127 HydrophobicContact CD2-CD2 4.03Å; Y115-F127 HydrophobicContact CE1-CB 4.48Å; Y115-F127 AromaticContact CG-CD2 3.51Å; Y115-F127 HydrophobicContact CG-CD2 3.51Å; Y115-F127 HydrophobicContact CG-CE2 4.15Å; Y115-F127 HydrophobicContact CG-CG 4.42Å; M124-F127 HydrophobicContact CE-CD2 4.31Å; M124-F127 VanDerWaalsContact O-CB 3.26Å; M124-F127 WeakPolarHBondContact O-CB 3.37Å; M124-F127 PolarHBondContact O-N 3.14Å; F127-Y129 VanDerWaalsContact C-N 3.3Å; F127-Y129 PolarHBondContact O-N 2.72Å; F127-W130 HydrophobicContact CD2-CE3 4.43Å; F127-W130 HydrophobicContact CE2-CE3 4.06Å; F127-W130 AromaticContact CE2-CZ3 3.97Å; F127-W130 HydrophobicContact CE2-CZ3 3.97Å; F127-W130 HydrophobicContact CZ-CE3 4.3Å; F127-W130 HydrophobicContact CZ-CZ3 4.12Å; F127-W130 PolarHBondContact O-N 2.55Å; F127-W130 VanDerWaalsContact O-N 3.09Å; F127-A131 HydrophobicContact CD1-CB 3.96Å; F127-A131 HydrophobicContact CE1-CB 3.6Å; F127-A131 HydrophobicContact CZ-CB 4.28Å; F127-A131 WeakPolarHBondContact O-CB 3.47Å; F127-A131 PolarHBondContact O-N 3.39Å; F127-D141 WeakPolarHBondContact CD1-OD1 3.48Å; F127-I142 HydrophobicContact CD1-CB 3.91Å; F127-I142 HydrophobicContact CD1-CG1 4.39Å; F127-I142 HydrophobicContact CE1-CB 3.77Å; F127-I142 HydrophobicContact CE1-CD1 4.11Å; F127-I142 HydrophobicContact CE1-CG1 3.72Å; F127-I142 VanDerWaalsContact CE1-N 3.33Å; F127-I142 HydrophobicContact CE2-CD1 4.34Å; F127-I142 HydrophobicContact CG-CB 4.49Å; F127-I142 HydrophobicContact CZ-CB 4.23Å; F127-I142 HydrophobicContact CZ-CD1 3.78Å; F127-I142 HydrophobicContact CZ-CG1 3.94Å
128K94.2Very high90.8Very high108 Ų10855.4 Ų55.447%0.4728%0.279SS..Hα-helixtrans-49.9-46.5177.6-178177.2178.5-178.30113.6Y126 L132 D141Y126-K128 PolarHBondContact O-N 3.17Å; K128-L132 VanDerWaalsContact O-CG 3.29Å; K128-L132 WeakPolarHBondContact O-CG 3.35Å; K128-L132 PolarHBondContact O-N 3.06Å; K128-L132 VanDerWaalsContact O-N 3.16Å; K128-D141 WeakPolarHBondContact CA-OD1 3.48Å; K128-D141 WeakPolarHBondContact CB-OD1 3.32Å; K128-D141 WeakPolarHBondContact CB-OD2 3.42Å; K128-D141 WeakPolarHBondContact CG-OD2 3.47Å; K128-D141 PolarHBondContact N-OD1 2.78Å
129Y93Very high90.6Very high141 Ų14157.3 Ų57.355%0.55330%0.303SS*.Hα-helixtrans-71.6-33.8-176.9-58.9-74.7000112.2Y126 F127 N133Y126-Y129 AromaticContact CD1-CD2 3.83Å; Y126-Y129 HydrophobicContact CD1-CD2 3.83Å; Y126-Y129 AromaticContact CD1-CE2 3.87Å; Y126-Y129 HydrophobicContact CD1-CE2 3.87Å; Y126-Y129 HydrophobicContact CE1-CE2 4.48Å; Y126-Y129 PolarHBondContact O-N 3.11Å; Y126-Y129 VanDerWaalsContact O-N 3.09Å; F127-Y129 VanDerWaalsContact C-N 3.3Å; F127-Y129 PolarHBondContact O-N 2.72Å; Y129-N133 PolarHBondContact O-ND2 2.97Å
130W94.5Very high90.8Very high19 Ų1963 Ų637%0.07233%0.327CS..Hα-helixtrans-69.4-48.8174.1177.282.7000110.9T82 Y115 L118 Y126 F127 L132 N133 H134 H136T82-W130 HydrophobicContact CG2-CH2 4.38Å; T82-W130 HydrophobicContact CG2-CZ2 4.03Å; Y115-W130 HydrophobicContact CD2-CB 3.67Å; Y115-W130 AromaticContact CD2-CD2 3.79Å; Y115-W130 HydrophobicContact CD2-CD2 3.79Å; Y115-W130 AromaticContact CD2-CE3 3.95Å; Y115-W130 HydrophobicContact CD2-CE3 3.95Å; Y115-W130 AromaticContact CD2-CG 3.67Å; Y115-W130 HydrophobicContact CD2-CG 3.67Å; Y115-W130 HydrophobicContact CE2-CB 3.82Å; Y115-W130 HydrophobicContact CE2-CG 4.23Å; Y115-W130 HydrophobicContact CG-CE3 4.38Å; L118-W130 HydrophobicContact CB-CZ2 4.37Å; L118-W130 HydrophobicContact CD1-CZ2 4.14Å; Y126-W130 PolarHBondContact O-N 3.1Å; F127-W130 HydrophobicContact CD2-CE3 4.43Å; F127-W130 HydrophobicContact CE2-CE3 4.06Å; F127-W130 AromaticContact CE2-CZ3 3.97Å; F127-W130 HydrophobicContact CE2-CZ3 3.97Å; F127-W130 HydrophobicContact CZ-CE3 4.3Å; F127-W130 HydrophobicContact CZ-CZ3 4.12Å; F127-W130 PolarHBondContact O-N 2.55Å; F127-W130 VanDerWaalsContact O-N 3.09Å; W130-L132 VanDerWaalsContact C-N 3.3Å; W130-L132 PolarHBondContact O-N 3.23Å; W130-N133 PolarHBondContact O-N 2.84Å; W130-N133 VanDerWaalsContact O-N 3.09Å; W130-H134 AromaticContact CD1-CE1 3.42Å; W130-H134 VanDerWaalsContact CD1-CE1 3.42Å; W130-H134 AromaticContact CD1-ND1 3.42Å; W130-H134 AromaticContact CD1-NE2 3.96Å; W130-H134 HydrophobicContact CD2-CB 4.3Å; W130-H134 AromaticContact CE2-CD2 3.84Å; W130-H134 AromaticContact CE2-CG 3.59Å; W130-H134 AromaticContact CE2-ND1 3.82Å; W130-H134 AromaticContact CG-ND1 3.86Å; W130-H134 HydrophobicContact CH2-CB 4.29Å; W130-H134 HydrophobicContact CZ2-CB 3.94Å; W130-H134 AromaticContact CZ2-CD2 3.99Å; W130-H134 AromaticContact CZ2-CG 3.91Å; W130-H134 AromaticContact NE1-CD2 3.51Å; W130-H134 AromaticContact NE1-CE1 3.32Å; W130-H134 PolarHBondContact NE1-CE1 3.39Å; W130-H134 VanDerWaalsContact NE1-CE1 3.32Å; W130-H134 AromaticContact NE1-CG 3.49Å; W130-H134 AromaticContact NE1-ND1 3.37Å; W130-H134 PolarHBondContact NE1-ND1 3.31Å; W130-H134 AromaticContact NE1-NE2 3.39Å; W130-H134 PolarHBondContact NE1-NE2 3.17Å; W130-H134 PolarHBondContact O-N 3.38Å; W130-H134 PolarHBondContact O-ND1 3.05Å; W130-H136 HydrophobicContact CH2-CB 3.72Å; W130-H136 HydrophobicContact CZ3-CB 3.91Å; W130-H136 AromaticContact CZ3-CG 3.97Å
131A94.1Very high91.6Very high10 Ų1064.9 Ų64.98%0.08333%0.329CS..Hα-helixtrans-59.2-35.5-178.300000113.4F127 N133 H134F127-A131 HydrophobicContact CD1-CB 3.96Å; F127-A131 HydrophobicContact CE1-CB 3.6Å; F127-A131 HydrophobicContact CZ-CB 4.28Å; F127-A131 WeakPolarHBondContact O-CB 3.47Å; F127-A131 PolarHBondContact O-N 3.39Å; A131-N133 PolarHBondContact O-N 3.1Å; A131-H134 PolarHBondContact O-N 2.92Å
132L91.6Very high92.3Very high100 Ų10061.4 Ų61.452%0.52431%0.31SS..THydrogen-bonded Turntrans-59-31.3176.9-77.2170.7000113.6Q75 K128 W130Q75-L132 PolarHBondContact NE2-O 3.2Å; K128-L132 VanDerWaalsContact O-CG 3.29Å; K128-L132 WeakPolarHBondContact O-CG 3.35Å; K128-L132 PolarHBondContact O-N 3.06Å; K128-L132 VanDerWaalsContact O-N 3.16Å; W130-L132 VanDerWaalsContact C-N 3.3Å; W130-L132 PolarHBondContact O-N 3.23Å
133N92Very high92.7Very high86 Ų8655.3 Ų55.346%0.4629%0.292SS..THydrogen-bonded Turntrans-107-1.3-172.9-60.9-64.8000113S77 F78 Y129 W130 A131S77-N133 CarbonylContact C-O 3.57Å; S77-N133 WeakPolarHBondContact CA-O 3.39Å; F78-N133 HydrophobicContact CD2-CB 4.06Å; F78-N133 WeakPolarHBondContact CD2-O 3.35Å; F78-N133 HydrophobicContact CE2-CB 4.26Å; F78-N133 PolarHBondContact N-O 2.84Å; Y129-N133 PolarHBondContact O-ND2 2.97Å; W130-N133 PolarHBondContact O-N 2.84Å; W130-N133 VanDerWaalsContact O-N 3.09Å; A131-N133 PolarHBondContact O-N 3.1Å
134H94.3Very high92.8Very high12 Ų1255.6 Ų55.66%0.05629%0.292CS..BIsolated β-bridgetrans-124.3142.1-171.9-75.180.3000112.2F78 W130 A131 H136 E499F78-H134 AromaticContact CD2-CE1 3.77Å; F78-H134 AromaticContact CD2-NE2 3.98Å; F78-H134 WeakPolarHBondContact O-CA 2.94Å; W130-H134 AromaticContact CD1-CE1 3.42Å; W130-H134 VanDerWaalsContact CD1-CE1 3.42Å; W130-H134 AromaticContact CD1-ND1 3.42Å; W130-H134 AromaticContact CD1-NE2 3.96Å; W130-H134 HydrophobicContact CD2-CB 4.3Å; W130-H134 AromaticContact CE2-CD2 3.84Å; W130-H134 AromaticContact CE2-CG 3.59Å; W130-H134 AromaticContact CE2-ND1 3.82Å; W130-H134 AromaticContact CG-ND1 3.86Å; W130-H134 HydrophobicContact CH2-CB 4.29Å; W130-H134 HydrophobicContact CZ2-CB 3.94Å; W130-H134 AromaticContact CZ2-CD2 3.99Å; W130-H134 AromaticContact CZ2-CG 3.91Å; W130-H134 AromaticContact NE1-CD2 3.51Å; W130-H134 AromaticContact NE1-CE1 3.32Å; W130-H134 PolarHBondContact NE1-CE1 3.39Å; W130-H134 VanDerWaalsContact NE1-CE1 3.32Å; W130-H134 AromaticContact NE1-CG 3.49Å; W130-H134 AromaticContact NE1-ND1 3.37Å; W130-H134 PolarHBondContact NE1-ND1 3.31Å; W130-H134 AromaticContact NE1-NE2 3.39Å; W130-H134 PolarHBondContact NE1-NE2 3.17Å; W130-H134 PolarHBondContact O-N 3.38Å; W130-H134 PolarHBondContact O-ND1 3.05Å; A131-H134 PolarHBondContact O-N 2.92Å; H134-H136 PolarHBondContact O-CD2 3.45Å; H134-E499 IonicContact CE1-OE1 3.79Å; H134-E499 PolarHBondContact CE1-OE1 3.18Å; H134-E499 VanDerWaalsContact CE1-OE1 3.27Å; H134-E499 IonicContact NE2-OE1 3.21Å; H134-E499 PolarHBondContact NE2-OE1 3.3Å
135T93Very high92.9Very high41 Ų4159.9 Ų59.925%0.25231%0.311SS..  trans-77.9123163-54.90000108.7F78 Y79 T82 S503F78-T135 PolarHBondContact O-N 3.16Å; Y79-T135 HydrophobicContact CD2-CG2 3.9Å; Y79-T135 HydrophobicContact CE2-CG2 4.19Å; T82-T135 WeakPolarHBondContact CB-O 3.4Å; T82-T135 VanDerWaalsContact CG2-O 3.23Å; T82-T135 WeakPolarHBondContact CG2-O 3.37Å; T82-T135 PolarHBondContact OG1-O 2.81Å; T135-S503 PolarHBondContact OG1-OG 2.79Å
136H94.6Very high93.1Very high16 Ų1657.9 Ų57.97%0.07430%0.303CS..  trans-145.3161.5179.267.490.4000111.7S111 W130 H134 C138 G139 E140S111-H136 VanDerWaalsContact CB-ND1 3.33Å; S111-H136 WeakPolarHBondContact CB-ND1 3.34Å; S111-H136 PolarHBondContact OG-ND1 2.93Å; W130-H136 HydrophobicContact CH2-CB 3.72Å; W130-H136 HydrophobicContact CZ3-CB 3.91Å; W130-H136 AromaticContact CZ3-CG 3.97Å; H134-H136 PolarHBondContact O-CD2 3.45Å; H136-C138 VanDerWaalsContact C-N 3.32Å; H136-C138 PolarHBondContact O-N 2.84Å; H136-C138 VanDerWaalsContact O-N 3.13Å; H136-G139 PolarHBondContact CE1-N 2.85Å; H136-G139 PolarHBondContact ND1-N 3.44Å; H136-G139 PolarHBondContact O-N 3.06Å; H136-E140 PolarHBondContact CE1-N 3.39Å; H136-E140 PolarHBondContact CE1-O 2.92Å; H136-E140 VanDerWaalsContact CE1-O 3.23Å
137P95Very high93.2Very high30 Ų3053.1 Ų53.120%0.19528%0.284CS..THydrogen-bonded Turntrans-61.6-28.7-165.2-3139.6000116.7R107 L110 Y114R107-P137 HydrophobicContact CB-CB 4.32Å; R107-P137 WeakPolarHBondContact CD-O 3.03Å; L110-P137 HydrophobicContact CB-CB 4.11Å; L110-P137 HydrophobicContact CB-CG 3.88Å; Y114-P137 HydrophobicContact CD2-CG 4.22Å; Y114-P137 HydrophobicContact CE2-CG 3.67Å
138C93Very high93.1Very high23 Ų2355.8 Ų55.816%0.15530%0.303CS..THydrogen-bonded Turntrans-81-33.4175.9-168.90000112.3R108 S111 H136 E140 I142R108-C138 HydrophobicContact CG-CB 4.33Å; R108-C138 VanDerWaalsContact CG-SG 3.52Å; S111-C138 WeakPolarHBondContact OG-CB 3.49Å; S111-C138 PolarHBondContact OG-N 2.91Å; H136-C138 VanDerWaalsContact C-N 3.32Å; H136-C138 PolarHBondContact O-N 2.84Å; H136-C138 VanDerWaalsContact O-N 3.13Å; C138-E140 PolarHBondContact O-N 3.4Å; C138-I142 HydrophobicContact CB-CD1 4.43Å
139G91.3Very high93.1Very high59 Ų5958.5 Ų58.561%0.60831%0.311SS*.  trans68.52.9-178.300000116H136H136-G139 PolarHBondContact CE1-N 2.85Å; H136-G139 PolarHBondContact ND1-N 3.44Å; H136-G139 PolarHBondContact O-N 3.06Å
140E91.2Very high93.2Very high129 Ų12952.4 Ų52.460%0.60329%0.287SS*.SBendtrans-134.6155.4-178-66.2174.3-175.700110.1H136 C138H136-E140 PolarHBondContact CE1-N 3.39Å; H136-E140 PolarHBondContact CE1-O 2.92Å; H136-E140 VanDerWaalsContact CE1-O 3.23Å; C138-E140 PolarHBondContact O-N 3.4Å
141D94.3Very high93.3Very high76 Ų7651.8 Ų51.841%0.40629%0.285SS..  trans-57.4143.8174-175.123.7000111.5F127 K128F127-D141 WeakPolarHBondContact CD1-OD1 3.48Å; K128-D141 WeakPolarHBondContact CA-OD1 3.48Å; K128-D141 WeakPolarHBondContact CB-OD1 3.32Å; K128-D141 WeakPolarHBondContact CB-OD2 3.42Å; K128-D141 WeakPolarHBondContact CG-OD2 3.47Å; K128-D141 PolarHBondContact N-OD1 2.78Å
142I94.6Very high93.3Very high6 Ų653.4 Ų53.43%0.03130%0.299CS..  trans-120.599.7172.7-53.5174.1000106.1R108 I112 F127 C138 D146 S147R108-I142 HydrophobicContact CB-CD1 3.91Å; R108-I142 HydrophobicContact CG-CD1 4.14Å; I112-I142 HydrophobicContact CD1-CG2 4.38Å; I112-I142 HydrophobicContact CG1-CD1 3.99Å; F127-I142 HydrophobicContact CD1-CB 3.91Å; F127-I142 HydrophobicContact CD1-CG1 4.39Å; F127-I142 HydrophobicContact CE1-CB 3.77Å; F127-I142 HydrophobicContact CE1-CD1 4.11Å; F127-I142 HydrophobicContact CE1-CG1 3.72Å; F127-I142 VanDerWaalsContact CE1-N 3.33Å; F127-I142 HydrophobicContact CE2-CD1 4.34Å; F127-I142 HydrophobicContact CG-CB 4.49Å; F127-I142 HydrophobicContact CZ-CB 4.23Å; F127-I142 HydrophobicContact CZ-CD1 3.78Å; F127-I142 HydrophobicContact CZ-CG1 3.94Å; C138-I142 HydrophobicContact CB-CD1 4.43Å; I142-D146 HydrophobicContact CG2-CB 4.23Å; I142-S147 WeakPolarHBondContact CG2-OG 3.47Å
143S93.3Very high93.5Very high31 Ų3152.1 Ų52.122%0.21730%0.298CS..  trans-56.6159.1-179.175.70000111.6Q145 D146 S147S143-Q145 PolarHBondContact O-N 3.45Å; S143-D146 PolarHBondContact O-N 2.73Å; S143-D146 WeakPolarHBondContact OG-CB 3.15Å; S143-D146 PolarHBondContact OG-N 2.8Å; S143-D146 PolarHBondContact OG-OD2 3.06Å; S143-S147 WeakPolarHBondContact O-CB 3.19Å; S143-S147 PolarHBondContact O-N 3.04Å; S143-S147 PolarHBondContact O-OG 2.88Å
144S90.1Very high93.7Very high42 Ų4248.6 Ų48.629%0.29428%0.279SS..Hα-helixtrans-57.2-36.7174.346.30000112.5S147 S148S144-S147 PolarHBondContact O-N 3.16Å; S144-S148 PolarHBondContact O-N 2.81Å; S144-S148 PolarHBondContact O-OG 2.82Å
145Q91.6Very high93.7Very high115 Ų11550.3 Ų50.354%0.53729%0.292SS..Hα-helixtrans-67.9-42.8178.7-67.179.3-2.900110.9S143 S148 R149S143-Q145 PolarHBondContact O-N 3.45Å; Q145-S148 PolarHBondContact O-N 3.26Å; Q145-R149 WeakPolarHBondContact O-CG 3.35Å; Q145-R149 PolarHBondContact O-N 3.05Å
146D93.1Very high93.7Very high70 Ų7054.4 Ų54.437%0.37431%0.309SS..Hα-helixtrans-71.3-35.5177.9-62.6-39.9000111.7I142 S143 R149 L150I142-D146 HydrophobicContact CG2-CB 4.23Å; S143-D146 PolarHBondContact O-N 2.73Å; S143-D146 WeakPolarHBondContact OG-CB 3.15Å; S143-D146 PolarHBondContact OG-N 2.8Å; S143-D146 PolarHBondContact OG-OD2 3.06Å; D146-R149 PolarHBondContact O-N 2.99Å; D146-R149 IonicContact OD1-CZ 2.69Å; D146-R149 IonicContact OD1-NH1 2.97Å; D146-R149 PolarHBondContact OD1-NH1 2.85Å; D146-L150 VanDerWaalsContact O-CB 3.25Å; D146-L150 WeakPolarHBondContact O-CB 3.42Å; D146-L150 PolarHBondContact O-N 3.04Å
147S93.5Very high93.7Very high1 Ų160.6 Ų60.61%0.00734%0.338CS..Hα-helixtrans-58.5-48.9170.4-62.30000110.8M124 I142 S143 S144 R149 L150 F151M124-S147 WeakPolarHBondContact CE-OG 3.44Å; I142-S147 WeakPolarHBondContact CG2-OG 3.47Å; S143-S147 WeakPolarHBondContact O-CB 3.19Å; S143-S147 PolarHBondContact O-N 3.04Å; S143-S147 PolarHBondContact O-OG 2.88Å; S144-S147 PolarHBondContact O-N 3.16Å; S147-R149 PolarHBondContact O-N 3.24Å; S147-L150 PolarHBondContact O-N 2.95Å; S147-F151 WeakPolarHBondContact O-CD2 3.38Å; S147-F151 WeakPolarHBondContact O-CG 3.38Å; S147-F151 PolarHBondContact O-N 3.37Å
148S92.2Very high93.7Very high57 Ų5760.4 Ų60.440%0.39934%0.337SS..Hα-helixtrans-62-40.7177.1-68.20000112.9S144 Q145 F151 A152S144-S148 PolarHBondContact O-N 2.81Å; S144-S148 PolarHBondContact O-OG 2.82Å; Q145-S148 PolarHBondContact O-N 3.26Å; S148-F151 PolarHBondContact O-N 2.96Å; S148-A152 WeakPolarHBondContact O-CB 3.24Å; S148-A152 PolarHBondContact O-N 3.39Å
149R94.3Very high93.8Very high165 Ų16560.3 Ų60.362%0.62334%0.335SS*.Hα-helixtrans-64.7-43.1175.1-73.2173.5-172.4149.5-3.7111.9Q145 D146 S147 F151 A152 S153Q145-R149 WeakPolarHBondContact O-CG 3.35Å; Q145-R149 PolarHBondContact O-N 3.05Å; D146-R149 PolarHBondContact O-N 2.99Å; D146-R149 IonicContact OD1-CZ 2.69Å; D146-R149 IonicContact OD1-NH1 2.97Å; D146-R149 PolarHBondContact OD1-NH1 2.85Å; S147-R149 PolarHBondContact O-N 3.24Å; R149-F151 VanDerWaalsContact C-N 3.33Å; R149-A152 PolarHBondContact O-N 3.06Å; R149-S153 PolarHBondContact O-N 2.89Å
150L95.6Very high93.9Very high12 Ų1260.9 Ų60.96%0.06332%0.319CS..Hα-helixtrans-63.6-39.6176.6178.258.2000111.2D105 R108 L109 I112 D146 S147 S153D105-L150 HydrophobicContact CB-CD1 3.61Å; R108-L150 HydrophobicContact CB-CD2 3.69Å; L109-L150 HydrophobicContact CD2-CD1 4.01Å; L109-L150 HydrophobicContact CD2-CD2 3.8Å; L109-L150 HydrophobicContact CD2-CG 3.79Å; L109-L150 HydrophobicContact CG-CD1 4.3Å; L109-L150 HydrophobicContact CG-CD2 4.21Å; L109-L150 HydrophobicContact CG-CG 4.47Å; I112-L150 HydrophobicContact CD1-CD2 3.81Å; D146-L150 VanDerWaalsContact O-CB 3.25Å; D146-L150 WeakPolarHBondContact O-CB 3.42Å; D146-L150 PolarHBondContact O-N 3.04Å; S147-L150 PolarHBondContact O-N 2.95Å; L150-S153 PolarHBondContact O-N 3.27Å; L150-S153 PolarHBondContact O-OG 2.86Å
151F95.9Very high94Very high7 Ų756.4 Ų56.43%0.03130%0.302CS..Hα-helixtrans-63.4-45.3172.5-60.6-25.5000111.5I112 M124 S147 S148 R149 S153 I154 G461 K462 V465I112-F151 HydrophobicContact CD1-CE1 3.82Å; I112-F151 HydrophobicContact CD1-CZ 4.12Å; I112-F151 HydrophobicContact CG2-CE1 4.1Å; I112-F151 HydrophobicContact CG2-CZ 3.99Å; M124-F151 HydrophobicContact CE-CZ 4.46Å; M124-F151 HydrophobicContact CG-CE2 4.39Å; M124-F151 HydrophobicContact SD-CZ 4.49Å; S147-F151 WeakPolarHBondContact O-CD2 3.38Å; S147-F151 WeakPolarHBondContact O-CG 3.38Å; S147-F151 PolarHBondContact O-N 3.37Å; S148-F151 PolarHBondContact O-N 2.96Å; R149-F151 VanDerWaalsContact C-N 3.33Å; F151-S153 PolarHBondContact O-N 3.2Å; F151-I154 PolarHBondContact O-N 3.21Å; F151-G461 VanDerWaalsContact O-CA 3.31Å; F151-G461 WeakPolarHBondContact O-CA 3.41Å; F151-K462 HydrophobicContact CD2-CB 3.91Å; F151-K462 HydrophobicContact CD2-CG 4.42Å; F151-K462 HydrophobicContact CE2-CB 4.16Å; F151-K462 HydrophobicContact CE2-CD 4.39Å; F151-K462 HydrophobicContact CE2-CG 4.18Å; F151-K462 HydrophobicContact CG-CB 4.2Å; F151-V465 HydrophobicContact CD1-CG2 3.85Å; F151-V465 HydrophobicContact CE1-CB 4.14Å; F151-V465 HydrophobicContact CE1-CG1 4.42Å; F151-V465 HydrophobicContact CE1-CG2 3.63Å
152A94.9Very high94Very high44 Ų4452.9 Ų52.936%0.36428%0.283SS..Hα-helixtrans-65.6-22.1178.500000113.8S148 R149 E457S148-A152 WeakPolarHBondContact O-CB 3.24Å; S148-A152 PolarHBondContact O-N 3.39Å; R149-A152 PolarHBondContact O-N 3.06Å; A152-E457 HydrophobicContact CB-CB 4.13Å
153S95.4Very high93.9Very high72 Ų7252.8 Ų52.850%0.50328%0.283SS..Hα-helixtrans-83-12.2177.773.20000114.1R149 L150 F151 S155R149-S153 PolarHBondContact O-N 2.89Å; L150-S153 PolarHBondContact O-N 3.27Å; L150-S153 PolarHBondContact O-OG 2.86Å; F151-S153 PolarHBondContact O-N 3.2Å; S153-S155 PolarHBondContact O-N 3.35Å; S153-S155 VanDerWaalsContact O-N 3.13Å
154I96.4Very high93.7Very high12 Ų1255.3 Ų55.36%0.06229%0.288CS..  trans-71.4108.3177-67.5162.1000109.4F102 L109 F151 V159 G461 F464 V465F102-I154 HydrophobicContact CE1-CB 4.35Å; F102-I154 HydrophobicContact CE1-CG1 3.97Å; F102-I154 HydrophobicContact CE1-CG2 4.08Å; F102-I154 HydrophobicContact CZ-CG1 4.41Å; F102-I154 HydrophobicContact CZ-CG2 4.04Å; L109-I154 HydrophobicContact CD2-CD1 3.86Å; L109-I154 HydrophobicContact CD2-CG1 4.46Å; F151-I154 PolarHBondContact O-N 3.21Å; I154-V159 HydrophobicContact CG2-CG2 3.49Å; I154-V159 VanDerWaalsContact CG2-CG2 3.49Å; I154-G461 WeakPolarHBondContact CD1-O 3.45Å; I154-F464 HydrophobicContact CD1-CD1 3.81Å; I154-F464 HydrophobicContact CG1-CD1 4.46Å; I154-F464 HydrophobicContact CG2-CB 4.25Å; I154-F464 HydrophobicContact CG2-CD1 4.07Å; I154-F464 HydrophobicContact CG2-CG 4.22Å; I154-V465 HydrophobicContact CD1-CG2 3.88Å
155S94.9Very high93.8Very high49 Ų4955.7 Ų55.734%0.34329%0.287SS..  trans-80.2153.1177.676.70000112.1S153 E157 S158 V159S153-S155 PolarHBondContact O-N 3.35Å; S153-S155 VanDerWaalsContact O-N 3.13Å; S155-E157 PolarHBondContact O-N 2.88Å; S155-S158 PolarHBondContact O-N 3.38Å; S155-S158 PolarHBondContact OG-N 2.8Å; S155-S158 VanDerWaalsContact OG-N 3.1Å; S155-S158 PolarHBondContact OG-OG 2.9Å; S155-V159 WeakPolarHBondContact O-CG2 3.35Å; S155-V159 PolarHBondContact O-N 2.66Å; S155-V159 VanDerWaalsContact O-N 3.12Å
156E92.4Very high93.5Very high127 Ų12750.3 Ų50.359%0.59326%0.261SS*.Hα-helixtrans-60.2-33.1173.1-172.9177.717000111.9V159 R160E156-V159 PolarHBondContact O-N 3.39Å; E156-R160 HydrophobicContact CG-CG 4.4Å; E156-R160 WeakPolarHBondContact O-CB 3.49Å; E156-R160 WeakPolarHBondContact O-CG 3.5Å; E156-R160 PolarHBondContact O-N 2.92Å; E156-R160 IonicContact OE1-CZ 3.16Å; E156-R160 IonicContact OE1-NE 3.77Å; E156-R160 PolarHBondContact OE1-NE 2.76Å; E156-R160 IonicContact OE1-NH2 3.97Å; E156-R160 PolarHBondContact OE1-NH2 2.74Å
157E94.8Very high92.8Very high146 Ų14647.1 Ų47.168%0.68225%0.246SC*.Hα-helixtrans-62.3-44.7175.8-177.2176.3-16600112.1S155 R160 S161S155-E157 PolarHBondContact O-N 2.88Å; E157-R160 PolarHBondContact O-N 3.49Å; E157-S161 WeakPolarHBondContact O-CB 3.41Å; E157-S161 PolarHBondContact O-N 3.15Å; E157-S161 PolarHBondContact O-OG 3.26Å
158S95.3Very high92Very high26 Ų2657 Ų5718%0.18228%0.282CS..Hα-helixtrans-66.6-39.9177.3-64.10000111.5F102 S155 S161 F162F102-S158 VanDerWaalsContact CZ-CB 3.4Å; S155-S158 PolarHBondContact O-N 3.38Å; S155-S158 PolarHBondContact OG-N 2.8Å; S155-S158 VanDerWaalsContact OG-N 3.1Å; S155-S158 PolarHBondContact OG-OG 2.9Å; S158-S161 PolarHBondContact O-N 3.09Å; S158-F162 PolarHBondContact O-N 3.21Å
159V94.6Very high91.3Very high20 Ų2060.7 Ų60.712%0.12129%0.288CS..Hα-helixtrans-61.6-47.5174.7175.20000111.3I154 S155 E156 S161 F162 A163 Y223 F464I154-V159 HydrophobicContact CG2-CG2 3.49Å; I154-V159 VanDerWaalsContact CG2-CG2 3.49Å; S155-V159 WeakPolarHBondContact O-CG2 3.35Å; S155-V159 PolarHBondContact O-N 2.66Å; S155-V159 VanDerWaalsContact O-N 3.12Å; E156-V159 PolarHBondContact O-N 3.39Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-S161 PolarHBondContact O-N 3.17Å; V159-F162 WeakPolarHBondContact O-CB 3.43Å; V159-F162 PolarHBondContact O-N 2.67Å; V159-A163 PolarHBondContact O-N 3.24Å; V159-Y223 HydrophobicContact CG1-CE1 3.95Å; V159-F464 HydrophobicContact CB-CD2 4.27Å; V159-F464 HydrophobicContact CG1-CD2 3.96Å; V159-F464 HydrophobicContact CG1-CE2 4.48Å; V159-F464 HydrophobicContact CG2-CB 4.1Å; V159-F464 HydrophobicContact CG2-CD2 3.72Å; V159-F464 HydrophobicContact CG2-CE2 4.33Å; V159-F464 HydrophobicContact CG2-CG 3.9Å
160R92.6Very high90.2Very high72 Ų7254 Ų5427%0.27226%0.263SS..Hα-helixtrans-63.5-37176.8-73.1179.6-179.9-150.72.5111.7E156 E157 A163 R164 L246E156-R160 HydrophobicContact CG-CG 4.4Å; E156-R160 WeakPolarHBondContact O-CB 3.49Å; E156-R160 WeakPolarHBondContact O-CG 3.5Å; E156-R160 PolarHBondContact O-N 2.92Å; E156-R160 IonicContact OE1-CZ 3.16Å; E156-R160 IonicContact OE1-NE 3.77Å; E156-R160 PolarHBondContact OE1-NE 2.76Å; E156-R160 IonicContact OE1-NH2 3.97Å; E156-R160 PolarHBondContact OE1-NH2 2.74Å; E157-R160 PolarHBondContact O-N 3.49Å; R160-A163 PolarHBondContact O-N 3.16Å; R160-R164 WeakPolarHBondContact O-CG 3.45Å; R160-R164 PolarHBondContact O-N 3.14Å; R160-L246 HydrophobicContact CB-CD2 4.1Å; R160-L246 HydrophobicContact CG-CD2 4.37Å
161S94.1Very high88.5Confident35 Ų3560.1 Ų60.125%0.24530%0.295CS..Hα-helixtrans-65.4-43.1176-61.70000111.7E157 S158 V159 A163 R164 L165E157-S161 WeakPolarHBondContact O-CB 3.41Å; E157-S161 PolarHBondContact O-N 3.15Å; E157-S161 PolarHBondContact O-OG 3.26Å; S158-S161 PolarHBondContact O-N 3.09Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-S161 PolarHBondContact O-N 3.17Å; S161-A163 PolarHBondContact O-N 3.04Å; S161-R164 PolarHBondContact O-N 3.06Å; S161-L165 WeakPolarHBondContact O-CG 3.42Å; S161-L165 PolarHBondContact O-N 2.97Å; S161-L165 VanDerWaalsContact O-N 3.11Å
162F94.8Very high86.7Confident2 Ų267.7 Ų67.71%0.00933%0.33CS..Hα-helixtrans-59.4-45.9172.9-179.1-92.1000111.4I94 D97 L98 C101 S158 V159 R164 L165 Q166 F464 F467 V468 I471I94-F162 HydrophobicContact CG2-CE2 4.44Å; I94-F162 HydrophobicContact CG2-CZ 4.38Å; D97-F162 HydrophobicContact CB-CD2 3.76Å; D97-F162 HydrophobicContact CB-CE2 3.7Å; L98-F162 HydrophobicContact CD2-CD2 3.98Å; L98-F162 HydrophobicContact CD2-CE2 3.85Å; L98-F162 HydrophobicContact CG-CD2 4.37Å; L98-F162 HydrophobicContact CG-CE2 3.91Å; C101-F162 PolarHBondContact SG-N 2.89Å; C101-F162 VanDerWaalsContact SG-N 3.44Å; S158-F162 PolarHBondContact O-N 3.21Å; V159-F162 WeakPolarHBondContact O-CB 3.43Å; V159-F162 PolarHBondContact O-N 2.67Å; F162-R164 PolarHBondContact O-N 3.43Å; F162-L165 PolarHBondContact O-N 2.96Å; F162-Q166 HydrophobicContact CD1-CG 4.02Å; F162-Q166 HydrophobicContact CE1-CG 3.54Å; F162-Q166 HydrophobicContact CE2-CG 4.36Å; F162-Q166 HydrophobicContact CZ-CG 3.73Å; F162-Q166 PolarHBondContact O-N 3.13Å; F162-F464 HydrophobicContact CB-CE2 4Å; F162-F464 HydrophobicContact CB-CZ 4.14Å; F162-F464 AromaticContact CD1-CE2 3.66Å; F162-F464 HydrophobicContact CD1-CE2 3.66Å; F162-F464 HydrophobicContact CD1-CZ 4.09Å; F162-F464 HydrophobicContact CD2-CE2 4.49Å; F162-F464 HydrophobicContact CD2-CZ 4.12Å; F162-F464 HydrophobicContact CE1-CE2 4.25Å; F162-F464 AromaticContact CG-CE2 3.79Å; F162-F464 HydrophobicContact CG-CE2 3.79Å; F162-F464 AromaticContact CG-CZ 3.85Å; F162-F464 HydrophobicContact CG-CZ 3.85Å; F162-F467 HydrophobicContact CE1-CE1 4.12Å; F162-V468 HydrophobicContact CE1-CG2 4.16Å; F162-V468 HydrophobicContact CZ-CG2 4.02Å; F162-I471 HydrophobicContact CE1-CD1 4.12Å; F162-I471 HydrophobicContact CZ-CD1 4.25Å
163A91.4Very high85.5Confident4 Ų475.4 Ų75.43%0.03335%0.35CS..Hα-helixtrans-57.6-49.1176.100000111.7V159 R160 S161 L165 Q166 G167 Y222 L246 Y248V159-A163 PolarHBondContact O-N 3.24Å; R160-A163 PolarHBondContact O-N 3.16Å; S161-A163 PolarHBondContact O-N 3.04Å; A163-L165 VanDerWaalsContact C-N 3.3Å; A163-L165 PolarHBondContact O-N 2.8Å; A163-Q166 PolarHBondContact O-N 3.29Å; A163-G167 PolarHBondContact O-N 3.35Å; A163-Y222 HydrophobicContact CB-CD2 3.78Å; A163-Y222 HydrophobicContact CB-CE2 4.22Å; A163-L246 HydrophobicContact CB-CD1 4.49Å; A163-L246 HydrophobicContact CB-CD2 4.37Å; A163-Y248 VanDerWaalsContact C-OH 3.29Å; A163-Y248 PolarHBondContact O-OH 2.65Å
164R90.5Very high84.7Confident83 Ų8372.7 Ų72.731%0.31333%0.329SS..Hα-helixtrans-54.2-44.2176.7-71.7179.1-172.1124-4.3112.3R160 S161 F162 R168 L246R160-R164 WeakPolarHBondContact O-CG 3.45Å; R160-R164 PolarHBondContact O-N 3.14Å; S161-R164 PolarHBondContact O-N 3.06Å; F162-R164 PolarHBondContact O-N 3.43Å; R164-R168 VanDerWaalsContact O-CG 3.3Å; R164-R168 WeakPolarHBondContact O-CG 3.31Å; R164-R168 PolarHBondContact O-N 2.66Å; R164-L246 HydrophobicContact CG-CB 4.36Å; R164-L246 HydrophobicContact CG-CD2 3.78Å
165L90.6Very high84Confident50 Ų5072.7 Ų72.726%0.26233%0.328SS..Hα-helixtrans-65.4-46.4178.4-67.7173.4000111.9D97 A100 S161 F162 A163D97-L165 HydrophobicContact CB-CB 4.22Å; D97-L165 HydrophobicContact CB-CD1 3.97Å; A100-L165 HydrophobicContact CB-CD1 4.17Å; S161-L165 WeakPolarHBondContact O-CG 3.42Å; S161-L165 PolarHBondContact O-N 2.97Å; S161-L165 VanDerWaalsContact O-N 3.11Å; F162-L165 PolarHBondContact O-N 2.96Å; A163-L165 VanDerWaalsContact C-N 3.3Å; A163-L165 PolarHBondContact O-N 2.8Å
166Q86.9Confident83.7Confident2 Ų270.9 Ų70.91%0.00931%0.314CS..Hα-helixtrans-61.6-48.4178.4-79.1-68.6-62.100112.3D97 F162 A163 R168 R169D97-Q166 PolarHBondContact OD2-NE2 3.09Å; F162-Q166 HydrophobicContact CD1-CG 4.02Å; F162-Q166 HydrophobicContact CE1-CG 3.54Å; F162-Q166 HydrophobicContact CE2-CG 4.36Å; F162-Q166 HydrophobicContact CZ-CG 3.73Å; F162-Q166 PolarHBondContact O-N 3.13Å; A163-Q166 PolarHBondContact O-N 3.29Å; Q166-R168 PolarHBondContact O-N 2.88Å; Q166-R169 WeakPolarHBondContact O-CB 3.45Å; Q166-R169 PolarHBondContact O-N 3.17Å
167G77.5Confident83.6Confident4 Ų465 Ų654%0.04129%0.288CS..Hα-helixtrans-71.8-26.5-176.600000114.1A163 R169 R170 Y248A163-G167 PolarHBondContact O-N 3.35Å; G167-R169 PolarHBondContact O-N 3.17Å; G167-R170 PolarHBondContact O-N 3.23Å; G167-Y248 WeakPolarHBondContact CA-OH 3.39Å
168R76.9Confident83.5Confident207 Ų20758.1 Ų58.178%0.78126%0.255SS*.Hα-helixtrans-59.2-27.6171.2-80.6176.1-177.8-173.81.3113.1R164 Q166 R170R164-R168 VanDerWaalsContact O-CG 3.3Å; R164-R168 WeakPolarHBondContact O-CG 3.31Å; R164-R168 PolarHBondContact O-N 2.66Å; Q166-R168 PolarHBondContact O-N 2.88Å; R168-R170 VanDerWaalsContact C-N 3.32Å
169R78.6Confident83.4Confident135 Ų13557.2 Ų57.251%0.50925%0.248SC..THydrogen-bonded Turntrans-80.4-14.1177.3-58.1174.6-165.7-113.35112.6G93 D97 Q166 G167G93-R169 PolarHBondContact O-NH2 3.43Å; D97-R169 IonicContact OD1-CZ 3.61Å; D97-R169 IonicContact OD1-NE 2.6Å; D97-R169 IonicContact OD1-NH2 2.92Å; D97-R169 PolarHBondContact OD1-NH2 3.08Å; D97-R169 IonicContact OD2-CZ 2.74Å; D97-R169 IonicContact OD2-NE 3.25Å; D97-R169 PolarHBondContact OD2-NE 2.98Å; D97-R169 IonicContact OD2-NH2 3.16Å; Q166-R169 WeakPolarHBondContact O-CB 3.45Å; Q166-R169 PolarHBondContact O-N 3.17Å; G167-R169 PolarHBondContact O-N 3.17Å
170R69.4Low83.3Confident26 Ų2656.4 Ų56.410%0.09824%0.243CC..SBendtrans-107.3109.7-173.1-58.9-165.3-169.2178.110.4109.9G167 R168 L219 P220G167-R170 PolarHBondContact O-N 3.23Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R170-L219 VanDerWaalsContact CZ-CB 3.41Å; R170-L219 PolarHBondContact NH1-O 2.95Å; R170-P220 PolarHBondContact NH1-O 2.88Å; R170-P220 PolarHBondContact NH2-O 3.03Å
171L60.9Low83.4Confident140 Ų14053.4 Ų53.473%0.73323%0.233SC*.  trans-59.6144-168.6-73.6153.4000113R173L171-R173 PolarHBondContact O-N 2.92Å
172E58.4Low83.4Confident166 Ų16651.9 Ų51.978%0.77622%0.222SC*.THydrogen-bonded Turntrans-56.1-2.4179.8-58.4179.515700116
173R68.3Low83.4Confident206 Ų20652 Ų5278%0.77722%0.223SC*.THydrogen-bonded Turntrans-101.9-12.1-165.9-64.2-171.6179.4-172.10.7115.1L171L171-R173 PolarHBondContact O-N 2.92Å
174E79.4Confident83.4Confident14 Ų1451.9 Ų51.97%0.06522%0.222CC..SBendtrans-92.5155-17966.8177.5164.800113.1G214 E215 K216 S217E174-G214 WeakPolarHBondContact OE1-CA 3.27Å; E174-G214 WeakPolarHBondContact OE2-CA 3.41Å; E174-E215 PolarHBondContact OE2-N 3.28Å; E174-K216 HydrophobicContact CB-CB 4.25Å; E174-K216 HydrophobicContact CB-CD 4.34Å; E174-K216 HydrophobicContact CB-CG 4.2Å; E174-K216 WeakPolarHBondContact OE2-CB 3.29Å; E174-K216 PolarHBondContact OE2-N 2.89Å; E174-S217 PolarHBondContact OE1-OG 3Å; E174-S217 PolarHBondContact OE2-N 3.11Å; E174-S217 PolarHBondContact OE2-OG 2.92Å
175Y82.2Confident83.5Confident13 Ų1348.7 Ų48.75%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-74.8141.1167.5-85.2-93.1000110.6E215 K252 V254 I276 E418 V419 T428Y175-E215 WeakPolarHBondContact O-CB 3.33Å; Y175-E215 PolarHBondContact O-N 3.17Å; Y175-K252 CarbonylContact C-O 3.6Å; Y175-K252 WeakPolarHBondContact CA-O 3.47Å; Y175-K252 HydrophobicContact CD1-CB 3.62Å; Y175-K252 HydrophobicContact CD2-CB 4.28Å; Y175-K252 HydrophobicContact CD2-CD 4.01Å; Y175-K252 HydrophobicContact CE1-CB 3.76Å; Y175-K252 HydrophobicContact CE1-CD 4.45Å; Y175-K252 HydrophobicContact CE2-CB 4.37Å; Y175-K252 HydrophobicContact CE2-CD 3.72Å; Y175-K252 HydrophobicContact CG-CB 3.9Å; Y175-K252 HydrophobicContact CG-CD 4.45Å; Y175-V254 HydrophobicContact CD1-CG2 3.59Å; Y175-V254 HydrophobicContact CG-CG2 4.03Å; Y175-I276 HydrophobicContact CD1-CD1 4.29Å; Y175-I276 HydrophobicContact CE1-CD1 3.76Å; Y175-I276 HydrophobicContact CE1-CG1 3.96Å; Y175-E418 PolarHBondContact OH-OE2 3.43Å; Y175-V419 HydrophobicContact CE2-CG2 4.37Å; Y175-V419 WeakPolarHBondContact OH-CG2 3.26Å; Y175-T428 HydrophobicContact CD1-CG2 3.96Å; Y175-T428 HydrophobicContact CD2-CG2 3.82Å; Y175-T428 HydrophobicContact CE2-CG2 4.42Å; Y175-T428 HydrophobicContact CG-CG2 3.58Å
176W88.4Confident83.3Confident10 Ų1053.7 Ų53.74%0.03823%0.229CC..EExtended strand (participates in β ladder)trans-109110.6-179.8-63.7-4.1000109.2Y178 L212 F213 F221 L243 Y248 V251 K252 F253 V254W176-Y178 PolarHBondContact O-N 2.97Å; W176-L212 HydrophobicContact CE3-CD1 4.37Å; W176-F213 CarbonylContact C-O 3.57Å; W176-F213 WeakPolarHBondContact CA-O 3.34Å; W176-F221 HydrophobicContact CB-CZ 4.24Å; W176-F221 AromaticContact CD2-CE1 3.92Å; W176-F221 HydrophobicContact CD2-CE1 3.92Å; W176-F221 HydrophobicContact CD2-CE2 4.05Å; W176-F221 AromaticContact CD2-CZ 3.24Å; W176-F221 HydrophobicContact CD2-CZ 3.24Å; W176-F221 AromaticContact CE2-CZ 3.68Å; W176-F221 HydrophobicContact CE3-CE1 4.34Å; W176-F221 AromaticContact CE3-CE2 3.67Å; W176-F221 HydrophobicContact CE3-CE2 3.67Å; W176-F221 AromaticContact CE3-CZ 3.25Å; W176-F221 HydrophobicContact CE3-CZ 3.25Å; W176-F221 AromaticContact CG-CE1 3.95Å; W176-F221 HydrophobicContact CG-CE1 3.95Å; W176-F221 AromaticContact CG-CZ 3.66Å; W176-F221 HydrophobicContact CG-CZ 3.66Å; W176-F221 HydrophobicContact CH2-CE2 4.01Å; W176-F221 HydrophobicContact CH2-CZ 4.15Å; W176-F221 HydrophobicContact CZ2-CE2 4.35Å; W176-F221 HydrophobicContact CZ2-CZ 4.14Å; W176-F221 AromaticContact CZ3-CE2 3.64Å; W176-F221 HydrophobicContact CZ3-CE2 3.64Å; W176-F221 AromaticContact CZ3-CZ 3.72Å; W176-F221 HydrophobicContact CZ3-CZ 3.72Å; W176-L243 HydrophobicContact CZ3-CD1 4.49Å; W176-L243 HydrophobicContact CZ3-CD2 4.34Å; W176-Y248 AromaticContact CH2-CD1 3.87Å; W176-Y248 HydrophobicContact CH2-CD1 3.87Å; W176-Y248 HydrophobicContact CH2-CD2 4.36Å; W176-Y248 AromaticContact CH2-CG 3.72Å; W176-Y248 HydrophobicContact CH2-CG 3.72Å; W176-Y248 HydrophobicContact CZ3-CD2 4.31Å; W176-Y248 HydrophobicContact CZ3-CG 4.03Å; W176-V251 HydrophobicContact CB-CG1 4.06Å; W176-V251 HydrophobicContact CD2-CB 4.47Å; W176-V251 HydrophobicContact CD2-CG1 3.45Å; W176-V251 VanDerWaalsContact CD2-CG1 3.45Å; W176-V251 HydrophobicContact CD2-CG2 4.39Å; W176-V251 HydrophobicContact CE3-CB 3.95Å; W176-V251 HydrophobicContact CE3-CG1 3.1Å; W176-V251 HydrophobicContact CE3-CG2 3.58Å; W176-V251 HydrophobicContact CG-CG1 3.91Å; W176-V251 HydrophobicContact CH2-CG2 3.68Å; W176-V251 HydrophobicContact CZ2-CG2 4.46Å; W176-V251 HydrophobicContact CZ3-CB 4.07Å; W176-V251 HydrophobicContact CZ3-CG1 3.73Å; W176-V251 HydrophobicContact CZ3-CG2 3.18Å; W176-K252 PolarHBondContact N-O 3.26Å; W176-F253 CarbonylContact O-C 3.58Å; W176-F253 WeakPolarHBondContact O-CA 3.46Å; W176-V254 PolarHBondContact O-N 3.37Å
177A90.8Very high83.2Confident5 Ų554.9 Ų54.94%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-71.9122.2173.800000109.2L212 F213 K432 V435A177-L212 WeakPolarHBondContact O-CA 3.38Å; A177-F213 HydrophobicContact CB-CB 4.46Å; A177-F213 PolarHBondContact N-O 3.36Å; A177-F213 PolarHBondContact O-N 3.49Å; A177-F213 VanDerWaalsContact O-N 3.12Å; A177-K432 HydrophobicContact CB-CB 4.13Å; A177-K432 HydrophobicContact CB-CG 4.05Å; A177-V435 HydrophobicContact CB-CG2 3.42Å; A177-V435 VanDerWaalsContact CB-CG2 3.42Å
178Y92.4Very high83.5Confident1 Ų164 Ų640%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-115.3115177.7-179.5-125.8000109.8W176 L210 L212 T235 V236 L239 V254 M255 F259W176-Y178 PolarHBondContact O-N 2.97Å; Y178-L210 HydrophobicContact CE1-CD2 4.17Å; Y178-L210 HydrophobicContact CE2-CB 3.74Å; Y178-L210 HydrophobicContact CE2-CD2 3.71Å; Y178-L210 HydrophobicContact CE2-CG 4.34Å; Y178-L210 WeakPolarHBondContact OH-CD2 3.42Å; Y178-L212 HydrophobicContact CD2-CD2 3.47Å; Y178-L212 VanDerWaalsContact CD2-CD2 3.47Å; Y178-L212 HydrophobicContact CD2-CG 4.13Å; Y178-L212 HydrophobicContact CE2-CD2 4.43Å; Y178-L212 HydrophobicContact CG-CD2 3.9Å; Y178-T235 WeakPolarHBondContact CE1-OG1 3.45Å; Y178-T235 VanDerWaalsContact OH-CB 3.31Å; Y178-T235 WeakPolarHBondContact OH-CB 3.38Å; Y178-T235 PolarHBondContact OH-OG1 3.1Å; Y178-V236 HydrophobicContact CE1-CG2 4.4Å; Y178-L239 HydrophobicContact CD1-CD2 3.91Å; Y178-L239 HydrophobicContact CD2-CD2 3.82Å; Y178-L239 HydrophobicContact CE1-CD2 3.75Å; Y178-L239 HydrophobicContact CE2-CD1 3.97Å; Y178-L239 HydrophobicContact CE2-CD2 3.64Å; Y178-L239 HydrophobicContact CE2-CG 4.33Å; Y178-L239 HydrophobicContact CG-CD2 3.91Å; Y178-V254 PolarHBondContact N-O 3.14Å; Y178-M255 HydrophobicContact CD1-CG 4.01Å; Y178-M255 HydrophobicContact CD1-SD 3.8Å; Y178-F259 AromaticContact CD1-CD1 3.93Å; Y178-F259 HydrophobicContact CD1-CD1 3.93Å; Y178-F259 AromaticContact CD1-CE1 3.76Å; Y178-F259 HydrophobicContact CD1-CE1 3.76Å; Y178-F259 HydrophobicContact CD1-CG 4.44Å; Y178-F259 HydrophobicContact CD1-CZ 4.14Å; Y178-F259 AromaticContact CE1-CD1 3.63Å; Y178-F259 HydrophobicContact CE1-CD1 3.63Å; Y178-F259 AromaticContact CE1-CE1 3.35Å; Y178-F259 HydrophobicContact CE1-CE1 3.35Å; Y178-F259 HydrophobicContact CE1-CZ 4.1Å
179D92.7Very high84Confident6 Ų659.1 Ų59.13%0.03227%0.272CS..EExtended strand (participates in β ladder)trans-145.3167179-156.9-1.6000111K199 L210 L211 K432 V435 F439D179-K199 IonicContact OD1-NZ 2.78Å; D179-K199 PolarHBondContact OD1-NZ 2.59Å; D179-L210 VanDerWaalsContact O-CA 3.25Å; D179-L210 WeakPolarHBondContact O-CA 3.41Å; D179-L211 PolarHBondContact N-O 3.48Å; D179-L211 PolarHBondContact O-N 3.18Å; D179-K432 WeakPolarHBondContact OD2-CE 3.45Å; D179-K432 IonicContact OD2-NZ 3.27Å; D179-K432 PolarHBondContact OD2-NZ 2.97Å; D179-V435 HydrophobicContact CB-CG1 3.83Å; D179-F439 HydrophobicContact CB-CE2 3.9Å; D179-F439 HydrophobicContact CB-CZ 4.24Å
180S93.4Very high84.6Confident3 Ų353 Ų532%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-123.4158.2179.168.10000112K199 L209 D232 F439S180-K199 WeakPolarHBondContact O-CD 3.33Å; S180-K199 WeakPolarHBondContact O-CE 3.47Å; S180-K199 PolarHBondContact O-NZ 3.41Å; S180-K199 WeakPolarHBondContact OG-CE 3.14Å; S180-K199 PolarHBondContact OG-NZ 3.5Å; S180-L209 CarbonylContact C-O 3.57Å; S180-L209 VanDerWaalsContact CA-O 3.24Å; S180-L209 WeakPolarHBondContact CA-O 3.33Å; S180-D232 WeakPolarHBondContact CB-OD1 3.4Å; S180-D232 PolarHBondContact OG-OD1 2.89Å; S180-D232 PolarHBondContact OG-OD2 3.18Å; S180-F439 VanDerWaalsContact C-CZ 3.41Å; S180-F439 WeakPolarHBondContact O-CE2 3.28Å
181T94.2Very high85.5Confident10 Ų1060 Ų606%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-136.9158.2166-161.50000109.8I183 N208 L209 F439 K443T181-I183 HydrophobicContact CG2-CG1 4.45Å; T181-N208 CarbonylContact O-C 3.56Å; T181-N208 WeakPolarHBondContact O-CA 3.35Å; T181-L209 HydrophobicContact CG2-CB 4.18Å; T181-L209 PolarHBondContact N-O 3.03Å; T181-L209 PolarHBondContact O-N 2.96Å; T181-F439 HydrophobicContact CG2-CB 4.49Å; T181-F439 HydrophobicContact CG2-CD1 3.32Å; T181-F439 HydrophobicContact CG2-CE1 3.51Å; T181-F439 HydrophobicContact CG2-CG 3.95Å; T181-F439 HydrophobicContact CG2-CZ 4.28Å; T181-K443 WeakPolarHBondContact OG1-CE 3.28Å; T181-K443 PolarHBondContact OG1-NZ 3.43Å
182S94.3Very high86.9Confident2 Ų256.6 Ų56.61%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-95.6132.2173.6-54.10000109.3K199 Q206 K443S182-K199 PolarHBondContact OG-N 2.76Å; S182-K199 VanDerWaalsContact OG-N 3.1Å; S182-Q206 PolarHBondContact OG-NE2 3.18Å; S182-K443 WeakPolarHBondContact O-CE 3.3Å; S182-K443 PolarHBondContact O-NZ 3.14Å
183I93.7Very high88.5Confident5 Ų549.4 Ų49.43%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-115.8105.7169.3-61.4168000106.9T181 Q206 I207 L209 C448 L451 L463T181-I183 HydrophobicContact CG2-CG1 4.45Å; I183-Q206 CarbonylContact O-C 3.57Å; I183-Q206 VanDerWaalsContact O-CA 3.26Å; I183-Q206 WeakPolarHBondContact O-CA 3.15Å; I183-Q206 WeakPolarHBondContact O-CB 3.43Å; I183-I207 HydrophobicContact CB-CD1 4.34Å; I183-I207 HydrophobicContact CB-CG1 3.83Å; I183-I207 HydrophobicContact CD1-CD1 4.34Å; I183-I207 HydrophobicContact CG2-CG1 4.46Å; I183-I207 PolarHBondContact N-O 3.41Å; I183-I207 PolarHBondContact O-N 3.47Å; I183-L209 HydrophobicContact CD1-CB 3.94Å; I183-L209 HydrophobicContact CD1-CD2 3.81Å; I183-L209 HydrophobicContact CD1-CG 4.5Å; I183-C448 VanDerWaalsContact CG2-O 3.3Å; I183-C448 WeakPolarHBondContact CG2-O 3.41Å; I183-L451 HydrophobicContact CD1-CD1 4.38Å; I183-L451 HydrophobicContact CG2-CD1 4.03Å; I183-L451 HydrophobicContact CG2-CG 4.2Å; I183-L463 HydrophobicContact CD1-CD2 4.24Å
184S93.3Very high89.7Confident1 Ų144.2 Ų44.21%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-74.2156.9179.8-16.60000110.8N198 D202 P205 R450S184-N198 PolarHBondContact OG-ND2 2.99Å; S184-N198 VanDerWaalsContact OG-ND2 3.09Å; S184-D202 WeakPolarHBondContact OG-CB 3.32Å; S184-D202 PolarHBondContact OG-OD2 2.92Å; S184-P205 CarbonylContact C-O 3.49Å; S184-P205 WeakPolarHBondContact CA-O 3.2Å; S184-R450 WeakPolarHBondContact O-CD 3.15Å; S184-R450 PolarHBondContact OG-NH1 3.21Å
185S90.9Very high90.4Very high16 Ų1651.2 Ų51.211%0.11224%0.239CC..  trans-148.2151.6-178.4179.70000110.4S187 P205S185-S187 WeakPolarHBondContact OG-CB 3.33Å; S185-S187 PolarHBondContact OG-N 2.85Å; S185-S187 VanDerWaalsContact OG-N 3.15Å; S185-P205 PolarHBondContact N-O 3.38Å; S185-P205 WeakPolarHBondContact O-CG 3.35Å
186Y87.9Confident90.8Very high156 Ų15652.5 Ų52.561%0.61226%0.255SS*.  trans-93.5-3.7172.1-58.4-66.9000112.6E188 L204 R450Y186-E188 PolarHBondContact O-N 2.87Å; Y186-L204 HydrophobicContact CD1-CD1 4.13Å; Y186-L204 HydrophobicContact CD1-CD2 3.9Å; Y186-L204 HydrophobicContact CE1-CD1 3.44Å; Y186-L204 VanDerWaalsContact CE1-CD1 3.44Å; Y186-L204 HydrophobicContact CE1-CD2 3.75Å; Y186-L204 HydrophobicContact CE1-CG 4.26Å; Y186-R450 HydrophobicContact CE2-CG 4.29Å
187S84.9Confident90.9Very high26 Ų2661.3 Ų61.318%0.18229%0.294CS..  trans-69.4130.6-176.3175.20000111.4S185 T189 L190S185-S187 WeakPolarHBondContact OG-CB 3.33Å; S185-S187 PolarHBondContact OG-N 2.85Å; S185-S187 VanDerWaalsContact OG-N 3.15Å; S187-T189 PolarHBondContact OG-N 3.07Å; S187-T189 PolarHBondContact OG-OG1 3.2Å; S187-T189 VanDerWaalsContact OG-OG1 3.09Å; S187-L190 VanDerWaalsContact OG-CG 3.32Å; S187-L190 WeakPolarHBondContact OG-CG 3.33Å; S187-L190 PolarHBondContact OG-N 2.8Å
188E83.7Confident90.9Very high196 Ų19661.8 Ų61.892%0.91630%0.296SS*.SBendtrans-93.3-10.7171.9-59.7-177.6170.700112.5Y186Y186-E188 PolarHBondContact O-N 2.87Å
189T86.8Confident90.7Very high104 Ų10466 Ų6664%0.63831%0.314SS*.SBendtrans-94.6-21.7-173.7580000113.5S187 K191S187-T189 PolarHBondContact OG-N 3.07Å; S187-T189 PolarHBondContact OG-OG1 3.2Å; S187-T189 VanDerWaalsContact OG-OG1 3.09Å; T189-K191 PolarHBondContact O-N 3.43Å
190L90Very high90.4Very high8 Ų869.4 Ų69.44%0.04233%0.33CS..  trans-80.5115.5-178-66.5173.5000110.9S187 Q192 V193 E456 L459S187-L190 VanDerWaalsContact OG-CG 3.32Å; S187-L190 WeakPolarHBondContact OG-CG 3.33Å; S187-L190 PolarHBondContact OG-N 2.8Å; L190-Q192 VanDerWaalsContact C-N 3.26Å; L190-Q192 PolarHBondContact O-N 2.75Å; L190-V193 HydrophobicContact CB-CB 3.96Å; L190-V193 HydrophobicContact CB-CG2 3.55Å; L190-V193 HydrophobicContact CD1-CG2 3.83Å; L190-V193 HydrophobicContact CG-CG2 4.36Å; L190-V193 PolarHBondContact O-N 2.95Å; L190-E456 HydrophobicContact CD2-CB 4.5Å; L190-E456 HydrophobicContact CD2-CG 3.94Å; L190-L459 HydrophobicContact CD1-CD1 4.25Å; L190-L459 HydrophobicContact CD1-CD2 4.12Å; L190-L459 HydrophobicContact CD2-CD2 4.45Å
191K90.2Very high90.1Very high173 Ų17374.4 Ų74.475%0.75237%0.365SS*.THydrogen-bonded Turntrans-64.4-27.8-174-65.3178.7-178.6174.20113.4T189 K194 E456T189-K191 PolarHBondContact O-N 3.43Å; K191-K194 WeakPolarHBondContact O-CE 3.26Å; K191-E456 PolarHBondContact N-OE1 3.12Å
192Q90.4Very high89.7Confident68 Ų6876.6 Ų76.632%0.31838%0.376SS..THydrogen-bonded Turntrans-91.7-10.3-179.6-64-171.4-14.200113.6L190 K194 I207 S227 G228 E456L190-Q192 VanDerWaalsContact C-N 3.26Å; L190-Q192 PolarHBondContact O-N 2.75Å; Q192-K194 PolarHBondContact O-N 2.91Å; Q192-I207 HydrophobicContact CB-CG2 4.49Å; Q192-S227 VanDerWaalsContact O-CA 3.26Å; Q192-S227 WeakPolarHBondContact O-CA 3.5Å; Q192-S227 PolarHBondContact O-OG 3.15Å; Q192-G228 PolarHBondContact O-N 2.8Å; Q192-G228 VanDerWaalsContact O-N 3.17Å; Q192-E456 PolarHBondContact N-OE1 2.97Å
193V91.9Very high89.5Confident15 Ų1587.6 Ų87.69%0.09142%0.417CS..  trans-76.7101.9172.7170.60000107.7L190 P205 Q206 I207L190-V193 HydrophobicContact CB-CB 3.96Å; L190-V193 HydrophobicContact CB-CG2 3.55Å; L190-V193 HydrophobicContact CD1-CG2 3.83Å; L190-V193 HydrophobicContact CG-CG2 4.36Å; L190-V193 PolarHBondContact O-N 2.95Å; V193-P205 HydrophobicContact CG1-CB 3.65Å; V193-P205 HydrophobicContact CG1-CG 3.79Å; V193-Q206 WeakPolarHBondContact CA-O 3.36Å; V193-I207 HydrophobicContact CG2-CG2 3.86Å
194K93.3Very high89.5Confident96 Ų9689.2 Ų89.242%0.41743%0.426SS..BIsolated β-bridgetrans-137155.1-175.4-62-164.8-175.9-174.10111.3K191 Q192 Q206 S227 N229K191-K194 WeakPolarHBondContact O-CE 3.26Å; Q192-K194 PolarHBondContact O-N 2.91Å; K194-Q206 PolarHBondContact N-O 3.41Å; K194-Q206 PolarHBondContact O-N 2.84Å; K194-S227 WeakPolarHBondContact CD-OG 3.27Å; K194-N229 HydrophobicContact CB-CB 4.19Å
195Y93.4Very high89.5Confident162 Ų16290.1 Ų90.164%0.63543%0.431SS*.  trans-62.4138.7171.6-72.2-80.8000111.2P205 N229Y195-P205 HydrophobicContact CD2-CB 4.34Å; Y195-P205 HydrophobicContact CE2-CB 4.31Å; Y195-N229 WeakPolarHBondContact O-CA 3.48Å; Y195-N229 WeakPolarHBondContact O-CB 3.36Å
196G91.2Very high89.7Confident39 Ų3989.4 Ų89.440%0.40243%0.426SS..  trans-159.6-170.6179.200000110.8N198 G228G196-N198 PolarHBondContact O-N 2.98Å; G196-G228 WeakPolarHBondContact CA-O 3.32Å
197K89Confident90Very high196 Ų19682.1 Ų82.185%0.85240%0.398SS*.  trans-79.498.1173.3-172.4-179.7179.8-175.70108.7Q206K197-Q206 PolarHBondContact O-NE2 2.8Å
198N91.3Very high90.5Very high15 Ų1581.3 Ų81.38%0.0839%0.392CS..  trans-70.7130.9178-163-67.9000111S184 G196 E200 S201 D202 Q206S184-N198 PolarHBondContact OG-ND2 2.99Å; S184-N198 VanDerWaalsContact OG-ND2 3.09Å; G196-N198 PolarHBondContact O-N 2.98Å; N198-E200 VanDerWaalsContact C-N 3.28Å; N198-E200 PolarHBondContact O-N 3.19Å; N198-E200 WeakPolarHBondContact OD1-CA 3.32Å; N198-E200 PolarHBondContact OD1-N 3.12Å; N198-S201 PolarHBondContact O-N 2.6Å; N198-D202 HydrophobicContact CB-CB 4.39Å; N198-D202 WeakPolarHBondContact CB-O 3.3Å; N198-D202 WeakPolarHBondContact ND2-CB 3.36Å; N198-Q206 VanDerWaalsContact CG-OE1 3.31Å; N198-Q206 PolarHBondContact ND2-OE1 3.24Å
199K87.8Confident91Very high88 Ų8872.2 Ų72.238%0.38335%0.349SS..THydrogen-bonded Turntrans-70.9-19179.6-65-156.8-179.4-170.70114.3D179 S180 S182 D232D179-K199 IonicContact OD1-NZ 2.78Å; D179-K199 PolarHBondContact OD1-NZ 2.59Å; S180-K199 WeakPolarHBondContact O-CD 3.33Å; S180-K199 WeakPolarHBondContact O-CE 3.47Å; S180-K199 PolarHBondContact O-NZ 3.41Å; S180-K199 WeakPolarHBondContact OG-CE 3.14Å; S180-K199 PolarHBondContact OG-NZ 3.5Å; S182-K199 PolarHBondContact OG-N 2.76Å; S182-K199 VanDerWaalsContact OG-N 3.1Å; K199-D232 IonicContact NZ-OD2 3.64Å
200E86.6Confident91.4Very high79 Ų7967.3 Ų67.337%0.36932%0.319SS..THydrogen-bonded Turntrans-107.113.5177.3-66179.616100112.3N198 D202 K443 R449N198-E200 VanDerWaalsContact C-N 3.28Å; N198-E200 PolarHBondContact O-N 3.19Å; N198-E200 WeakPolarHBondContact OD1-CA 3.32Å; N198-E200 PolarHBondContact OD1-N 3.12Å; E200-D202 PolarHBondContact O-N 3.16Å; E200-D202 VanDerWaalsContact O-N 3.12Å; E200-K443 VanDerWaalsContact OE1-CD 3.26Å; E200-K443 WeakPolarHBondContact OE1-CD 3.39Å; E200-K443 IonicContact OE1-NZ 3.14Å; E200-K443 PolarHBondContact OE1-NZ 2.88Å; E200-K443 IonicContact OE2-NZ 2.98Å; E200-K443 PolarHBondContact OE2-NZ 2.83Å; E200-R449 IonicContact OE1-NH1 2.77Å; E200-R449 IonicContact OE1-NH2 2.86Å; E200-R449 IonicContact OE2-NH1 3.17Å; E200-R449 PolarHBondContact OE2-NH1 2.77Å; E200-R449 VanDerWaalsContact OE2-NH1 3.16Å
201S87.3Confident91.5Very high108 Ų10867 Ų6776%0.75532%0.318SS*.  trans59.517.7-177.9-55.30000115.4N198 R203N198-S201 PolarHBondContact O-N 2.6Å; S201-R203 PolarHBondContact O-N 3.36Å
202D86.8Confident91.6Very high55 Ų5558.9 Ų58.929%0.29428%0.282SS..  trans-62.9130.5172.9-112.90.5000110.8S184 N198 E200 L204 R450S184-D202 WeakPolarHBondContact OG-CB 3.32Å; S184-D202 PolarHBondContact OG-OD2 2.92Å; N198-D202 HydrophobicContact CB-CB 4.39Å; N198-D202 WeakPolarHBondContact CB-O 3.3Å; N198-D202 WeakPolarHBondContact ND2-CB 3.36Å; E200-D202 PolarHBondContact O-N 3.16Å; E200-D202 VanDerWaalsContact O-N 3.12Å; D202-L204 PolarHBondContact O-N 3.16Å; D202-R450 IonicContact OD1-NH2 2.93Å; D202-R450 IonicContact OD2-CZ 3.51Å; D202-R450 IonicContact OD2-NH1 2.65Å; D202-R450 PolarHBondContact OD2-NH1 3.16Å; D202-R450 IonicContact OD2-NH2 2.67Å; D202-R450 PolarHBondContact OD2-NH2 3.03Å
203R90.1Very high91.5Very high234 Ų23455.7 Ų55.788%0.88327%0.268SS*.  trans-90.643.3-179.8-62.2-174-176.8177.82.9112.6S201S201-R203 PolarHBondContact O-N 3.36Å
204L92.4Very high91.3Very high39 Ų3955 Ų5520%0.20426%0.263CS..SBendtrans-125.4154.7-176.8-71170.1000110.2Y186 D202Y186-L204 HydrophobicContact CD1-CD1 4.13Å; Y186-L204 HydrophobicContact CD1-CD2 3.9Å; Y186-L204 HydrophobicContact CE1-CD1 3.44Å; Y186-L204 VanDerWaalsContact CE1-CD1 3.44Å; Y186-L204 HydrophobicContact CE1-CD2 3.75Å; Y186-L204 HydrophobicContact CE1-CG 4.26Å; D202-L204 PolarHBondContact O-N 3.16Å
205P92.9Very high90.7Very high19 Ų1952.6 Ų52.612%0.12325%0.253CS..  trans-64.7152.7170.832-35.1000109.6S184 S185 V193 Y195S184-P205 CarbonylContact C-O 3.49Å; S184-P205 WeakPolarHBondContact CA-O 3.2Å; S185-P205 PolarHBondContact N-O 3.38Å; S185-P205 WeakPolarHBondContact O-CG 3.35Å; V193-P205 HydrophobicContact CG1-CB 3.65Å; V193-P205 HydrophobicContact CG1-CG 3.79Å; Y195-P205 HydrophobicContact CD2-CB 4.34Å; Y195-P205 HydrophobicContact CE2-CB 4.31Å
206Q94.8Very high90.2Very high1 Ų151.6 Ų51.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-143.1165.3-168.972.8-165.746.800112.1S182 I183 V193 K194 K197 N198 N208 G228S182-Q206 PolarHBondContact OG-NE2 3.18Å; I183-Q206 CarbonylContact O-C 3.57Å; I183-Q206 VanDerWaalsContact O-CA 3.26Å; I183-Q206 WeakPolarHBondContact O-CA 3.15Å; I183-Q206 WeakPolarHBondContact O-CB 3.43Å; V193-Q206 WeakPolarHBondContact CA-O 3.36Å; K194-Q206 PolarHBondContact N-O 3.41Å; K194-Q206 PolarHBondContact O-N 2.84Å; K197-Q206 PolarHBondContact O-NE2 2.8Å; N198-Q206 VanDerWaalsContact CG-OE1 3.31Å; N198-Q206 PolarHBondContact ND2-OE1 3.24Å; Q206-N208 PolarHBondContact NE2-OD1 3.36Å; Q206-G228 WeakPolarHBondContact O-CA 3.33Å; Q206-G228 PolarHBondContact O-N 3.1Å
207I95.1Very high89.8Confident3 Ų350.7 Ų50.72%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-104156.1152.861.3170.9000108.7I183 Q192 V193 K225 L451 L463I183-I207 HydrophobicContact CB-CD1 4.34Å; I183-I207 HydrophobicContact CB-CG1 3.83Å; I183-I207 HydrophobicContact CD1-CD1 4.34Å; I183-I207 HydrophobicContact CG2-CG1 4.46Å; I183-I207 PolarHBondContact N-O 3.41Å; I183-I207 PolarHBondContact O-N 3.47Å; Q192-I207 HydrophobicContact CB-CG2 4.49Å; V193-I207 HydrophobicContact CG2-CG2 3.86Å; I207-K225 HydrophobicContact CB-CG 4.43Å; I207-K225 HydrophobicContact CD1-CD 4.15Å; I207-K225 HydrophobicContact CD1-CG 4.1Å; I207-L451 HydrophobicContact CD1-CD1 3.67Å; I207-L463 HydrophobicContact CD1-CD1 3.88Å; I207-L463 HydrophobicContact CD1-CD2 4.5Å
208N95Very high89.6Confident9 Ų941.6 Ų41.65%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-102.3121.4168.8-64-20.9000107.9T181 Q206 L226 G228 I230T181-N208 CarbonylContact O-C 3.56Å; T181-N208 WeakPolarHBondContact O-CA 3.35Å; Q206-N208 PolarHBondContact NE2-OD1 3.36Å; N208-L226 HydrophobicContact CB-CB 4.16Å; N208-L226 PolarHBondContact N-O 2.86Å; N208-L226 PolarHBondContact O-N 2.69Å; N208-G228 PolarHBondContact ND2-O 3.32Å; N208-I230 PolarHBondContact ND2-O 3.25Å
209L95.2Very high89.5Confident5 Ų541.6 Ų41.63%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-103.5124.2175.7178.266.5000108.7S180 T181 I183 L211 Y223 L442 L463S180-L209 CarbonylContact C-O 3.57Å; S180-L209 VanDerWaalsContact CA-O 3.24Å; S180-L209 WeakPolarHBondContact CA-O 3.33Å; T181-L209 HydrophobicContact CG2-CB 4.18Å; T181-L209 PolarHBondContact N-O 3.03Å; T181-L209 PolarHBondContact O-N 2.96Å; I183-L209 HydrophobicContact CD1-CB 3.94Å; I183-L209 HydrophobicContact CD1-CD2 3.81Å; I183-L209 HydrophobicContact CD1-CG 4.5Å; L209-L211 HydrophobicContact CD2-CD2 4.49Å; L209-L211 HydrophobicContact CG-CD2 4.43Å; L209-Y223 HydrophobicContact CD1-CD2 3.75Å; L209-Y223 HydrophobicContact CD1-CG 4.41Å; L209-L442 HydrophobicContact CD2-CD1 3.84Å; L209-L463 HydrophobicContact CD1-CD2 4.36Å; L209-L463 HydrophobicContact CD2-CD2 4.32Å
210L94.6Very high89.6Confident2 Ų237.4 Ų37.41%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-108.6141.8176-58.393.5000109.7Y178 D179 Y223 R224 L226 T235 F259Y178-L210 HydrophobicContact CE1-CD2 4.17Å; Y178-L210 HydrophobicContact CE2-CB 3.74Å; Y178-L210 HydrophobicContact CE2-CD2 3.71Å; Y178-L210 HydrophobicContact CE2-CG 4.34Å; Y178-L210 WeakPolarHBondContact OH-CD2 3.42Å; D179-L210 VanDerWaalsContact O-CA 3.25Å; D179-L210 WeakPolarHBondContact O-CA 3.41Å; L210-Y223 CarbonylContact O-C 3.58Å; L210-Y223 WeakPolarHBondContact O-CA 3.49Å; L210-R224 HydrophobicContact CB-CB 4.37Å; L210-R224 PolarHBondContact N-O 2.97Å; L210-R224 PolarHBondContact O-N 2.69Å; L210-L226 HydrophobicContact CD1-CB 4.16Å; L210-L226 HydrophobicContact CD1-CD1 3.25Å; L210-L226 HydrophobicContact CD1-CG 3.45Å; L210-L226 VanDerWaalsContact CD1-CG 3.45Å; L210-L226 HydrophobicContact CD2-CD1 4.39Å; L210-L226 HydrophobicContact CG-CD1 4.48Å; L210-T235 HydrophobicContact CD2-CG2 4.1Å; L210-F259 HydrophobicContact CD2-CE1 4Å; L210-F259 HydrophobicContact CD2-CZ 4.3Å
211L93.1Very high89.7Confident1 Ų133.7 Ų33.71%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-125.7149.1178.9-62.3176.1000110.5D179 L209 F213 Y223 F439 L442 F467 L470D179-L211 PolarHBondContact N-O 3.48Å; D179-L211 PolarHBondContact O-N 3.18Å; L209-L211 HydrophobicContact CD2-CD2 4.49Å; L209-L211 HydrophobicContact CG-CD2 4.43Å; L211-F213 HydrophobicContact CB-CD2 3.91Å; L211-F213 HydrophobicContact CB-CE2 3.43Å; L211-F213 VanDerWaalsContact CB-CE2 3.43Å; L211-F213 HydrophobicContact CB-CZ 4.49Å; L211-F213 HydrophobicContact CD1-CE2 3.54Å; L211-F213 HydrophobicContact CD1-CZ 3.95Å; L211-F213 HydrophobicContact CG-CE2 4.06Å; L211-Y223 VanDerWaalsContact CD2-CB 3.46Å; L211-F439 HydrophobicContact CB-CE1 4.22Å; L211-F439 HydrophobicContact CB-CZ 4.38Å; L211-F439 HydrophobicContact CD1-CD1 3.61Å; L211-F439 HydrophobicContact CD1-CE1 3.3Å; L211-F439 HydrophobicContact CD1-CZ 4.15Å; L211-F439 HydrophobicContact CG-CD1 4.39Å; L211-F439 HydrophobicContact CG-CE1 3.61Å; L211-F439 HydrophobicContact CG-CZ 4.26Å; L211-L442 HydrophobicContact CD1-CD1 3.75Å; L211-F467 HydrophobicContact CD2-CD2 4.11Å; L211-F467 HydrophobicContact CD2-CE2 4.4Å; L211-L470 HydrophobicContact CD1-CD2 3.82Å
212L90.6Very high89.8Confident2 Ų229.5 Ų29.51%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-115.5125.7166.2-70.8177.6000110.3W176 A177 Y178 P220 F221 Y222 L239 L243 F253W176-L212 HydrophobicContact CE3-CD1 4.37Å; A177-L212 WeakPolarHBondContact O-CA 3.38Å; Y178-L212 HydrophobicContact CD2-CD2 3.47Å; Y178-L212 VanDerWaalsContact CD2-CD2 3.47Å; Y178-L212 HydrophobicContact CD2-CG 4.13Å; Y178-L212 HydrophobicContact CE2-CD2 4.43Å; Y178-L212 HydrophobicContact CG-CD2 3.9Å; L212-P220 WeakPolarHBondContact O-CA 3.35Å; L212-F221 HydrophobicContact CB-CD2 4.47Å; L212-F221 HydrophobicContact CB-CE1 3.86Å; L212-F221 HydrophobicContact CB-CE2 3.75Å; L212-F221 HydrophobicContact CB-CZ 3.38Å; L212-F221 HydrophobicContact CD1-CE2 3.81Å; L212-F221 HydrophobicContact CD1-CZ 3.95Å; L212-F221 HydrophobicContact CG-CE2 4.46Å; L212-F221 HydrophobicContact CG-CZ 4.25Å; L212-F221 PolarHBondContact O-N 3.44Å; L212-Y222 HydrophobicContact CD1-CD1 4.04Å; L212-Y222 PolarHBondContact N-O 2.87Å; L212-L239 HydrophobicContact CD1-CD1 4.13Å; L212-L239 HydrophobicContact CD2-CD2 4.41Å; L212-L243 HydrophobicContact CD1-CD1 4.06Å; L212-L243 HydrophobicContact CD1-CD2 3.6Å; L212-L243 HydrophobicContact CD1-CG 4.38Å; L212-F253 HydrophobicContact CD2-CE1 4.35Å
213F88.6Confident90.2Very high2 Ų228.1 Ų28.11%0.00913%0.125CC..EExtended strand (participates in β ladder)trans-119.7141.5177-75.4-103.2000110.8W176 A177 L211 L219 P220 I434 V435 A438 L470W176-F213 CarbonylContact C-O 3.57Å; W176-F213 WeakPolarHBondContact CA-O 3.34Å; A177-F213 HydrophobicContact CB-CB 4.46Å; A177-F213 PolarHBondContact N-O 3.36Å; A177-F213 PolarHBondContact O-N 3.49Å; A177-F213 VanDerWaalsContact O-N 3.12Å; L211-F213 HydrophobicContact CB-CD2 3.91Å; L211-F213 HydrophobicContact CB-CE2 3.43Å; L211-F213 VanDerWaalsContact CB-CE2 3.43Å; L211-F213 HydrophobicContact CB-CZ 4.49Å; L211-F213 HydrophobicContact CD1-CE2 3.54Å; L211-F213 HydrophobicContact CD1-CZ 3.95Å; L211-F213 HydrophobicContact CG-CE2 4.06Å; F213-L219 WeakPolarHBondContact CA-O 3.43Å; F213-P220 HydrophobicContact CD1-CB 3.93Å; F213-P220 HydrophobicContact CD1-CG 4.2Å; F213-P220 HydrophobicContact CD2-CB 4.38Å; F213-P220 HydrophobicContact CE1-CB 3.48Å; F213-P220 VanDerWaalsContact CE1-CB 3.48Å; F213-P220 VanDerWaalsContact CE1-CD 3.41Å; F213-P220 HydrophobicContact CE1-CG 3.46Å; F213-P220 VanDerWaalsContact CE1-CG 3.46Å; F213-P220 HydrophobicContact CE2-CB 4Å; F213-P220 HydrophobicContact CG-CB 4.33Å; F213-P220 HydrophobicContact CZ-CB 3.48Å; F213-P220 VanDerWaalsContact CZ-CB 3.48Å; F213-P220 HydrophobicContact CZ-CG 3.74Å; F213-I434 HydrophobicContact CD1-CG2 4.13Å; F213-V435 HydrophobicContact CB-CG2 3.81Å; F213-V435 HydrophobicContact CD2-CB 4.01Å; F213-V435 HydrophobicContact CD2-CG1 3.76Å; F213-V435 HydrophobicContact CD2-CG2 3.46Å; F213-V435 VanDerWaalsContact CD2-CG2 3.46Å; F213-V435 HydrophobicContact CE2-CB 4.26Å; F213-V435 HydrophobicContact CE2-CG1 3.77Å; F213-V435 HydrophobicContact CE2-CG2 4.21Å; F213-V435 HydrophobicContact CG-CG2 3.77Å; F213-A438 HydrophobicContact CE1-CB 3.54Å; F213-A438 HydrophobicContact CE2-CB 3.97Å; F213-A438 HydrophobicContact CZ-CB 3.12Å; F213-L470 HydrophobicContact CZ-CD2 3.95Å
214G87.3Confident90.3Very high0 Ų018.5 Ų18.50%09%0.088CC..EExtended strand (participates in β ladder)trans-76.5128165.300000110.3E174 K216 S217 G218 L219E174-G214 WeakPolarHBondContact OE1-CA 3.27Å; E174-G214 WeakPolarHBondContact OE2-CA 3.41Å; G214-K216 PolarHBondContact O-N 3.18Å; G214-S217 WeakPolarHBondContact CA-OG 3.36Å; G214-G218 VanDerWaalsContact O-CA 3.28Å; G214-G218 WeakPolarHBondContact O-CA 3.33Å; G214-G218 PolarHBondContact O-N 3.3Å; G214-L219 PolarHBondContact N-O 3.2Å
215E82.1Confident90.4Very high45 Ų4518 Ų1821%0.219%0.085CC..THydrogen-bonded Turntrans-58.6-45.8178.4177.9-153.9-161.200111.4E174 Y175 T428E174-E215 PolarHBondContact OE2-N 3.28Å; Y175-E215 WeakPolarHBondContact O-CB 3.33Å; Y175-E215 PolarHBondContact O-N 3.17Å; E215-T428 VanDerWaalsContact OE1-CA 3.27Å; E215-T428 WeakPolarHBondContact OE1-CA 3.21Å; E215-T428 WeakPolarHBondContact OE1-CB 3.38Å; E215-T428 WeakPolarHBondContact OE1-CG2 3.45Å; E215-T428 PolarHBondContact OE1-OG1 3.39Å
216K81.2Confident90.5Very high142 Ų14217.7 Ų17.762%0.6178%0.082SC*.THydrogen-bonded Turntrans-84.9-38.7-176.4-64.5-174.6177.8-1770111.5E174 G214 G218 R478E174-K216 HydrophobicContact CB-CB 4.25Å; E174-K216 HydrophobicContact CB-CD 4.34Å; E174-K216 HydrophobicContact CB-CG 4.2Å; E174-K216 WeakPolarHBondContact OE2-CB 3.29Å; E174-K216 PolarHBondContact OE2-N 2.89Å; G214-K216 PolarHBondContact O-N 3.18Å; K216-G218 VanDerWaalsContact C-N 3.27Å; K216-R478 PolarHBondContact O-NH1 3.33Å; K216-R478 PolarHBondContact O-NH2 2.95Å
217S83.1Confident90.5Very high20 Ų2018.3 Ų18.314%0.149%0.086CC..THydrogen-bonded Turntrans-69.8-28.817761.10000111.7E174 G214 L219 R478E174-S217 PolarHBondContact OE1-OG 3Å; E174-S217 PolarHBondContact OE2-N 3.11Å; E174-S217 PolarHBondContact OE2-OG 2.92Å; G214-S217 WeakPolarHBondContact CA-OG 3.36Å; S217-L219 WeakPolarHBondContact O-CG 3.47Å; S217-L219 PolarHBondContact O-N 3.24Å; S217-R478 VanDerWaalsContact CA-NH1 3.26Å; S217-R478 WeakPolarHBondContact O-CD 3.45Å; S217-R478 PolarHBondContact O-NH1 3.26Å
218G85Confident90.4Very high5 Ų518.2 Ų18.25%0.0529%0.086CC..  trans64.910.5-173.500000113.3G214 K216G214-G218 VanDerWaalsContact O-CA 3.28Å; G214-G218 WeakPolarHBondContact O-CA 3.33Å; G214-G218 PolarHBondContact O-N 3.3Å; K216-G218 VanDerWaalsContact C-N 3.27Å
219L89.3Confident90.4Very high15 Ų1521.9 Ų21.98%0.07911%0.105CC..  trans-108.4144.1-172.4-66.9176000110.5L92 R170 F213 G214 S217 I471 A474L92-L219 HydrophobicContact CD1-CD1 4.38Å; L92-L219 HydrophobicContact CD2-CD1 3.9Å; R170-L219 VanDerWaalsContact CZ-CB 3.41Å; R170-L219 PolarHBondContact NH1-O 2.95Å; F213-L219 WeakPolarHBondContact CA-O 3.43Å; G214-L219 PolarHBondContact N-O 3.2Å; S217-L219 WeakPolarHBondContact O-CG 3.47Å; S217-L219 PolarHBondContact O-N 3.24Å; L219-I471 HydrophobicContact CD2-CG2 4.42Å; L219-A474 HydrophobicContact CD2-CB 3.92Å
220P91.2Very high90.4Very high0 Ų024.4 Ų24.40%012%0.118CC..EExtended strand (participates in β ladder)trans-77.6141.2168.121-16.4000111R170 L212 F213 F467 L470 I471 A474R170-P220 PolarHBondContact NH1-O 2.88Å; R170-P220 PolarHBondContact NH2-O 3.03Å; L212-P220 WeakPolarHBondContact O-CA 3.35Å; F213-P220 HydrophobicContact CD1-CB 3.93Å; F213-P220 HydrophobicContact CD1-CG 4.2Å; F213-P220 HydrophobicContact CD2-CB 4.38Å; F213-P220 HydrophobicContact CE1-CB 3.48Å; F213-P220 VanDerWaalsContact CE1-CB 3.48Å; F213-P220 VanDerWaalsContact CE1-CD 3.41Å; F213-P220 HydrophobicContact CE1-CG 3.46Å; F213-P220 VanDerWaalsContact CE1-CG 3.46Å; F213-P220 HydrophobicContact CE2-CB 4Å; F213-P220 HydrophobicContact CG-CB 4.33Å; F213-P220 HydrophobicContact CZ-CB 3.48Å; F213-P220 VanDerWaalsContact CZ-CB 3.48Å; F213-P220 HydrophobicContact CZ-CG 3.74Å; P220-F467 HydrophobicContact CB-CE2 3.75Å; P220-F467 HydrophobicContact CB-CZ 4.32Å; P220-L470 HydrophobicContact CB-CD2 4.49Å; P220-L470 HydrophobicContact CG-CB 4.47Å; P220-L470 HydrophobicContact CG-CD2 4.09Å; P220-L470 HydrophobicContact CG-CG 4Å; P220-I471 HydrophobicContact CG-CG1 4Å; P220-A474 HydrophobicContact CG-CB 4.34Å
221F87.5Confident90.3Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-131.1-14.4177.858.1-88.2000114.4W176 L212 F467W176-F221 HydrophobicContact CB-CZ 4.24Å; W176-F221 AromaticContact CD2-CE1 3.92Å; W176-F221 HydrophobicContact CD2-CE1 3.92Å; W176-F221 HydrophobicContact CD2-CE2 4.05Å; W176-F221 AromaticContact CD2-CZ 3.24Å; W176-F221 HydrophobicContact CD2-CZ 3.24Å; W176-F221 AromaticContact CE2-CZ 3.68Å; W176-F221 HydrophobicContact CE3-CE1 4.34Å; W176-F221 AromaticContact CE3-CE2 3.67Å; W176-F221 HydrophobicContact CE3-CE2 3.67Å; W176-F221 AromaticContact CE3-CZ 3.25Å; W176-F221 HydrophobicContact CE3-CZ 3.25Å; W176-F221 AromaticContact CG-CE1 3.95Å; W176-F221 HydrophobicContact CG-CE1 3.95Å; W176-F221 AromaticContact CG-CZ 3.66Å; W176-F221 HydrophobicContact CG-CZ 3.66Å; W176-F221 HydrophobicContact CH2-CE2 4.01Å; W176-F221 HydrophobicContact CH2-CZ 4.15Å; W176-F221 HydrophobicContact CZ2-CE2 4.35Å; W176-F221 HydrophobicContact CZ2-CZ 4.14Å; W176-F221 AromaticContact CZ3-CE2 3.64Å; W176-F221 HydrophobicContact CZ3-CE2 3.64Å; W176-F221 AromaticContact CZ3-CZ 3.72Å; W176-F221 HydrophobicContact CZ3-CZ 3.72Å; L212-F221 HydrophobicContact CB-CD2 4.47Å; L212-F221 HydrophobicContact CB-CE1 3.86Å; L212-F221 HydrophobicContact CB-CE2 3.75Å; L212-F221 HydrophobicContact CB-CZ 3.38Å; L212-F221 HydrophobicContact CD1-CE2 3.81Å; L212-F221 HydrophobicContact CD1-CZ 3.95Å; L212-F221 HydrophobicContact CG-CE2 4.46Å; L212-F221 HydrophobicContact CG-CZ 4.25Å; L212-F221 PolarHBondContact O-N 3.44Å; F221-F467 VanDerWaalsContact C-CZ 3.43Å
222Y90.8Very high90.4Very high20 Ų2029.1 Ų29.18%0.07815%0.148CC..EExtended strand (participates in β ladder)trans-148.3149.7173.9-172.7-118.2000110.8A163 L212 R224 L239 E242 L243 L246A163-Y222 HydrophobicContact CB-CD2 3.78Å; A163-Y222 HydrophobicContact CB-CE2 4.22Å; L212-Y222 HydrophobicContact CD1-CD1 4.04Å; L212-Y222 PolarHBondContact N-O 2.87Å; Y222-R224 HydrophobicContact CE1-CB 4.47Å; Y222-L239 HydrophobicContact CE1-CD1 4.38Å; Y222-E242 PolarHBondContact OH-OE2 3.36Å; Y222-L243 HydrophobicContact CD1-CD2 4.29Å; Y222-L246 HydrophobicContact CD2-CD1 3.83Å; Y222-L246 HydrophobicContact CE1-CD1 4.3Å; Y222-L246 HydrophobicContact CE2-CD1 3.47Å; Y222-L246 VanDerWaalsContact CE2-CD1 3.47Å; Y222-L246 HydrophobicContact CG-CD1 4.38Å
223Y93.6Very high90.5Very high26 Ų2631.1 Ų31.110%0.10216%0.16CC..EExtended strand (participates in β ladder)trans-134.9159.217276.2-83.3000110.4V159 L209 L210 L211 L463 F464 F467V159-Y223 HydrophobicContact CG1-CE1 3.95Å; L209-Y223 HydrophobicContact CD1-CD2 3.75Å; L209-Y223 HydrophobicContact CD1-CG 4.41Å; L210-Y223 CarbonylContact O-C 3.58Å; L210-Y223 WeakPolarHBondContact O-CA 3.49Å; L211-Y223 VanDerWaalsContact CD2-CB 3.46Å; Y223-L463 HydrophobicContact CE2-CB 4.09Å; Y223-F464 HydrophobicContact CE1-CD2 4.2Å; Y223-F464 WeakPolarHBondContact OH-CA 3.33Å; Y223-F464 WeakPolarHBondContact OH-CB 3.49Å; Y223-F464 PolarHBondContact OH-N 3.47Å; Y223-F467 HydrophobicContact CD1-CB 3.71Å; Y223-F467 AromaticContact CD1-CD1 3.7Å; Y223-F467 HydrophobicContact CD1-CD1 3.7Å; Y223-F467 AromaticContact CD1-CD2 3.58Å; Y223-F467 HydrophobicContact CD1-CD2 3.58Å; Y223-F467 HydrophobicContact CD1-CE1 4.21Å; Y223-F467 HydrophobicContact CD1-CE2 4.09Å; Y223-F467 AromaticContact CD1-CG 3.36Å; Y223-F467 HydrophobicContact CD1-CG 3.36Å; Y223-F467 HydrophobicContact CD1-CZ 4.41Å; Y223-F467 HydrophobicContact CE1-CB 3.94Å; Y223-F467 AromaticContact CE1-CD1 4Å; Y223-F467 HydrophobicContact CE1-CD1 4Å; Y223-F467 AromaticContact CE1-CG 3.91Å; Y223-F467 HydrophobicContact CE1-CG 3.91Å; Y223-F467 HydrophobicContact CG-CB 4.33Å; Y223-F467 HydrophobicContact CG-CD2 4.02Å; Y223-F467 HydrophobicContact CG-CG 4.15Å
224R93.4Very high90.8Very high32 Ų3238.2 Ų38.212%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-141123.5176.7-168.2176.2-179-139.1-14110.3L210 Y222 L226 T235 T238 E242L210-R224 HydrophobicContact CB-CB 4.37Å; L210-R224 PolarHBondContact N-O 2.97Å; L210-R224 PolarHBondContact O-N 2.69Å; Y222-R224 HydrophobicContact CE1-CB 4.47Å; R224-L226 HydrophobicContact CG-CD2 4.22Å; R224-T235 PolarHBondContact NH1-O 2.8Å; R224-T238 VanDerWaalsContact NH2-CB 3.32Å; R224-E242 VanDerWaalsContact CD-OE2 3.3Å; R224-E242 WeakPolarHBondContact CD-OE2 3.26Å; R224-E242 IonicContact CZ-OE1 3.06Å; R224-E242 VanDerWaalsContact CZ-OE1 3.27Å; R224-E242 IonicContact NE-OE1 3.44Å; R224-E242 PolarHBondContact NE-OE1 3Å; R224-E242 IonicContact NE-OE2 3.9Å; R224-E242 PolarHBondContact NE-OE2 3.47Å; R224-E242 IonicContact NH2-OE1 3.68Å; R224-E242 PolarHBondContact NH2-OE1 2.9Å
225K94.5Very high91.2Very high30 Ų3038.3 Ų38.313%0.1319%0.191CC..EExtended strand (participates in β ladder)trans-84.9131.3170.3-177.4-174.861.61580109.4I207 E456 L459 N460 L463I207-K225 HydrophobicContact CB-CG 4.43Å; I207-K225 HydrophobicContact CD1-CD 4.15Å; I207-K225 HydrophobicContact CD1-CG 4.1Å; K225-E456 IonicContact NZ-OE2 2.83Å; K225-E456 PolarHBondContact NZ-OE2 2.73Å; K225-L459 HydrophobicContact CD-CD2 3.92Å; K225-N460 WeakPolarHBondContact CE-OD1 3.21Å; K225-N460 PolarHBondContact NZ-OD1 2.97Å; K225-L463 HydrophobicContact CB-CD1 4.11Å; K225-L463 HydrophobicContact CD-CD1 3.67Å; K225-L463 HydrophobicContact CG-CD1 4.01Å
226L94.7Very high91.7Very high12 Ų1236.2 Ų36.26%0.06318%0.182CC..EExtended strand (participates in β ladder)trans-125.6154.3172.7-63.7-175.1000111N208 L210 R224 I230 T235N208-L226 HydrophobicContact CB-CB 4.16Å; N208-L226 PolarHBondContact N-O 2.86Å; N208-L226 PolarHBondContact O-N 2.69Å; L210-L226 HydrophobicContact CD1-CB 4.16Å; L210-L226 HydrophobicContact CD1-CD1 3.25Å; L210-L226 HydrophobicContact CD1-CG 3.45Å; L210-L226 VanDerWaalsContact CD1-CG 3.45Å; L210-L226 HydrophobicContact CD2-CD1 4.39Å; L210-L226 HydrophobicContact CG-CD1 4.48Å; R224-L226 HydrophobicContact CG-CD2 4.22Å; L226-I230 HydrophobicContact CB-CB 4.46Å; L226-I230 HydrophobicContact CB-CD1 4.25Å; L226-I230 HydrophobicContact CD1-CB 4.49Å; L226-I230 HydrophobicContact CD1-CG2 4.03Å; L226-I230 HydrophobicContact CD2-CD1 4.36Å; L226-T235 HydrophobicContact CD1-CG2 3.25Å
227S94.9Very high92.2Very high13 Ų1332.2 Ų32.29%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-61.1139.3169.2179.90000110.5Q192 K194 N229 I230Q192-S227 VanDerWaalsContact O-CA 3.26Å; Q192-S227 WeakPolarHBondContact O-CA 3.5Å; Q192-S227 PolarHBondContact O-OG 3.15Å; K194-S227 WeakPolarHBondContact CD-OG 3.27Å; S227-N229 WeakPolarHBondContact CB-OD1 3.46Å; S227-N229 PolarHBondContact O-N 3.34Å; S227-N229 PolarHBondContact OG-OD1 2.75Å; S227-I230 WeakPolarHBondContact O-CB 3.37Å; S227-I230 PolarHBondContact O-N 3.25Å
228G93.2Very high92.7Very high1 Ų134.2 Ų34.21%0.0118%0.178CC..THydrogen-bonded Turntrans-58.8-26.5-171.600000115.2Q192 G196 Q206 N208 I230Q192-G228 PolarHBondContact O-N 2.8Å; Q192-G228 VanDerWaalsContact O-N 3.17Å; G196-G228 WeakPolarHBondContact CA-O 3.32Å; Q206-G228 WeakPolarHBondContact O-CA 3.33Å; Q206-G228 PolarHBondContact O-N 3.1Å; N208-G228 PolarHBondContact ND2-O 3.32Å; G228-I230 VanDerWaalsContact C-N 3.3Å; G228-I230 PolarHBondContact O-N 2.64Å
229N94Very high93Very high86 Ų8634 Ų3446%0.4618%0.176SC..THydrogen-bonded Turntrans-81-1.7178.171.9-40.4000114.4K194 Y195 S227 P231K194-N229 HydrophobicContact CB-CB 4.19Å; Y195-N229 WeakPolarHBondContact O-CA 3.48Å; Y195-N229 WeakPolarHBondContact O-CB 3.36Å; S227-N229 WeakPolarHBondContact CB-OD1 3.46Å; S227-N229 PolarHBondContact O-N 3.34Å; S227-N229 PolarHBondContact OG-OD1 2.75Å; N229-P231 WeakPolarHBondContact O-CD 3.49Å
230I95.2Very high93Very high58 Ų5833.4 Ų33.430%0.29717%0.173SC..  trans-85.3116.6178.6-61176.1000109.2N208 L226 S227 G228 T235N208-I230 PolarHBondContact ND2-O 3.25Å; L226-I230 HydrophobicContact CB-CB 4.46Å; L226-I230 HydrophobicContact CB-CD1 4.25Å; L226-I230 HydrophobicContact CD1-CB 4.49Å; L226-I230 HydrophobicContact CD1-CG2 4.03Å; L226-I230 HydrophobicContact CD2-CD1 4.36Å; S227-I230 WeakPolarHBondContact O-CB 3.37Å; S227-I230 PolarHBondContact O-N 3.25Å; G228-I230 VanDerWaalsContact C-N 3.3Å; G228-I230 PolarHBondContact O-N 2.64Å; I230-T235 HydrophobicContact CG2-CG2 4.2Å
231P93.9Very high93Very high72 Ų7238.7 Ų38.747%0.46820%0.196SC..  trans-75.3145.4178.531.4-35.2000111.8N229 V233 K234N229-P231 WeakPolarHBondContact O-CD 3.49Å; P231-V233 HydrophobicContact CB-CG1 4.31Å; P231-V233 HydrophobicContact CG-CG1 4.33Å; P231-V233 PolarHBondContact O-N 3.43Å; P231-V233 VanDerWaalsContact O-N 3.15Å; P231-K234 HydrophobicContact CG-CB 4.31Å; P231-K234 HydrophobicContact CG-CG 3.81Å; P231-K234 PolarHBondContact O-N 2.77Å
232D94Very high93.1Very high31 Ų3140 Ų4017%0.16620%0.202CC..G310 helixtrans-50.1-40.7180-68-21.6000113.3S180 K199 K234 T235 F259S180-D232 WeakPolarHBondContact CB-OD1 3.4Å; S180-D232 PolarHBondContact OG-OD1 2.89Å; S180-D232 PolarHBondContact OG-OD2 3.18Å; K199-D232 IonicContact NZ-OD2 3.64Å; D232-K234 PolarHBondContact O-N 3.17Å; D232-T235 WeakPolarHBondContact O-CG2 3.31Å; D232-T235 PolarHBondContact O-N 3.43Å; D232-T235 PolarHBondContact O-OG1 2.97Å; D232-F259 HydrophobicContact CB-CD1 3.88Å; D232-F259 HydrophobicContact CB-CE1 3.6Å; D232-F259 HydrophobicContact CB-CE2 4.43Å; D232-F259 HydrophobicContact CB-CG 4.41Å; D232-F259 HydrophobicContact CB-CZ 3.9Å; D232-F259 VanDerWaalsContact O-CD1 3.32Å; D232-F259 WeakPolarHBondContact O-CD1 3.27Å
233V93.9Very high93Very high43 Ų4339 Ų3926%0.26120%0.198SC..G310 helixtrans-58.4-20.8178.974.40000114P231 G258 Y260 N264P231-V233 HydrophobicContact CB-CG1 4.31Å; P231-V233 HydrophobicContact CG-CG1 4.33Å; P231-V233 PolarHBondContact O-N 3.43Å; P231-V233 VanDerWaalsContact O-N 3.15Å; V233-G258 WeakPolarHBondContact CB-O 3.33Å; V233-G258 PolarHBondContact N-O 3.4Å; V233-Y260 WeakPolarHBondContact CG2-O 3.1Å; V233-N264 PolarHBondContact O-ND2 2.81Å; V233-N264 PolarHBondContact O-OD1 2.75Å
234K94.6Very high92.7Very high152 Ų15242.5 Ų42.566%0.66122%0.219SC*.G310 helixtrans-93.7-2.2-179.2-66.6-66.3-174.6177.70113.7P231 D232P231-K234 HydrophobicContact CG-CB 4.31Å; P231-K234 HydrophobicContact CG-CG 3.81Å; P231-K234 PolarHBondContact O-N 2.77Å; D232-K234 PolarHBondContact O-N 3.17Å
235T94.5Very high92.4Very high2 Ų245.7 Ų45.71%0.01224%0.237CC..THydrogen-bonded Turntrans-90.6-26.7-168.370.30000113.9Y178 L210 R224 L226 I230 D232 N237 T238 L239Y178-T235 WeakPolarHBondContact CE1-OG1 3.45Å; Y178-T235 VanDerWaalsContact OH-CB 3.31Å; Y178-T235 WeakPolarHBondContact OH-CB 3.38Å; Y178-T235 PolarHBondContact OH-OG1 3.1Å; L210-T235 HydrophobicContact CD2-CG2 4.1Å; R224-T235 PolarHBondContact NH1-O 2.8Å; L226-T235 HydrophobicContact CD1-CG2 3.25Å; I230-T235 HydrophobicContact CG2-CG2 4.2Å; D232-T235 WeakPolarHBondContact O-CG2 3.31Å; D232-T235 PolarHBondContact O-N 3.43Å; D232-T235 PolarHBondContact O-OG1 2.97Å; T235-N237 PolarHBondContact O-N 3.04Å; T235-T238 PolarHBondContact O-N 3.1Å; T235-L239 PolarHBondContact O-N 3.28Å
236V93.7Very high92Very high1 Ų144.7 Ų44.71%0.00623%0.233CC..Hα-helixtrans-59.4-45.3-170.6-179.60000112.8Y178 T238 L239 V240 M255 F259 N264 L268Y178-V236 HydrophobicContact CE1-CG2 4.4Å; V236-T238 PolarHBondContact O-N 3.31Å; V236-L239 WeakPolarHBondContact O-CB 2.99Å; V236-L239 PolarHBondContact O-N 2.96Å; V236-V240 HydrophobicContact CG1-CG2 4.5Å; V236-V240 WeakPolarHBondContact O-CG2 3.46Å; V236-V240 PolarHBondContact O-N 3.19Å; V236-M255 HydrophobicContact CG2-SD 3.92Å; V236-F259 HydrophobicContact CG2-CB 4.22Å; V236-F259 HydrophobicContact CG2-CD1 4.14Å; V236-N264 HydrophobicContact CB-CB 4.29Å; V236-N264 HydrophobicContact CG1-CB 4.33Å; V236-N264 HydrophobicContact CG2-CB 4.37Å; V236-L268 HydrophobicContact CG1-CD2 4.15Å; V236-L268 HydrophobicContact CG1-CG 4.45Å
237N91.4Very high91.5Very high58 Ų5847.1 Ų47.131%0.3126%0.261SS..Hα-helixtrans-61.7-46.1-177.6-175.15.7000112.1T235 L239 V240 K241 Q267T235-N237 PolarHBondContact O-N 3.04Å; N237-L239 VanDerWaalsContact C-N 3.34Å; N237-V240 PolarHBondContact O-N 3.35Å; N237-K241 PolarHBondContact O-N 3.35Å; N237-K241 WeakPolarHBondContact OD1-CE 3.17Å; N237-Q267 HydrophobicContact CB-CG 4.33Å; N237-Q267 PolarHBondContact OD1-NE2 2.92Å
238T92.9Very high90.8Very high61 Ų6147.4 Ų47.437%0.37426%0.26SS..Hα-helixtrans-69.2-36177.6-46.70000111.4R224 T235 V236 V240 K241 E242R224-T238 VanDerWaalsContact NH2-CB 3.32Å; T235-T238 PolarHBondContact O-N 3.1Å; V236-T238 PolarHBondContact O-N 3.31Å; T238-V240 PolarHBondContact O-N 2.92Å; T238-K241 PolarHBondContact O-N 2.98Å; T238-E242 HydrophobicContact CG2-CG 4.34Å; T238-E242 WeakPolarHBondContact O-CG 3.45Å; T238-E242 PolarHBondContact O-N 3.46Å
239L92.1Very high89.8Confident1 Ų149.2 Ų49.21%0.00528%0.278CS..Hα-helixtrans-56.1-51.9174.3-179.874.8000111Y178 L212 Y222 T235 V236 N237 K241 E242 L243 F253Y178-L239 HydrophobicContact CD1-CD2 3.91Å; Y178-L239 HydrophobicContact CD2-CD2 3.82Å; Y178-L239 HydrophobicContact CE1-CD2 3.75Å; Y178-L239 HydrophobicContact CE2-CD1 3.97Å; Y178-L239 HydrophobicContact CE2-CD2 3.64Å; Y178-L239 HydrophobicContact CE2-CG 4.33Å; Y178-L239 HydrophobicContact CG-CD2 3.91Å; L212-L239 HydrophobicContact CD1-CD1 4.13Å; L212-L239 HydrophobicContact CD2-CD2 4.41Å; Y222-L239 HydrophobicContact CE1-CD1 4.38Å; T235-L239 PolarHBondContact O-N 3.28Å; V236-L239 WeakPolarHBondContact O-CB 2.99Å; V236-L239 PolarHBondContact O-N 2.96Å; N237-L239 VanDerWaalsContact C-N 3.34Å; L239-K241 PolarHBondContact O-N 3.43Å; L239-E242 PolarHBondContact O-N 3.06Å; L239-E242 VanDerWaalsContact O-N 3.12Å; L239-L243 HydrophobicContact CD1-CD1 4.15Å; L239-L243 HydrophobicContact CD1-CG 4.19Å; L239-L243 HydrophobicContact CD2-CD1 4.14Å; L239-L243 HydrophobicContact CG-CD1 3.73Å; L239-L243 HydrophobicContact CG-CG 4.14Å; L239-L243 WeakPolarHBondContact O-CB 3.02Å; L239-L243 VanDerWaalsContact O-CG 3.25Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 3.3Å; L239-F253 HydrophobicContact CD2-CD1 4.5Å; L239-F253 HydrophobicContact CD2-CE1 3.71Å; L239-F253 HydrophobicContact CD2-CZ 4.2Å
240V90.3Very high89.2Confident2 Ų252.9 Ų52.91%0.01229%0.29CS..Hα-helixtrans-54.7-42.4179.8165.80000111.5V236 N237 T238 D244 F253 L268 H271 H273V236-V240 HydrophobicContact CG1-CG2 4.5Å; V236-V240 WeakPolarHBondContact O-CG2 3.46Å; V236-V240 PolarHBondContact O-N 3.19Å; N237-V240 PolarHBondContact O-N 3.35Å; T238-V240 PolarHBondContact O-N 2.92Å; V240-D244 PolarHBondContact O-N 3.47Å; V240-D244 VanDerWaalsContact O-N 3.09Å; V240-F253 HydrophobicContact CG2-CE2 4.42Å; V240-L268 HydrophobicContact CG2-CD2 4.28Å; V240-H271 HydrophobicContact CG1-CB 3.88Å; V240-H273 WeakPolarHBondContact CG1-NE2 3.21Å
241K90.2Very high88.8Confident111 Ų11150.3 Ų50.348%0.48328%0.277SS..Hα-helixtrans-68.4-42.4177.4-65.5175.6-177.3179.60113N237 T238 L239 L243 D244 I245N237-K241 PolarHBondContact O-N 3.35Å; N237-K241 WeakPolarHBondContact OD1-CE 3.17Å; T238-K241 PolarHBondContact O-N 2.98Å; L239-K241 PolarHBondContact O-N 3.43Å; K241-L243 VanDerWaalsContact C-N 3.32Å; K241-D244 PolarHBondContact O-N 3.5Å; K241-I245 WeakPolarHBondContact O-CG1 3.42Å; K241-I245 PolarHBondContact O-N 3.18Å; K241-I245 VanDerWaalsContact O-N 3.15Å
242E90Very high88.7Confident28 Ų2849 Ų4913%0.13126%0.264CS..Hα-helixtrans-62.3-42.5176.3-75.8176.8-161.300110.9Y222 R224 T238 L239 D244 I245 L246Y222-E242 PolarHBondContact OH-OE2 3.36Å; R224-E242 VanDerWaalsContact CD-OE2 3.3Å; R224-E242 WeakPolarHBondContact CD-OE2 3.26Å; R224-E242 IonicContact CZ-OE1 3.06Å; R224-E242 VanDerWaalsContact CZ-OE1 3.27Å; R224-E242 IonicContact NE-OE1 3.44Å; R224-E242 PolarHBondContact NE-OE1 3Å; R224-E242 IonicContact NE-OE2 3.9Å; R224-E242 PolarHBondContact NE-OE2 3.47Å; R224-E242 IonicContact NH2-OE1 3.68Å; R224-E242 PolarHBondContact NH2-OE1 2.9Å; T238-E242 HydrophobicContact CG2-CG 4.34Å; T238-E242 WeakPolarHBondContact O-CG 3.45Å; T238-E242 PolarHBondContact O-N 3.46Å; L239-E242 PolarHBondContact O-N 3.06Å; L239-E242 VanDerWaalsContact O-N 3.12Å; E242-D244 PolarHBondContact O-N 3.39Å; E242-I245 WeakPolarHBondContact O-CB 2.9Å; E242-I245 PolarHBondContact O-N 2.9Å; E242-L246 VanDerWaalsContact O-CG 3.28Å; E242-L246 WeakPolarHBondContact O-CG 3.23Å; E242-L246 PolarHBondContact O-N 3.23Å
243L88.2Confident88.6Confident0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-63.5-41.2178.4-69.8177.1000111.9W176 L212 Y222 L239 K241 I245 L246 G247 Y248 V251 F253W176-L243 HydrophobicContact CZ3-CD1 4.49Å; W176-L243 HydrophobicContact CZ3-CD2 4.34Å; L212-L243 HydrophobicContact CD1-CD1 4.06Å; L212-L243 HydrophobicContact CD1-CD2 3.6Å; L212-L243 HydrophobicContact CD1-CG 4.38Å; Y222-L243 HydrophobicContact CD1-CD2 4.29Å; L239-L243 HydrophobicContact CD1-CD1 4.15Å; L239-L243 HydrophobicContact CD1-CG 4.19Å; L239-L243 HydrophobicContact CD2-CD1 4.14Å; L239-L243 HydrophobicContact CG-CD1 3.73Å; L239-L243 HydrophobicContact CG-CG 4.14Å; L239-L243 WeakPolarHBondContact O-CB 3.02Å; L239-L243 VanDerWaalsContact O-CG 3.25Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 3.3Å; K241-L243 VanDerWaalsContact C-N 3.32Å; L243-I245 VanDerWaalsContact C-N 3.35Å; L243-I245 PolarHBondContact O-N 3.32Å; L243-L246 PolarHBondContact O-N 3Å; L243-L246 VanDerWaalsContact O-N 3.15Å; L243-G247 PolarHBondContact O-N 2.9Å; L243-G247 VanDerWaalsContact O-N 3.16Å; L243-Y248 HydrophobicContact CB-CD2 4.14Å; L243-Y248 HydrophobicContact CD2-CD2 3.47Å; L243-Y248 VanDerWaalsContact CD2-CD2 3.47Å; L243-Y248 HydrophobicContact CD2-CE2 4.06Å; L243-Y248 HydrophobicContact CD2-CG 4.44Å; L243-Y248 HydrophobicContact CG-CD2 4.38Å; L243-Y248 WeakPolarHBondContact O-CA 3.35Å; L243-Y248 WeakPolarHBondContact O-CB 3.45Å; L243-Y248 PolarHBondContact O-N 3.38Å; L243-V251 HydrophobicContact CD1-CG2 4.38Å; L243-F253 HydrophobicContact CD1-CE1 3.79Å; L243-F253 HydrophobicContact CD1-CZ 3.5Å; L243-F253 VanDerWaalsContact CD1-CZ 3.5Å
244D87Confident88.7Confident99 Ų9945.7 Ų45.753%0.52925%0.245SC..Hα-helixtrans-59.1-44.5173.7-16433000111.7V240 K241 E242 L246 G247V240-D244 PolarHBondContact O-N 3.47Å; V240-D244 VanDerWaalsContact O-N 3.09Å; K241-D244 PolarHBondContact O-N 3.5Å; E242-D244 PolarHBondContact O-N 3.39Å; D244-L246 VanDerWaalsContact C-N 3.27Å; D244-L246 PolarHBondContact O-N 3.24Å; D244-G247 PolarHBondContact O-N 2.85Å
245I87.3Confident88.7Confident98 Ų9838.5 Ų38.550%0.50321%0.214SC..Hα-helixtrans-63.1-31.9175.9-66.8163.9000112.6K241 E242 L243K241-I245 WeakPolarHBondContact O-CG1 3.42Å; K241-I245 PolarHBondContact O-N 3.18Å; K241-I245 VanDerWaalsContact O-N 3.15Å; E242-I245 WeakPolarHBondContact O-CB 2.9Å; E242-I245 PolarHBondContact O-N 2.9Å; L243-I245 VanDerWaalsContact C-N 3.35Å; L243-I245 PolarHBondContact O-N 3.32Å
246L86.8Confident88.6Confident10 Ų1039.9 Ų39.95%0.05222%0.221CC..Hα-helixtrans-80.6-5.8176.8-65.2170.7000112.6R160 A163 R164 Y222 E242 L243 D244 Y248R160-L246 HydrophobicContact CB-CD2 4.1Å; R160-L246 HydrophobicContact CG-CD2 4.37Å; A163-L246 HydrophobicContact CB-CD1 4.49Å; A163-L246 HydrophobicContact CB-CD2 4.37Å; R164-L246 HydrophobicContact CG-CB 4.36Å; R164-L246 HydrophobicContact CG-CD2 3.78Å; Y222-L246 HydrophobicContact CD2-CD1 3.83Å; Y222-L246 HydrophobicContact CE1-CD1 4.3Å; Y222-L246 HydrophobicContact CE2-CD1 3.47Å; Y222-L246 VanDerWaalsContact CE2-CD1 3.47Å; Y222-L246 HydrophobicContact CG-CD1 4.38Å; E242-L246 VanDerWaalsContact O-CG 3.28Å; E242-L246 WeakPolarHBondContact O-CG 3.23Å; E242-L246 PolarHBondContact O-N 3.23Å; L243-L246 PolarHBondContact O-N 3Å; L243-L246 VanDerWaalsContact O-N 3.15Å; D244-L246 VanDerWaalsContact C-N 3.27Å; D244-L246 PolarHBondContact O-N 3.24Å; L246-Y248 HydrophobicContact CB-CD2 3.63Å; L246-Y248 HydrophobicContact CB-CE2 3.34Å; L246-Y248 HydrophobicContact CD1-CD2 4.4Å; L246-Y248 HydrophobicContact CD1-CE2 3.85Å; L246-Y248 HydrophobicContact CG-CE2 4.23Å
247G83.5Confident88.7Confident63 Ų6347 Ų4765%0.64925%0.248SC*.THydrogen-bonded Turntrans92.818.4179.600000114.2L243 D244L243-G247 PolarHBondContact O-N 2.9Å; L243-G247 VanDerWaalsContact O-N 3.16Å; D244-G247 PolarHBondContact O-N 2.85Å
248Y80.1Confident88.7Confident19 Ų1946.3 Ų46.38%0.07525%0.254CS..  trans-103.865.3178.6-45.7-51.6000111.4A163 G167 W176 L243 L246 K250A163-Y248 VanDerWaalsContact C-OH 3.29Å; A163-Y248 PolarHBondContact O-OH 2.65Å; G167-Y248 WeakPolarHBondContact CA-OH 3.39Å; W176-Y248 AromaticContact CH2-CD1 3.87Å; W176-Y248 HydrophobicContact CH2-CD1 3.87Å; W176-Y248 HydrophobicContact CH2-CD2 4.36Å; W176-Y248 AromaticContact CH2-CG 3.72Å; W176-Y248 HydrophobicContact CH2-CG 3.72Å; W176-Y248 HydrophobicContact CZ3-CD2 4.31Å; W176-Y248 HydrophobicContact CZ3-CG 4.03Å; L243-Y248 HydrophobicContact CB-CD2 4.14Å; L243-Y248 HydrophobicContact CD2-CD2 3.47Å; L243-Y248 VanDerWaalsContact CD2-CD2 3.47Å; L243-Y248 HydrophobicContact CD2-CE2 4.06Å; L243-Y248 HydrophobicContact CD2-CG 4.44Å; L243-Y248 HydrophobicContact CG-CD2 4.38Å; L243-Y248 WeakPolarHBondContact O-CA 3.35Å; L243-Y248 WeakPolarHBondContact O-CB 3.45Å; L243-Y248 PolarHBondContact O-N 3.38Å; L246-Y248 HydrophobicContact CB-CD2 3.63Å; L246-Y248 HydrophobicContact CB-CE2 3.34Å; L246-Y248 HydrophobicContact CD1-CD2 4.4Å; L246-Y248 HydrophobicContact CD1-CE2 3.85Å; L246-Y248 HydrophobicContact CG-CE2 4.23Å; Y248-K250 VanDerWaalsContact C-N 3.32Å; Y248-K250 PolarHBondContact O-N 2.9Å
249G73Confident88.8Confident38 Ų3843.4 Ų43.439%0.39224%0.236SC..  trans-67.3-26.9-172.600000114.8H273G249-H273 PolarHBondContact O-CE1 3.48Å; G249-H273 VanDerWaalsContact O-CE1 3.27Å
250K81.7Confident89Confident164 Ų16445.2 Ų45.271%0.71324%0.243SC*.SBendtrans-133.6100.6-176.9-69.4-177-176.5173.60112Y248Y248-K250 VanDerWaalsContact C-N 3.32Å; Y248-K250 PolarHBondContact O-N 2.9Å
251V85.1Confident89.3Confident4 Ų446.5 Ų46.52%0.02425%0.252CS..  trans-111.8150.4-178179.30000111.7W176 L243 F253 H273 K274W176-V251 HydrophobicContact CB-CG1 4.06Å; W176-V251 HydrophobicContact CD2-CB 4.47Å; W176-V251 HydrophobicContact CD2-CG1 3.45Å; W176-V251 VanDerWaalsContact CD2-CG1 3.45Å; W176-V251 HydrophobicContact CD2-CG2 4.39Å; W176-V251 HydrophobicContact CE3-CB 3.95Å; W176-V251 HydrophobicContact CE3-CG1 3.1Å; W176-V251 HydrophobicContact CE3-CG2 3.58Å; W176-V251 HydrophobicContact CG-CG1 3.91Å; W176-V251 HydrophobicContact CH2-CG2 3.68Å; W176-V251 HydrophobicContact CZ2-CG2 4.46Å; W176-V251 HydrophobicContact CZ3-CB 4.07Å; W176-V251 HydrophobicContact CZ3-CG1 3.73Å; W176-V251 HydrophobicContact CZ3-CG2 3.18Å; L243-V251 HydrophobicContact CD1-CG2 4.38Å; V251-F253 HydrophobicContact CB-CD2 4.34Å; V251-F253 HydrophobicContact CB-CE1 4.37Å; V251-F253 HydrophobicContact CB-CE2 3.75Å; V251-F253 HydrophobicContact CB-CZ 3.76Å; V251-F253 HydrophobicContact CG1-CD1 3.91Å; V251-F253 HydrophobicContact CG1-CD2 4Å; V251-F253 HydrophobicContact CG1-CE1 3.6Å; V251-F253 HydrophobicContact CG1-CE2 3.71Å; V251-F253 HydrophobicContact CG1-CG 4.1Å; V251-F253 HydrophobicContact CG1-CZ 3.49Å; V251-F253 VanDerWaalsContact CG1-CZ 3.49Å; V251-F253 HydrophobicContact CG2-CZ 4.36Å; V251-H273 PolarHBondContact N-ND1 2.99Å; V251-H273 VanDerWaalsContact N-ND1 3.17Å; V251-H273 WeakPolarHBondContact O-CA 3.43Å; V251-H273 PolarHBondContact O-ND1 3Å; V251-K274 PolarHBondContact O-N 2.91Å
252K91.5Very high89.5Confident45 Ų4545.5 Ų45.520%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-105.6115.6166.3-47.1-168173.9-162.70109.2Y175 W176 K274 E418Y175-K252 CarbonylContact C-O 3.6Å; Y175-K252 WeakPolarHBondContact CA-O 3.47Å; Y175-K252 HydrophobicContact CD1-CB 3.62Å; Y175-K252 HydrophobicContact CD2-CB 4.28Å; Y175-K252 HydrophobicContact CD2-CD 4.01Å; Y175-K252 HydrophobicContact CE1-CB 3.76Å; Y175-K252 HydrophobicContact CE1-CD 4.45Å; Y175-K252 HydrophobicContact CE2-CB 4.37Å; Y175-K252 HydrophobicContact CE2-CD 3.72Å; Y175-K252 HydrophobicContact CG-CB 3.9Å; Y175-K252 HydrophobicContact CG-CD 4.45Å; W176-K252 PolarHBondContact N-O 3.26Å; K252-K274 CarbonylContact C-O 3.59Å; K252-K274 VanDerWaalsContact CA-O 3.3Å; K252-K274 WeakPolarHBondContact CA-O 3.35Å; K252-K274 HydrophobicContact CB-CB 3.97Å; K252-K274 HydrophobicContact CD-CB 4.36Å; K252-K274 HydrophobicContact CG-CB 3.84Å; K252-K274 HydrophobicContact CG-CG 4.17Å; K252-E418 WeakPolarHBondContact CD-OE2 3.39Å; K252-E418 WeakPolarHBondContact CE-OE2 3.31Å; K252-E418 IonicContact NZ-OE1 3.68Å; K252-E418 PolarHBondContact NZ-OE1 3.25Å; K252-E418 IonicContact NZ-OE2 3.55Å; K252-E418 PolarHBondContact NZ-OE2 2.94Å
253F93.3Very high89.8Confident1 Ų147.5 Ų47.50%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-98.7145.7-175.6-69.4-75.9000113.4W176 L212 L239 V240 L243 V251 M255 L268 H273 K274 F275 I276W176-F253 CarbonylContact O-C 3.58Å; W176-F253 WeakPolarHBondContact O-CA 3.46Å; L212-F253 HydrophobicContact CD2-CE1 4.35Å; L239-F253 HydrophobicContact CD2-CD1 4.5Å; L239-F253 HydrophobicContact CD2-CE1 3.71Å; L239-F253 HydrophobicContact CD2-CZ 4.2Å; V240-F253 HydrophobicContact CG2-CE2 4.42Å; L243-F253 HydrophobicContact CD1-CE1 3.79Å; L243-F253 HydrophobicContact CD1-CZ 3.5Å; L243-F253 VanDerWaalsContact CD1-CZ 3.5Å; V251-F253 HydrophobicContact CB-CD2 4.34Å; V251-F253 HydrophobicContact CB-CE1 4.37Å; V251-F253 HydrophobicContact CB-CE2 3.75Å; V251-F253 HydrophobicContact CB-CZ 3.76Å; V251-F253 HydrophobicContact CG1-CD1 3.91Å; V251-F253 HydrophobicContact CG1-CD2 4Å; V251-F253 HydrophobicContact CG1-CE1 3.6Å; V251-F253 HydrophobicContact CG1-CE2 3.71Å; V251-F253 HydrophobicContact CG1-CG 4.1Å; V251-F253 HydrophobicContact CG1-CZ 3.49Å; V251-F253 VanDerWaalsContact CG1-CZ 3.49Å; V251-F253 HydrophobicContact CG2-CZ 4.36Å; F253-M255 HydrophobicContact CB-CE 4.17Å; F253-M255 HydrophobicContact CB-CG 4.37Å; F253-L268 HydrophobicContact CD2-CD2 3.72Å; F253-L268 HydrophobicContact CE2-CD2 3.99Å; F253-H273 HydrophobicContact CD2-CB 4.12Å; F253-H273 HydrophobicContact CE2-CB 4.09Å; F253-H273 AromaticContact CE2-CD2 3.92Å; F253-H273 AromaticContact CE2-CG 3.77Å; F253-K274 PolarHBondContact N-O 2.97Å; F253-F275 HydrophobicContact CB-CB 4.42Å; F253-F275 CarbonylContact O-C 3.59Å; F253-F275 WeakPolarHBondContact O-CA 3.3Å; F253-I276 PolarHBondContact O-N 2.92Å
254V94.6Very high90.2Very high2 Ų248 Ų481%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-119.2121.5163.6-176.60000107.9Y175 W176 Y178 I276 T428 Y429 K432Y175-V254 HydrophobicContact CD1-CG2 3.59Å; Y175-V254 HydrophobicContact CG-CG2 4.03Å; W176-V254 PolarHBondContact O-N 3.37Å; Y178-V254 PolarHBondContact N-O 3.14Å; V254-I276 WeakPolarHBondContact CA-O 3.46Å; V254-T428 HydrophobicContact CG2-CG2 3.66Å; V254-Y429 HydrophobicContact CG1-CD2 3.75Å; V254-Y429 HydrophobicContact CG1-CE2 4.47Å; V254-K432 HydrophobicContact CG1-CB 4.32Å
255M95.1Very high90.6Very high2 Ų243.3 Ų43.31%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-137.4146.8-173.5-69.2-176.4-67.400112.8Y178 V236 F253 F259 L268 I276 V277 A278Y178-M255 HydrophobicContact CD1-CG 4.01Å; Y178-M255 HydrophobicContact CD1-SD 3.8Å; V236-M255 HydrophobicContact CG2-SD 3.92Å; F253-M255 HydrophobicContact CB-CE 4.17Å; F253-M255 HydrophobicContact CB-CG 4.37Å; M255-F259 HydrophobicContact CB-CB 4.04Å; M255-F259 HydrophobicContact CB-CD2 4.17Å; M255-F259 HydrophobicContact CB-CG 4.32Å; M255-F259 HydrophobicContact CG-CB 4.41Å; M255-F259 HydrophobicContact CG-CG 4.49Å; M255-F259 HydrophobicContact SD-CB 3.98Å; M255-F259 HydrophobicContact SD-CG 4.32Å; M255-L268 HydrophobicContact CE-CD1 3.59Å; M255-I276 PolarHBondContact N-O 3.43Å; M255-V277 HydrophobicContact CB-CG1 4.3Å; M255-V277 HydrophobicContact CB-CG2 4.28Å; M255-V277 HydrophobicContact CE-CG2 3.6Å; M255-V277 WeakPolarHBondContact O-CA 3.49Å; M255-A278 PolarHBondContact O-N 3.45Å
256D93.8Very high91Very high31 Ų3139.1 Ų39.117%0.16623%0.226CC..  trans-75.3167.4173.9-77.2-10.7000113.6G258 F259 Y429 K432D256-G258 PolarHBondContact O-N 3.37Å; D256-G258 VanDerWaalsContact O-N 3.09Å; D256-F259 HydrophobicContact CB-CD2 4.2Å; D256-F259 HydrophobicContact CB-CE2 4.47Å; D256-F259 PolarHBondContact O-N 2.75Å; D256-Y429 PolarHBondContact OD1-OH 2.84Å; D256-K432 VanDerWaalsContact CG-CE 3.47Å; D256-K432 VanDerWaalsContact OD1-CE 3.3Å; D256-K432 WeakPolarHBondContact OD1-CE 3.48Å; D256-K432 IonicContact OD1-NZ 3.85Å; D256-K432 PolarHBondContact OD1-NZ 3.18Å; D256-K432 WeakPolarHBondContact OD2-CE 3.3Å; D256-K432 IonicContact OD2-NZ 3.84Å; D256-K432 PolarHBondContact OD2-NZ 3.29Å
257R94.1Very high91.3Very high151 Ų15139.8 Ų39.857%0.5723%0.228SC*.G310 helixtrans-53.9-29.9175.3-178.4179.8167.1177.9-1.7113.4F259 Y260 A278 G280R257-F259 PolarHBondContact O-N 2.87Å; R257-Y260 WeakPolarHBondContact O-CB 3.4Å; R257-Y260 PolarHBondContact O-N 3.46Å; R257-Y260 VanDerWaalsContact O-N 3.17Å; R257-A278 WeakPolarHBondContact CA-O 3.49Å; R257-A278 HydrophobicContact CB-CB 4.18Å; R257-G280 VanDerWaalsContact CZ-CA 3.46Å
258G92.5Very high91.8Very high42 Ų4236.8 Ų36.843%0.43320%0.197SC..G310 helixtrans-61.6-24.5176.700000114.2V233 D256V233-G258 WeakPolarHBondContact CB-O 3.33Å; V233-G258 PolarHBondContact N-O 3.4Å; D256-G258 PolarHBondContact O-N 3.37Å; D256-G258 VanDerWaalsContact O-N 3.09Å
259F94.8Very high92.5Very high1 Ų137 Ų370%0.00420%0.198CC..G310 helixtrans-93.2-8.1178.8-61.3-83.1000113.1Y178 L210 D232 V236 M255 D256 R257 S261 N264Y178-F259 AromaticContact CD1-CD1 3.93Å; Y178-F259 HydrophobicContact CD1-CD1 3.93Å; Y178-F259 AromaticContact CD1-CE1 3.76Å; Y178-F259 HydrophobicContact CD1-CE1 3.76Å; Y178-F259 HydrophobicContact CD1-CG 4.44Å; Y178-F259 HydrophobicContact CD1-CZ 4.14Å; Y178-F259 AromaticContact CE1-CD1 3.63Å; Y178-F259 HydrophobicContact CE1-CD1 3.63Å; Y178-F259 AromaticContact CE1-CE1 3.35Å; Y178-F259 HydrophobicContact CE1-CE1 3.35Å; Y178-F259 HydrophobicContact CE1-CZ 4.1Å; L210-F259 HydrophobicContact CD2-CE1 4Å; L210-F259 HydrophobicContact CD2-CZ 4.3Å; D232-F259 HydrophobicContact CB-CD1 3.88Å; D232-F259 HydrophobicContact CB-CE1 3.6Å; D232-F259 HydrophobicContact CB-CE2 4.43Å; D232-F259 HydrophobicContact CB-CG 4.41Å; D232-F259 HydrophobicContact CB-CZ 3.9Å; D232-F259 VanDerWaalsContact O-CD1 3.32Å; D232-F259 WeakPolarHBondContact O-CD1 3.27Å; V236-F259 HydrophobicContact CG2-CB 4.22Å; V236-F259 HydrophobicContact CG2-CD1 4.14Å; M255-F259 HydrophobicContact CB-CB 4.04Å; M255-F259 HydrophobicContact CB-CD2 4.17Å; M255-F259 HydrophobicContact CB-CG 4.32Å; M255-F259 HydrophobicContact CG-CB 4.41Å; M255-F259 HydrophobicContact CG-CG 4.49Å; M255-F259 HydrophobicContact SD-CB 3.98Å; M255-F259 HydrophobicContact SD-CG 4.32Å; D256-F259 HydrophobicContact CB-CD2 4.2Å; D256-F259 HydrophobicContact CB-CE2 4.47Å; D256-F259 PolarHBondContact O-N 2.75Å; R257-F259 PolarHBondContact O-N 2.87Å; F259-S261 PolarHBondContact O-N 3.14Å; F259-N264 PolarHBondContact O-ND2 2.82Å
260Y96.7Very high93.4Very high39 Ų3940 Ų4015%0.15320%0.198CC..  trans-70.9128.8-177.4174.1-95000112.2V233 R257 I265 V277 V279 L283V233-Y260 WeakPolarHBondContact CG2-O 3.1Å; R257-Y260 WeakPolarHBondContact O-CB 3.4Å; R257-Y260 PolarHBondContact O-N 3.46Å; R257-Y260 VanDerWaalsContact O-N 3.17Å; Y260-I265 HydrophobicContact CD2-CD1 4.25Å; Y260-I265 HydrophobicContact CD2-CG1 4.06Å; Y260-I265 HydrophobicContact CE2-CD1 4.42Å; Y260-I265 HydrophobicContact CE2-CG1 3.88Å; Y260-V277 HydrophobicContact CD2-CG1 4.35Å; Y260-V279 HydrophobicContact CD2-CB 4.34Å; Y260-V279 HydrophobicContact CD2-CG1 3.42Å; Y260-V279 VanDerWaalsContact CD2-CG1 3.42Å; Y260-V279 HydrophobicContact CE2-CB 4.45Å; Y260-V279 HydrophobicContact CE2-CG1 3.61Å; Y260-V279 HydrophobicContact CG-CG1 4.01Å; Y260-L283 HydrophobicContact CD1-CD1 4.17Å; Y260-L283 HydrophobicContact CE1-CD1 3.43Å; Y260-L283 VanDerWaalsContact CE1-CD1 3.43Å; Y260-L283 HydrophobicContact CE1-CD2 3.86Å; Y260-L283 HydrophobicContact CE1-CG 4.28Å; Y260-L283 HydrophobicContact CE2-CD1 4.42Å
261S96.1Very high93.8Very high28 Ų2835.1 Ų35.120%0.19618%0.177CC..  trans-157.2157.616065.70000109.6F259 A263 N264 I265F259-S261 PolarHBondContact O-N 3.14Å; S261-A263 PolarHBondContact O-N 3.38Å; S261-N264 PolarHBondContact O-N 2.93Å; S261-N264 VanDerWaalsContact O-N 3.1Å; S261-N264 WeakPolarHBondContact OG-CB 3.48Å; S261-N264 PolarHBondContact OG-N 2.9Å; S261-N264 VanDerWaalsContact OG-N 3.1Å; S261-N264 PolarHBondContact OG-ND2 3.49Å; S261-I265 WeakPolarHBondContact O-CG1 3.28Å; S261-I265 PolarHBondContact O-N 3.25Å
262K95.3Very high94.1Very high90 Ų9042 Ų4239%0.39121%0.209SC..Hα-helixtrans-53.2-46174.2-177.4176.8-178.21790111.1N264 I265 D266 W318 E319 T321K262-N264 VanDerWaalsContact C-N 3.33Å; K262-N264 PolarHBondContact O-N 3.43Å; K262-I265 PolarHBondContact O-N 3Å; K262-D266 WeakPolarHBondContact O-CB 3.45Å; K262-D266 PolarHBondContact O-N 2.71Å; K262-W318 HydrophobicContact CB-CZ2 4.29Å; K262-W318 HydrophobicContact CG-CH2 4.39Å; K262-W318 HydrophobicContact CG-CZ2 3.83Å; K262-E319 VanDerWaalsContact CE-O 3.25Å; K262-E319 WeakPolarHBondContact CE-O 3.28Å; K262-E319 PolarHBondContact NZ-O 2.73Å; K262-T321 WeakPolarHBondContact CE-OG1 3.47Å
263A94.7Very high94.1Very high70 Ų7040 Ų4058%0.57920%0.2SC*.Hα-helixtrans-59.6-39.4178.400000113.1S261 Q267S261-A263 PolarHBondContact O-N 3.38Å; A263-Q267 VanDerWaalsContact O-CB 3.25Å; A263-Q267 WeakPolarHBondContact O-CB 3.33Å; A263-Q267 PolarHBondContact O-N 3.04Å
264N96.2Very high94.2Very high11 Ų1143.6 Ų43.66%0.05922%0.216CC..Hα-helixtrans-70-42.7177.4-70.5-17.6000111.8V233 V236 F259 S261 K262 Q267 L268V233-N264 PolarHBondContact O-ND2 2.81Å; V233-N264 PolarHBondContact O-OD1 2.75Å; V236-N264 HydrophobicContact CB-CB 4.29Å; V236-N264 HydrophobicContact CG1-CB 4.33Å; V236-N264 HydrophobicContact CG2-CB 4.37Å; F259-N264 PolarHBondContact O-ND2 2.82Å; S261-N264 PolarHBondContact O-N 2.93Å; S261-N264 VanDerWaalsContact O-N 3.1Å; S261-N264 WeakPolarHBondContact OG-CB 3.48Å; S261-N264 PolarHBondContact OG-N 2.9Å; S261-N264 VanDerWaalsContact OG-N 3.1Å; S261-N264 PolarHBondContact OG-ND2 3.49Å; K262-N264 VanDerWaalsContact C-N 3.33Å; K262-N264 PolarHBondContact O-N 3.43Å; N264-Q267 PolarHBondContact O-N 2.76Å; N264-L268 VanDerWaalsContact O-CG 3.28Å; N264-L268 WeakPolarHBondContact O-CG 3.25Å; N264-L268 PolarHBondContact O-N 3.07Å
265I96.6Very high94.2Very high1 Ų143.5 Ų43.51%0.00522%0.215CC..Hα-helixtrans-62-45.6176.6-61-58.7000110.6Y260 S261 K262 Q267 L268 Y269 F275 V277 W318 V415Y260-I265 HydrophobicContact CD2-CD1 4.25Å; Y260-I265 HydrophobicContact CD2-CG1 4.06Å; Y260-I265 HydrophobicContact CE2-CD1 4.42Å; Y260-I265 HydrophobicContact CE2-CG1 3.88Å; S261-I265 WeakPolarHBondContact O-CG1 3.28Å; S261-I265 PolarHBondContact O-N 3.25Å; K262-I265 PolarHBondContact O-N 3Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.24Å; I265-L268 HydrophobicContact CD1-CD1 4.41Å; I265-L268 PolarHBondContact O-N 2.83Å; I265-Y269 HydrophobicContact CG2-CD2 3.84Å; I265-Y269 HydrophobicContact CG2-CE2 3.65Å; I265-Y269 VanDerWaalsContact O-CD2 3.3Å; I265-Y269 WeakPolarHBondContact O-CD2 3.43Å; I265-Y269 PolarHBondContact O-N 3.49Å; I265-F275 HydrophobicContact CD1-CD2 4.4Å; I265-F275 HydrophobicContact CD1-CE2 4.01Å; I265-F275 HydrophobicContact CD1-CZ 4.27Å; I265-F275 HydrophobicContact CG2-CZ 3.88Å; I265-V277 HydrophobicContact CD1-CB 4.41Å; I265-V277 HydrophobicContact CD1-CG2 4.08Å; I265-W318 HydrophobicContact CB-CH2 4.41Å; I265-W318 HydrophobicContact CB-CZ2 3.7Å; I265-W318 HydrophobicContact CG1-CH2 4.48Å; I265-W318 HydrophobicContact CG1-CZ2 4.25Å; I265-W318 HydrophobicContact CG2-CD2 4.11Å; I265-W318 VanDerWaalsContact CG2-CE2 3.49Å; I265-W318 HydrophobicContact CG2-CG 4.49Å; I265-W318 HydrophobicContact CG2-CH2 4.4Å; I265-W318 HydrophobicContact CG2-CZ2 3.64Å; I265-V415 HydrophobicContact CD1-CG2 4.38Å
266D95.6Very high94.3Very high10 Ų1043.4 Ų43.45%0.05322%0.215CC..Hα-helixtrans-59.8-42.6175.4-73.7-8000111K262 L268 Y269 R270 W318 Y320 T321K262-D266 WeakPolarHBondContact O-CB 3.45Å; K262-D266 PolarHBondContact O-N 2.71Å; D266-L268 PolarHBondContact O-N 2.72Å; D266-Y269 PolarHBondContact O-N 3.13Å; D266-R270 WeakPolarHBondContact O-CB 3.21Å; D266-R270 PolarHBondContact O-N 2.88Å; D266-W318 PolarHBondContact OD1-NE1 2.7Å; D266-Y320 HydrophobicContact CB-CD2 4.15Å; D266-Y320 HydrophobicContact CB-CE2 4.19Å; D266-Y320 WeakPolarHBondContact O-CE2 3.48Å; D266-T321 WeakPolarHBondContact CB-O 3.43Å; D266-T321 PolarHBondContact OD2-N 2.93Å; D266-T321 VanDerWaalsContact OD2-N 3.14Å; D266-T321 VanDerWaalsContact OD2-O 3.07Å; D266-T321 PolarHBondContact OD2-OG1 2.8Å
267Q92.8Very high94.5Very high23 Ų2342 Ų4211%0.10721%0.207CC..Hα-helixtrans-63.7-39.8177.2-173.562.6900112.8N237 A263 N264 I265 R270 H271N237-Q267 HydrophobicContact CB-CG 4.33Å; N237-Q267 PolarHBondContact OD1-NE2 2.92Å; A263-Q267 VanDerWaalsContact O-CB 3.25Å; A263-Q267 WeakPolarHBondContact O-CB 3.33Å; A263-Q267 PolarHBondContact O-N 3.04Å; N264-Q267 PolarHBondContact O-N 2.76Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.24Å; Q267-R270 WeakPolarHBondContact O-CB 3.47Å; Q267-R270 PolarHBondContact O-N 3.03Å; Q267-H271 PolarHBondContact NE2-CD2 2.78Å; Q267-H271 PolarHBondContact NE2-NE2 2.84Å; Q267-H271 PolarHBondContact O-CD2 3.05Å; Q267-H271 PolarHBondContact O-N 3.44Å; Q267-H271 VanDerWaalsContact O-N 3.17Å
268L94.6Very high94.7Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-64.4-41.7175.5-65.8166.8000111.6V236 V240 F253 M255 N264 I265 D266 H271 H272 H273 F275V236-L268 HydrophobicContact CG1-CD2 4.15Å; V236-L268 HydrophobicContact CG1-CG 4.45Å; V240-L268 HydrophobicContact CG2-CD2 4.28Å; F253-L268 HydrophobicContact CD2-CD2 3.72Å; F253-L268 HydrophobicContact CE2-CD2 3.99Å; M255-L268 HydrophobicContact CE-CD1 3.59Å; N264-L268 VanDerWaalsContact O-CG 3.28Å; N264-L268 WeakPolarHBondContact O-CG 3.25Å; N264-L268 PolarHBondContact O-N 3.07Å; I265-L268 HydrophobicContact CD1-CD1 4.41Å; I265-L268 PolarHBondContact O-N 2.83Å; D266-L268 PolarHBondContact O-N 2.72Å; L268-H271 PolarHBondContact O-N 3.25Å; L268-H272 PolarHBondContact O-N 3.24Å; L268-H272 VanDerWaalsContact O-N 3.15Å; L268-H273 HydrophobicContact CB-CB 4.39Å; L268-H273 HydrophobicContact CD2-CB 4.04Å; L268-H273 PolarHBondContact O-N 2.72Å; L268-F275 HydrophobicContact CB-CD1 3.72Å; L268-F275 HydrophobicContact CB-CE1 3.98Å; L268-F275 HydrophobicContact CD1-CB 3.99Å; L268-F275 HydrophobicContact CD1-CD1 3.69Å; L268-F275 HydrophobicContact CD1-CE1 4.31Å; L268-F275 HydrophobicContact CD1-CG 3.87Å; L268-F275 HydrophobicContact CG-CD1 4.3Å
269Y94.9Very high94.9Very high23 Ų2333.4 Ų33.49%0.0916%0.164CC..Hα-helixtrans-62.4-43.1173.8-84.8-63.8000112.3I265 D266 H271 H272 F275 W318 Y320 R335 R336 N417I265-Y269 HydrophobicContact CG2-CD2 3.84Å; I265-Y269 HydrophobicContact CG2-CE2 3.65Å; I265-Y269 VanDerWaalsContact O-CD2 3.3Å; I265-Y269 WeakPolarHBondContact O-CD2 3.43Å; I265-Y269 PolarHBondContact O-N 3.49Å; D266-Y269 PolarHBondContact O-N 3.13Å; Y269-H271 VanDerWaalsContact C-N 3.25Å; Y269-H271 PolarHBondContact O-N 2.76Å; Y269-H272 PolarHBondContact O-N 2.96Å; Y269-F275 HydrophobicContact CD2-CE1 4.27Å; Y269-F275 HydrophobicContact CD2-CZ 4.36Å; Y269-F275 HydrophobicContact CE1-CE1 4.43Å; Y269-F275 HydrophobicContact CE2-CE1 4.02Å; Y269-F275 AromaticContact CE2-CZ 3.72Å; Y269-F275 HydrophobicContact CE2-CZ 3.72Å; Y269-F275 AromaticContact CZ-CZ 3.82Å; Y269-W318 AromaticContact CD2-CD1 4Å; Y269-W318 HydrophobicContact CE2-CB 4.45Å; Y269-W318 AromaticContact CE2-CD1 3.71Å; Y269-W318 HydrophobicContact CE2-CG 4.11Å; Y269-Y320 HydrophobicContact CG-CD2 4.49Å; Y269-R335 HydrophobicContact CD1-CB 4.11Å; Y269-R335 HydrophobicContact CD1-CG 4.12Å; Y269-R335 HydrophobicContact CD2-CB 4.42Å; Y269-R335 HydrophobicContact CD2-CG 4.49Å; Y269-R335 HydrophobicContact CE1-CB 3.83Å; Y269-R335 HydrophobicContact CE1-CG 4.35Å; Y269-R335 HydrophobicContact CE2-CB 4.15Å; Y269-R335 HydrophobicContact CG-CB 4.41Å; Y269-R335 HydrophobicContact CG-CG 4.21Å; Y269-R336 PolarHBondContact OH-O 3.09Å; Y269-N417 HydrophobicContact CE1-CB 3.81Å; Y269-N417 WeakPolarHBondContact OH-CB 3.2Å
270R91.5Very high95Very high103 Ų10333.6 Ų33.639%0.38917%0.167SC..Hα-helixtrans-57.4-39.3178.9-179.8-178.1176.4154.12.8112.3D266 Q267 H272 Q322D266-R270 WeakPolarHBondContact O-CB 3.21Å; D266-R270 PolarHBondContact O-N 2.88Å; Q267-R270 WeakPolarHBondContact O-CB 3.47Å; Q267-R270 PolarHBondContact O-N 3.03Å; R270-H272 VanDerWaalsContact C-N 3.35Å; R270-Q322 VanDerWaalsContact CZ-NE2 3.25Å
271H89.6Confident94.9Very high60 Ų6032.9 Ų32.928%0.27817%0.166SC..THydrogen-bonded Turntrans-94.110.9179.6-71.4-88.2000113.4V240 Q267 L268 Y269 H273V240-H271 HydrophobicContact CG1-CB 3.88Å; Q267-H271 PolarHBondContact NE2-CD2 2.78Å; Q267-H271 PolarHBondContact NE2-NE2 2.84Å; Q267-H271 PolarHBondContact O-CD2 3.05Å; Q267-H271 PolarHBondContact O-N 3.44Å; Q267-H271 VanDerWaalsContact O-N 3.17Å; L268-H271 PolarHBondContact O-N 3.25Å; Y269-H271 VanDerWaalsContact C-N 3.25Å; Y269-H271 PolarHBondContact O-N 2.76Å; H271-H273 PolarHBondContact O-N 3.01Å
272H91.1Very high94.7Very high149 Ų14933.2 Ų33.269%0.6917%0.174SC*.THydrogen-bonded Turntrans56.528.7178.1-55.5-73.3000114.7L268 Y269 R270L268-H272 PolarHBondContact O-N 3.24Å; L268-H272 VanDerWaalsContact O-N 3.15Å; Y269-H272 PolarHBondContact O-N 2.96Å; R270-H272 VanDerWaalsContact C-N 3.35Å
273H92.7Very high94.7Very high4 Ų431.1 Ų31.12%0.01917%0.167CC..  trans-75.8146175-69.2-50.3000111.4V240 G249 V251 F253 L268 H271 N417V240-H273 WeakPolarHBondContact CG1-NE2 3.21Å; G249-H273 PolarHBondContact O-CE1 3.48Å; G249-H273 VanDerWaalsContact O-CE1 3.27Å; V251-H273 PolarHBondContact N-ND1 2.99Å; V251-H273 VanDerWaalsContact N-ND1 3.17Å; V251-H273 WeakPolarHBondContact O-CA 3.43Å; V251-H273 PolarHBondContact O-ND1 3Å; F253-H273 HydrophobicContact CD2-CB 4.12Å; F253-H273 HydrophobicContact CE2-CB 4.09Å; F253-H273 AromaticContact CE2-CD2 3.92Å; F253-H273 AromaticContact CE2-CG 3.77Å; L268-H273 HydrophobicContact CB-CB 4.39Å; L268-H273 HydrophobicContact CD2-CB 4.04Å; L268-H273 PolarHBondContact O-N 2.72Å; H271-H273 PolarHBondContact O-N 3.01Å; H273-N417 PolarHBondContact O-ND2 3.23Å
274K94.7Very high94.7Very high75 Ų7531.9 Ų31.933%0.32617%0.168SC..EExtended strand (participates in β ladder)trans-86.5151.3167-54.2-52.1-162.8174.50109.5V251 K252 F253 N417 E418V251-K274 PolarHBondContact O-N 2.91Å; K252-K274 CarbonylContact C-O 3.59Å; K252-K274 VanDerWaalsContact CA-O 3.3Å; K252-K274 WeakPolarHBondContact CA-O 3.35Å; K252-K274 HydrophobicContact CB-CB 3.97Å; K252-K274 HydrophobicContact CD-CB 4.36Å; K252-K274 HydrophobicContact CG-CB 3.84Å; K252-K274 HydrophobicContact CG-CG 4.17Å; F253-K274 PolarHBondContact N-O 2.97Å; K274-N417 WeakPolarHBondContact CA-OD1 3.3Å; K274-E418 HydrophobicContact CB-CB 4.29Å; K274-E418 HydrophobicContact CD-CB 4.09Å; K274-E418 HydrophobicContact CG-CB 4.28Å
275F95.9Very high94.7Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-152.3155.117959.2-99.6000113.6F253 I265 L268 Y269 V277 V415 S416 N417F253-F275 HydrophobicContact CB-CB 4.42Å; F253-F275 CarbonylContact O-C 3.59Å; F253-F275 WeakPolarHBondContact O-CA 3.3Å; I265-F275 HydrophobicContact CD1-CD2 4.4Å; I265-F275 HydrophobicContact CD1-CE2 4.01Å; I265-F275 HydrophobicContact CD1-CZ 4.27Å; I265-F275 HydrophobicContact CG2-CZ 3.88Å; L268-F275 HydrophobicContact CB-CD1 3.72Å; L268-F275 HydrophobicContact CB-CE1 3.98Å; L268-F275 HydrophobicContact CD1-CB 3.99Å; L268-F275 HydrophobicContact CD1-CD1 3.69Å; L268-F275 HydrophobicContact CD1-CE1 4.31Å; L268-F275 HydrophobicContact CD1-CG 3.87Å; L268-F275 HydrophobicContact CG-CD1 4.3Å; Y269-F275 HydrophobicContact CD2-CE1 4.27Å; Y269-F275 HydrophobicContact CD2-CZ 4.36Å; Y269-F275 HydrophobicContact CE1-CE1 4.43Å; Y269-F275 HydrophobicContact CE2-CE1 4.02Å; Y269-F275 AromaticContact CE2-CZ 3.72Å; Y269-F275 HydrophobicContact CE2-CZ 3.72Å; Y269-F275 AromaticContact CZ-CZ 3.82Å; F275-V277 HydrophobicContact CB-CG2 4.08Å; F275-V277 HydrophobicContact CD2-CG2 3.81Å; F275-V277 HydrophobicContact CG-CG2 4.23Å; F275-V415 HydrophobicContact CE2-CG2 4.22Å; F275-S416 WeakPolarHBondContact O-CA 3.44Å; F275-S416 WeakPolarHBondContact O-CB 3.29Å; F275-S416 PolarHBondContact O-OG 2.97Å; F275-N417 HydrophobicContact CD1-CB 4.41Å; F275-N417 HydrophobicContact CE1-CB 3.87Å; F275-N417 VanDerWaalsContact CE1-ND2 3.35Å; F275-N417 WeakPolarHBondContact CE1-ND2 3.34Å; F275-N417 HydrophobicContact CE2-CB 4.3Å; F275-N417 HydrophobicContact CZ-CB 3.81Å; F275-N417 PolarHBondContact N-OD1 2.94Å; F275-N417 PolarHBondContact O-N 2.86Å
276I97.3Very high94.7Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-127.1120.8158.3-64163.4000106.4Y175 F253 V254 M255 L414 V415 V419 T428 Y429Y175-I276 HydrophobicContact CD1-CD1 4.29Å; Y175-I276 HydrophobicContact CE1-CD1 3.76Å; Y175-I276 HydrophobicContact CE1-CG1 3.96Å; F253-I276 PolarHBondContact O-N 2.92Å; V254-I276 WeakPolarHBondContact CA-O 3.46Å; M255-I276 PolarHBondContact N-O 3.43Å; I276-L414 HydrophobicContact CG2-CB 4.38Å; I276-L414 HydrophobicContact CG2-CD1 4.13Å; I276-V415 CarbonylContact C-O 3.52Å; I276-V415 WeakPolarHBondContact CA-O 3.39Å; I276-V419 HydrophobicContact CD1-CB 4.49Å; I276-V419 HydrophobicContact CD1-CG2 3.99Å; I276-T428 HydrophobicContact CD1-CG2 3.6Å; I276-Y429 HydrophobicContact CG2-CD2 4.41Å
277V97.4Very high94.7Very high1 Ų139 Ų391%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-129.3129.4-176.8-173.70000109.5M255 Y260 I265 F275 L414 V415M255-V277 HydrophobicContact CB-CG1 4.3Å; M255-V277 HydrophobicContact CB-CG2 4.28Å; M255-V277 HydrophobicContact CE-CG2 3.6Å; M255-V277 WeakPolarHBondContact O-CA 3.49Å; Y260-V277 HydrophobicContact CD2-CG1 4.35Å; I265-V277 HydrophobicContact CD1-CB 4.41Å; I265-V277 HydrophobicContact CD1-CG2 4.08Å; F275-V277 HydrophobicContact CB-CG2 4.08Å; F275-V277 HydrophobicContact CD2-CG2 3.81Å; F275-V277 HydrophobicContact CG-CG2 4.23Å; V277-L414 CarbonylContact O-C 3.51Å; V277-L414 WeakPolarHBondContact O-CA 3.33Å; V277-V415 HydrophobicContact CB-CG2 4.02Å; V277-V415 PolarHBondContact N-O 3.27Å; V277-V415 PolarHBondContact O-N 3.35Å
278A97.4Very high94.9Very high9 Ų944.6 Ų44.67%0.07422%0.218CC..EExtended strand (participates in β ladder)trans-69.8139.3170.100000110.8M255 R257 L414 Y429M255-A278 PolarHBondContact O-N 3.45Å; R257-A278 WeakPolarHBondContact CA-O 3.49Å; R257-A278 HydrophobicContact CB-CB 4.18Å; A278-L414 HydrophobicContact CB-CD2 3.65Å; A278-Y429 HydrophobicContact CB-CE1 4.5Å; A278-Y429 HydrophobicContact CB-CE2 3.81Å
279V97.6Very high94.9Very high5 Ų546.3 Ų46.33%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-127.3156.7-176.6-58.40000111.4Y260 L283 V286 A413 V415Y260-V279 HydrophobicContact CD2-CB 4.34Å; Y260-V279 HydrophobicContact CD2-CG1 3.42Å; Y260-V279 VanDerWaalsContact CD2-CG1 3.42Å; Y260-V279 HydrophobicContact CE2-CB 4.45Å; Y260-V279 HydrophobicContact CE2-CG1 3.61Å; Y260-V279 HydrophobicContact CG-CG1 4.01Å; V279-L283 HydrophobicContact CB-CD1 3.81Å; V279-L283 HydrophobicContact CG2-CD1 4.4Å; V279-V286 HydrophobicContact CG2-CG2 3.76Å; V279-A413 HydrophobicContact CG2-CB 3.71Å; V279-A413 PolarHBondContact N-O 3.2Å; V279-V415 HydrophobicContact CG1-CB 4.27Å; V279-V415 HydrophobicContact CG1-CG1 3.77Å; V279-V415 HydrophobicContact CG1-CG2 3.6Å; V279-V415 HydrophobicContact CG2-CG1 4.01Å
280G96.1Very high95Very high5 Ų545.2 Ų45.25%0.05222%0.22CC..  trans-73.9136.7179.300000112.3R257 G282 L283R257-G280 VanDerWaalsContact CZ-CA 3.46Å; G280-G282 PolarHBondContact O-N 2.8Å; G280-L283 WeakPolarHBondContact O-CD1 3.43Å; G280-L283 WeakPolarHBondContact O-CG 3.22Å; G280-L283 PolarHBondContact O-N 2.93Å
281T95.1Very high95.2Very high24 Ų2443.5 Ų43.515%0.14723%0.228CC..THydrogen-bonded Turntrans-61.9-22.2173.850.40000113.2L283 R287 I290 F411T281-L283 VanDerWaalsContact C-N 3.28Å; T281-L283 PolarHBondContact O-N 2.79Å; T281-R287 WeakPolarHBondContact O-CG 3.45Å; T281-I290 HydrophobicContact CG2-CD1 4.03Å; T281-F411 HydrophobicContact CG2-CB 4.11Å; T281-F411 WeakPolarHBondContact CG2-O 3.27Å
282G92.7Very high95.5Very high34 Ų3444.6 Ų44.635%0.35123%0.233SC..THydrogen-bonded Turntrans-76.9-1.7176.200000115.6G280 R287G280-G282 PolarHBondContact O-N 2.8Å; G282-R287 PolarHBondContact O-NH1 3.31Å; G282-R287 PolarHBondContact O-NH2 3.38Å
283L95.1Very high95.7Very high47 Ų4737.8 Ų37.825%0.24620%0.202CC..SBendtrans-72.7140.5175.5-64.4167.3000110.2Y260 V279 G280 T281 F285 V286 R287Y260-L283 HydrophobicContact CD1-CD1 4.17Å; Y260-L283 HydrophobicContact CE1-CD1 3.43Å; Y260-L283 VanDerWaalsContact CE1-CD1 3.43Å; Y260-L283 HydrophobicContact CE1-CD2 3.86Å; Y260-L283 HydrophobicContact CE1-CG 4.28Å; Y260-L283 HydrophobicContact CE2-CD1 4.42Å; V279-L283 HydrophobicContact CB-CD1 3.81Å; V279-L283 HydrophobicContact CG2-CD1 4.4Å; G280-L283 WeakPolarHBondContact O-CD1 3.43Å; G280-L283 WeakPolarHBondContact O-CG 3.22Å; G280-L283 PolarHBondContact O-N 2.93Å; T281-L283 VanDerWaalsContact C-N 3.28Å; T281-L283 PolarHBondContact O-N 2.79Å; L283-F285 HydrophobicContact CB-CD1 4.03Å; L283-F285 HydrophobicContact CB-CE1 3.66Å; L283-F285 HydrophobicContact CB-CZ 4.14Å; L283-F285 HydrophobicContact CD1-CE1 3.75Å; L283-F285 HydrophobicContact CD1-CZ 3.65Å; L283-F285 HydrophobicContact CG-CE1 4.17Å; L283-F285 HydrophobicContact CG-CZ 4.49Å; L283-F285 PolarHBondContact O-N 2.64Å; L283-V286 HydrophobicContact CB-CB 4.23Å; L283-V286 HydrophobicContact CB-CG2 3.87Å; L283-V286 HydrophobicContact CD1-CG2 4.25Å; L283-V286 PolarHBondContact O-N 3.06Å; L283-R287 PolarHBondContact O-N 2.95Å
284S94.8Very high95.7Very high86 Ų8640 Ų4060%0.60121%0.21SC*.Hα-helixtrans-55.3-46.9-174.352.60000113.2V286 R287 K288S284-V286 VanDerWaalsContact C-N 3.32Å; S284-V286 PolarHBondContact O-N 3Å; S284-R287 PolarHBondContact O-N 2.92Å; S284-K288 WeakPolarHBondContact O-CB 3.32Å; S284-K288 PolarHBondContact O-N 3.17Å
285F94.9Very high95.5Very high43 Ų4342.9 Ų42.919%0.18923%0.225CC..Hα-helixtrans-67-31.617967-88.6000112.8L283 R289 M316 W318 M337 L339 V415L283-F285 HydrophobicContact CB-CD1 4.03Å; L283-F285 HydrophobicContact CB-CE1 3.66Å; L283-F285 HydrophobicContact CB-CZ 4.14Å; L283-F285 HydrophobicContact CD1-CE1 3.75Å; L283-F285 HydrophobicContact CD1-CZ 3.65Å; L283-F285 HydrophobicContact CG-CE1 4.17Å; L283-F285 HydrophobicContact CG-CZ 4.49Å; L283-F285 PolarHBondContact O-N 2.64Å; F285-R289 PolarHBondContact O-N 3.48Å; F285-M316 HydrophobicContact CB-CE 4.14Å; F285-M316 HydrophobicContact CD2-CE 3.9Å; F285-M316 HydrophobicContact CD2-SD 3.83Å; F285-M316 HydrophobicContact CE2-SD 4.33Å; F285-M316 HydrophobicContact CG-CE 4.11Å; F285-W318 HydrophobicContact CE1-CZ3 4.22Å; F285-W318 HydrophobicContact CZ-CZ3 4.28Å; F285-M337 HydrophobicContact CE2-CE 4.44Å; F285-L339 HydrophobicContact CD2-CD2 4.19Å; F285-L339 HydrophobicContact CE2-CD1 4.29Å; F285-V415 HydrophobicContact CE2-CG1 4.16Å
286V96.9Very high95.5Very high0 Ų045.2 Ų45.20%024%0.241CC..Hα-helixtrans-74.1-47.8175.6-176.10000110.4V279 L283 S284 K288 R289 I290 L339 A413V279-V286 HydrophobicContact CG2-CG2 3.76Å; L283-V286 HydrophobicContact CB-CB 4.23Å; L283-V286 HydrophobicContact CB-CG2 3.87Å; L283-V286 HydrophobicContact CD1-CG2 4.25Å; L283-V286 PolarHBondContact O-N 3.06Å; S284-V286 VanDerWaalsContact C-N 3.32Å; S284-V286 PolarHBondContact O-N 3Å; V286-K288 VanDerWaalsContact C-N 3.29Å; V286-K288 PolarHBondContact O-N 2.85Å; V286-R289 PolarHBondContact O-N 3.35Å; V286-R289 VanDerWaalsContact O-N 3.11Å; V286-I290 HydrophobicContact CG1-CD1 3.8Å; V286-I290 HydrophobicContact CG1-CG1 4.3Å; V286-I290 WeakPolarHBondContact O-CG1 3.39Å; V286-I290 PolarHBondContact O-N 3.5Å; V286-L339 HydrophobicContact CG2-CD1 4.11Å; V286-A413 HydrophobicContact CG1-CB 3.67Å; V286-A413 HydrophobicContact CG2-CB 4.49Å
287R95.7Very high95.3Very high129 Ų12945.2 Ų45.249%0.48724%0.241SC..Hα-helixtrans-56.9-43.1175.7-73.3-165.4-66.5-124.5-5.6112T281 G282 L283 S284 R289 I290 A291 L408T281-R287 WeakPolarHBondContact O-CG 3.45Å; G282-R287 PolarHBondContact O-NH1 3.31Å; G282-R287 PolarHBondContact O-NH2 3.38Å; L283-R287 PolarHBondContact O-N 2.95Å; S284-R287 PolarHBondContact O-N 2.92Å; R287-R289 VanDerWaalsContact C-N 3.34Å; R287-R289 PolarHBondContact O-N 2.89Å; R287-I290 PolarHBondContact O-N 3.05Å; R287-A291 WeakPolarHBondContact O-CB 3.43Å; R287-A291 PolarHBondContact O-N 2.69Å; R287-L408 HydrophobicContact CG-CD2 4.35Å
288K95.9Very high95Very high139 Ų13951.8 Ų51.860%0.60427%0.266SS*.Hα-helixtrans-58.1-48175.8-176.5178.3178.2177.80110.6S284 V286 A291 E292S284-K288 WeakPolarHBondContact O-CB 3.32Å; S284-K288 PolarHBondContact O-N 3.17Å; V286-K288 VanDerWaalsContact C-N 3.29Å; V286-K288 PolarHBondContact O-N 2.85Å; K288-A291 PolarHBondContact O-N 3.42Å; K288-E292 WeakPolarHBondContact CE-OE1 2.93Å; K288-E292 WeakPolarHBondContact O-CG 3.46Å; K288-E292 PolarHBondContact O-N 3.4Å; K288-E292 VanDerWaalsContact O-N 3.09Å
289R96.1Very high94.8Very high37 Ų3756.1 Ų56.114%0.1429%0.288CS..Hα-helixtrans-65.8-43.3178.6-173.552.9173.4172.43.6112.4F285 V286 R287 A291 E292 V293 D312 L339 V341F285-R289 PolarHBondContact O-N 3.48Å; V286-R289 PolarHBondContact O-N 3.35Å; V286-R289 VanDerWaalsContact O-N 3.11Å; R287-R289 VanDerWaalsContact C-N 3.34Å; R287-R289 PolarHBondContact O-N 2.89Å; R289-A291 VanDerWaalsContact C-N 3.29Å; R289-A291 PolarHBondContact O-N 2.86Å; R289-E292 WeakPolarHBondContact CD-OE2 3.45Å; R289-E292 IonicContact CZ-OE2 3.44Å; R289-E292 IonicContact NH1-OE2 2.72Å; R289-E292 PolarHBondContact NH1-OE2 2.91Å; R289-E292 WeakPolarHBondContact O-CB 3.47Å; R289-E292 PolarHBondContact O-N 3.11Å; R289-E292 VanDerWaalsContact O-N 3.13Å; R289-V293 WeakPolarHBondContact O-CG2 3.46Å; R289-V293 PolarHBondContact O-N 2.86Å; R289-V293 VanDerWaalsContact O-N 3.13Å; R289-D312 IonicContact CZ-OD1 2.78Å; R289-D312 IonicContact CZ-OD2 2.9Å; R289-D312 IonicContact NE-OD2 2.73Å; R289-D312 PolarHBondContact NE-OD2 3.17Å; R289-D312 IonicContact NH2-OD1 2.92Å; R289-D312 PolarHBondContact NH2-OD1 3.42Å; R289-D312 IonicContact NH2-OD2 3.24Å; R289-D312 PolarHBondContact NH2-OD2 3.33Å; R289-L339 HydrophobicContact CB-CD2 3.58Å; R289-L339 HydrophobicContact CG-CD2 3.93Å; R289-V341 HydrophobicContact CB-CG2 4.16Å; R289-V341 HydrophobicContact CG-CG2 3.68Å
290I96.6Very high94.4Very high0 Ų065.7 Ų65.70%033%0.325CS..Hα-helixtrans-56.4-45.6175.4-71.1170.2000110.4T281 V286 R287 E292 V293 R294 V341 L408 F411T281-I290 HydrophobicContact CG2-CD1 4.03Å; V286-I290 HydrophobicContact CG1-CD1 3.8Å; V286-I290 HydrophobicContact CG1-CG1 4.3Å; V286-I290 WeakPolarHBondContact O-CG1 3.39Å; V286-I290 PolarHBondContact O-N 3.5Å; R287-I290 PolarHBondContact O-N 3.05Å; I290-E292 VanDerWaalsContact C-N 3.32Å; I290-E292 PolarHBondContact O-N 3.48Å; I290-V293 PolarHBondContact O-N 3.47Å; I290-R294 WeakPolarHBondContact O-CA 3.41Å; I290-R294 WeakPolarHBondContact O-CB 3.38Å; I290-R294 PolarHBondContact O-N 3.43Å; I290-V341 HydrophobicContact CG1-CG1 3.8Å; I290-L408 HydrophobicContact CD1-CD2 4.11Å; I290-L408 HydrophobicContact CG2-CD2 4.32Å; I290-F411 HydrophobicContact CD1-CB 3.8Å; I290-F411 HydrophobicContact CD1-CD1 4.3Å; I290-F411 HydrophobicContact CD1-CG 4.08Å; I290-F411 HydrophobicContact CG1-CB 4.39Å; I290-F411 HydrophobicContact CG1-CD1 3.95Å; I290-F411 HydrophobicContact CG1-CG 4.21Å; I290-F411 HydrophobicContact CG2-CD1 3.96Å; I290-F411 HydrophobicContact CG2-CD2 3.94Å; I290-F411 HydrophobicContact CG2-CE1 3.95Å; I290-F411 HydrophobicContact CG2-CE2 3.96Å; I290-F411 HydrophobicContact CG2-CG 3.95Å; I290-F411 HydrophobicContact CG2-CZ 3.96Å
291A94.9Very high94Very high66 Ų6669.3 Ų69.355%0.54536%0.362SS..Hα-helixtrans-63-36.6177.900000112.9R287 K288 R289 V293R287-A291 WeakPolarHBondContact O-CB 3.43Å; R287-A291 PolarHBondContact O-N 2.69Å; K288-A291 PolarHBondContact O-N 3.42Å; R289-A291 VanDerWaalsContact C-N 3.29Å; R289-A291 PolarHBondContact O-N 2.86Å; A291-V293 VanDerWaalsContact C-N 3.35Å
292E95.8Very high93.7Very high84 Ų8469.5 Ų69.539%0.39337%0.365SS..Hα-helixtrans-65.9-33.6176.5-71.3169.4-169.600112.8K288 R289 I290 K314K288-E292 WeakPolarHBondContact CE-OE1 2.93Å; K288-E292 WeakPolarHBondContact O-CG 3.46Å; K288-E292 PolarHBondContact O-N 3.4Å; K288-E292 VanDerWaalsContact O-N 3.09Å; R289-E292 WeakPolarHBondContact CD-OE2 3.45Å; R289-E292 IonicContact CZ-OE2 3.44Å; R289-E292 IonicContact NH1-OE2 2.72Å; R289-E292 PolarHBondContact NH1-OE2 2.91Å; R289-E292 WeakPolarHBondContact O-CB 3.47Å; R289-E292 PolarHBondContact O-N 3.11Å; R289-E292 VanDerWaalsContact O-N 3.13Å; I290-E292 VanDerWaalsContact C-N 3.32Å; I290-E292 PolarHBondContact O-N 3.48Å; E292-K314 IonicContact OE1-NZ 3.14Å; E292-K314 PolarHBondContact OE1-NZ 3.33Å; E292-K314 IonicContact OE2-NZ 3.25Å; E292-K314 PolarHBondContact OE2-NZ 2.98Å
293V95.6Very high93.6Very high5 Ų572 Ų723%0.0337%0.367CS..Hα-helixtrans-113.7-0.1-170.2-52.60000114.5R289 I290 A291 E295 S296 I297 D312 V341R289-V293 WeakPolarHBondContact O-CG2 3.46Å; R289-V293 PolarHBondContact O-N 2.86Å; R289-V293 VanDerWaalsContact O-N 3.13Å; I290-V293 PolarHBondContact O-N 3.47Å; A291-V293 VanDerWaalsContact C-N 3.35Å; V293-E295 VanDerWaalsContact C-N 3.28Å; V293-E295 PolarHBondContact O-N 3Å; V293-S296 PolarHBondContact O-N 3.14Å; V293-S296 PolarHBondContact O-OG 3.32Å; V293-I297 HydrophobicContact CB-CB 4.49Å; V293-I297 HydrophobicContact CG2-CB 4.31Å; V293-I297 HydrophobicContact CG2-CD1 4.17Å; V293-I297 WeakPolarHBondContact O-CB 3.3Å; V293-I297 VanDerWaalsContact O-CG2 3.28Å; V293-I297 WeakPolarHBondContact O-CG2 3.38Å; V293-I297 PolarHBondContact O-N 3.02Å; V293-D312 HydrophobicContact CG1-CB 4.43Å; V293-D312 HydrophobicContact CG2-CB 4.42Å; V293-V341 HydrophobicContact CG2-CG1 4.36Å
294R93.2Very high93.4Very high51 Ų5170.5 Ų70.519%0.19236%0.359CS..THydrogen-bonded Turntrans-52.9-43.6-170.4175.6178.3-68.8138.38.6113.6I290 I297 Q407 F411I290-R294 WeakPolarHBondContact O-CA 3.41Å; I290-R294 WeakPolarHBondContact O-CB 3.38Å; I290-R294 PolarHBondContact O-N 3.43Å; R294-I297 WeakPolarHBondContact O-CG2 3.41Å; R294-Q407 PolarHBondContact NE-O 2.88Å; R294-Q407 VanDerWaalsContact NE-OE1 3.15Å; R294-Q407 PolarHBondContact NH2-O 2.81Å; R294-F411 HydrophobicContact CB-CZ 4.31Å; R294-F411 HydrophobicContact CG-CE2 4.42Å; R294-F411 HydrophobicContact CG-CZ 4.13Å
295E91.3Very high93.1Very high135 Ų13571.1 Ų71.163%0.63136%0.364SS*.THydrogen-bonded Turntrans-77.3-51.2-179.6-56.7-50.912800110V293 I297 R298V293-E295 VanDerWaalsContact C-N 3.28Å; V293-E295 PolarHBondContact O-N 3Å; E295-I297 VanDerWaalsContact C-N 3.35Å; E295-I297 PolarHBondContact O-N 3.32Å; E295-R298 PolarHBondContact O-N 3.04Å
296S94.4Very high92.8Very high50 Ų5077.7 Ų77.735%0.3539%0.387SS..G310 helixtrans-68.7-27.4-174.363.60000114.4V293 R298 D299 S302V293-S296 PolarHBondContact O-N 3.14Å; V293-S296 PolarHBondContact O-OG 3.32Å; S296-R298 PolarHBondContact O-N 2.76Å; S296-D299 WeakPolarHBondContact CA-OD2 3.24Å; S296-D299 VanDerWaalsContact O-CB 3.26Å; S296-D299 WeakPolarHBondContact O-CB 3.25Å; S296-D299 PolarHBondContact O-N 3.12Å; S296-S302 PolarHBondContact O-OG 3.13Å
297I94.2Very high92.3Very high0 Ų081.2 Ų81.20%040%0.401CS..G310 helixtrans-67-16.7-179.8-160.2168.1000112.5V293 R294 E295 G310 D312 V341 Y343 F411V293-I297 HydrophobicContact CB-CB 4.49Å; V293-I297 HydrophobicContact CG2-CB 4.31Å; V293-I297 HydrophobicContact CG2-CD1 4.17Å; V293-I297 WeakPolarHBondContact O-CB 3.3Å; V293-I297 VanDerWaalsContact O-CG2 3.28Å; V293-I297 WeakPolarHBondContact O-CG2 3.38Å; V293-I297 PolarHBondContact O-N 3.02Å; R294-I297 WeakPolarHBondContact O-CG2 3.41Å; E295-I297 VanDerWaalsContact C-N 3.35Å; E295-I297 PolarHBondContact O-N 3.32Å; I297-G310 WeakPolarHBondContact O-CA 3.22Å; I297-D312 HydrophobicContact CD1-CB 4.24Å; I297-V341 HydrophobicContact CD1-CG1 4.06Å; I297-Y343 HydrophobicContact CG2-CG 4.39Å; I297-F411 HydrophobicContact CD1-CE1 4.29Å; I297-F411 HydrophobicContact CG2-CE1 3.96Å; I297-F411 HydrophobicContact CG2-CZ 4.17Å
298R91.2Very high92.1Very high139 Ų13977.1 Ų77.153%0.52540%0.399SS..G310 helixtrans-88.9-11.9175.6-63.6178.2172.5-178.1-2.1112.4E295 S296 Y343E295-R298 PolarHBondContact O-N 3.04Å; S296-R298 PolarHBondContact O-N 2.76Å; R298-Y343 HydrophobicContact CG-CD1 3.98Å; R298-Y343 HydrophobicContact CG-CE1 3.92Å; R298-Y343 PolarHBondContact NE-OH 3.06Å; R298-Y343 PolarHBondContact NH2-OH 3.21Å
299D92.1Very high92.1Very high99 Ų9970.7 Ų70.753%0.52937%0.371SS..SBendtrans-67149.3176.1-62.2-25.9000110.2S296 G301 S302S296-D299 WeakPolarHBondContact CA-OD2 3.24Å; S296-D299 VanDerWaalsContact O-CB 3.26Å; S296-D299 WeakPolarHBondContact O-CB 3.25Å; S296-D299 PolarHBondContact O-N 3.12Å; D299-G301 PolarHBondContact O-N 3.05Å; D299-G301 VanDerWaalsContact O-N 3.08Å; D299-S302 PolarHBondContact O-N 2.94Å
300Y88.9Confident92.1Very high207 Ų20769.3 Ų69.381%0.81237%0.369SS*.G310 helixtrans-56.7-29.9-179.4-172.8-97.7000112.9S302 H303Y300-S302 PolarHBondContact O-N 3.41Å; Y300-H303 VanDerWaalsContact O-CB 3.29Å; Y300-H303 WeakPolarHBondContact O-CB 3.35Å; Y300-H303 PolarHBondContact O-N 2.96Å; Y300-H303 VanDerWaalsContact O-N 3.11Å
301G89.1Confident92Very high81 Ų8170.2 Ų70.284%0.83538%0.375SS*.G310 helixtrans-65-22.5177.300000114.7D299D299-G301 PolarHBondContact O-N 3.05Å; D299-G301 VanDerWaalsContact O-N 3.08Å
302S89.3Confident92.1Very high28 Ų2868.6 Ų68.620%0.19636%0.357CS..G310 helixtrans-94.6-4.3175.4-74.50000113S296 D299 Y300 G310 C311S296-S302 PolarHBondContact O-OG 3.13Å; D299-S302 PolarHBondContact O-N 2.94Å; Y300-S302 PolarHBondContact O-N 3.41Å; S302-G310 CarbonylContact O-C 3.5Å; S302-G310 WeakPolarHBondContact O-CA 3.49Å; S302-C311 PolarHBondContact O-N 3.43Å; S302-C311 PolarHBondContact O-SG 2.93Å
303H90.1Very high92.2Very high85 Ų8566.3 Ų66.339%0.39435%0.35SS..EExtended strand (participates in β ladder)trans-78.2129.4-176.1-178.269.6000111.8Y300 I309Y300-H303 VanDerWaalsContact O-CB 3.29Å; Y300-H303 WeakPolarHBondContact O-CB 3.35Å; Y300-H303 PolarHBondContact O-N 2.96Å; Y300-H303 VanDerWaalsContact O-N 3.11Å; H303-I309 WeakPolarHBondContact CA-O 3.48Å
304D91.3Very high92.2Very high17 Ų1769.7 Ų69.79%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-106.7118163.6177-85.9000109.5R306 Y307 G308 I309 I423D304-R306 VanDerWaalsContact C-N 3.3Å; D304-R306 PolarHBondContact O-N 3.17Å; D304-R306 WeakPolarHBondContact OD1-CA 3.45Å; D304-R306 VanDerWaalsContact OD1-CB 3.28Å; D304-R306 WeakPolarHBondContact OD1-CB 3.31Å; D304-R306 PolarHBondContact OD1-N 3.26Å; D304-R306 VanDerWaalsContact OD1-N 3.08Å; D304-R306 IonicContact OD1-NE 3.25Å; D304-R306 IonicContact OD2-CZ 2.75Å; D304-R306 IonicContact OD2-NE 3.78Å; D304-R306 PolarHBondContact OD2-NE 2.65Å; D304-R306 VanDerWaalsContact OD2-NE 3.09Å; D304-R306 IonicContact OD2-NH2 2.8Å; D304-R306 PolarHBondContact OD2-NH2 3.12Å; D304-Y307 PolarHBondContact O-N 2.96Å; D304-Y307 PolarHBondContact OD1-N 3.41Å; D304-G308 WeakPolarHBondContact O-CA 3.32Å; D304-G308 PolarHBondContact O-N 3.17Å; D304-I309 PolarHBondContact N-O 2.96Å; D304-I309 PolarHBondContact O-N 3.03Å; D304-I423 HydrophobicContact CB-CD1 3.41Å; D304-I423 VanDerWaalsContact CB-CD1 3.41Å; D304-I423 HydrophobicContact CB-CG1 4.06Å
305S88.5Confident92.4Very high99 Ų9970.7 Ų70.769%0.69238%0.376SS*.THydrogen-bonded Turntrans-70.5-24.2-176.857.60000113.3Y307S305-Y307 VanDerWaalsContact C-N 3.32Å
306R87.1Confident92.7Very high180 Ų18066 Ų6668%0.67936%0.355SS*.THydrogen-bonded Turntrans-68.4-35.6179.3-61.1174.6-75.7-173-12.8111.3D304D304-R306 VanDerWaalsContact C-N 3.3Å; D304-R306 PolarHBondContact O-N 3.17Å; D304-R306 WeakPolarHBondContact OD1-CA 3.45Å; D304-R306 VanDerWaalsContact OD1-CB 3.28Å; D304-R306 WeakPolarHBondContact OD1-CB 3.31Å; D304-R306 PolarHBondContact OD1-N 3.26Å; D304-R306 VanDerWaalsContact OD1-N 3.08Å; D304-R306 IonicContact OD1-NE 3.25Å; D304-R306 IonicContact OD2-CZ 2.75Å; D304-R306 IonicContact OD2-NE 3.78Å; D304-R306 PolarHBondContact OD2-NE 2.65Å; D304-R306 VanDerWaalsContact OD2-NE 3.09Å; D304-R306 IonicContact OD2-NH2 2.8Å; D304-R306 PolarHBondContact OD2-NH2 3.12Å
307Y88.1Confident92.7Very high74 Ų7470.7 Ų70.729%0.2937%0.371SS..THydrogen-bonded Turntrans-107.9-9.4-179.5-66.4-54.8000114.8D304 S305 I309 I423 L426 G427D304-Y307 PolarHBondContact O-N 2.96Å; D304-Y307 PolarHBondContact OD1-N 3.41Å; S305-Y307 VanDerWaalsContact C-N 3.32Å; Y307-I309 VanDerWaalsContact C-N 3.35Å; Y307-I423 HydrophobicContact CD2-CG2 3.87Å; Y307-I423 HydrophobicContact CE2-CG2 3.62Å; Y307-L426 HydrophobicContact CD2-CD2 3.72Å; Y307-L426 HydrophobicContact CD2-CG 4.35Å; Y307-L426 HydrophobicContact CE2-CD2 4.21Å; Y307-L426 HydrophobicContact CE2-CG 4.37Å; Y307-L426 HydrophobicContact CG-CD2 3.92Å; Y307-G427 WeakPolarHBondContact OH-CA 3.09Å
308G91.5Very high92.9Very high44 Ų4471.6 Ų71.645%0.45437%0.374SS..THydrogen-bonded Turntrans66.336.5179.600000112.7D304D304-G308 WeakPolarHBondContact O-CA 3.32Å; D304-G308 PolarHBondContact O-N 3.17Å
309I93.9Very high93.1Very high4 Ų472.1 Ų72.12%0.02138%0.383CS..EExtended strand (participates in β ladder)trans-132.9156.5-173.663-178.8000111.6H303 D304 Y307 Y342 Y343 F412 L426H303-I309 WeakPolarHBondContact CA-O 3.48Å; D304-I309 PolarHBondContact N-O 2.96Å; D304-I309 PolarHBondContact O-N 3.03Å; Y307-I309 VanDerWaalsContact C-N 3.35Å; I309-Y342 HydrophobicContact CD1-CD1 3.6Å; I309-Y342 HydrophobicContact CD1-CE1 4.35Å; I309-Y342 HydrophobicContact CD1-CG 4.31Å; I309-Y343 WeakPolarHBondContact CA-O 3.43Å; I309-Y343 WeakPolarHBondContact CB-O 3.33Å; I309-F412 HydrophobicContact CD1-CZ 4.39Å; I309-L426 HydrophobicContact CD1-CD2 3.09Å; I309-L426 HydrophobicContact CG1-CD2 4.48Å
310G96Very high93.3Very high8 Ų867.8 Ų67.88%0.08236%0.359CS..EExtended strand (participates in β ladder)trans-81.7141.116000000110.1I297 S302 Y342 Y343I297-G310 WeakPolarHBondContact O-CA 3.22Å; S302-G310 CarbonylContact O-C 3.5Å; S302-G310 WeakPolarHBondContact O-CA 3.49Å; G310-Y342 CarbonylContact O-C 3.56Å; G310-Y342 VanDerWaalsContact O-CA 3.24Å; G310-Y342 WeakPolarHBondContact O-CA 3.47Å; G310-Y343 PolarHBondContact N-O 3.15Å; G310-Y343 PolarHBondContact O-N 3.2Å
311C96.5Very high93.6Very high19 Ų1960.4 Ų60.413%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-136149.8178.473.30000112S302 V341 Y342 P422 I423S302-C311 PolarHBondContact O-N 3.43Å; S302-C311 PolarHBondContact O-SG 2.93Å; C311-V341 WeakPolarHBondContact CA-O 3.5Å; C311-Y342 HydrophobicContact CB-CD1 3.8Å; C311-Y342 HydrophobicContact CB-CE1 4.09Å; C311-P422 HydrophobicContact CB-CB 4.25Å; C311-P422 HydrophobicContact CB-CG 4.34Å; C311-I423 HydrophobicContact CB-CD1 4.03Å
312D96.5Very high93.8Very high32 Ų3258.1 Ų58.117%0.17130%0.303CS..EExtended strand (participates in β ladder)trans-150.1150173.5172.578.8000109.7R289 V293 I297 H340 V341R289-D312 IonicContact CZ-OD1 2.78Å; R289-D312 IonicContact CZ-OD2 2.9Å; R289-D312 IonicContact NE-OD2 2.73Å; R289-D312 PolarHBondContact NE-OD2 3.17Å; R289-D312 IonicContact NH2-OD1 2.92Å; R289-D312 PolarHBondContact NH2-OD1 3.42Å; R289-D312 IonicContact NH2-OD2 3.24Å; R289-D312 PolarHBondContact NH2-OD2 3.33Å; V293-D312 HydrophobicContact CG1-CB 4.43Å; V293-D312 HydrophobicContact CG2-CB 4.42Å; I297-D312 HydrophobicContact CD1-CB 4.24Å; D312-H340 CarbonylContact O-C 3.52Å; D312-H340 WeakPolarHBondContact O-CA 3.18Å; D312-V341 PolarHBondContact N-O 2.93Å; D312-V341 PolarHBondContact O-N 3.07Å
313S96.8Very high93.9Very high35 Ų3563.7 Ų63.725%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-135.4137.4179176.40000111.2L339 H340 K420S313-L339 CarbonylContact C-O 3.55Å; S313-L339 WeakPolarHBondContact CA-O 3.33Å; S313-H340 WeakPolarHBondContact CB-ND1 3.37Å; S313-H340 PolarHBondContact OG-CE1 2.91Å; S313-H340 PolarHBondContact OG-ND1 2.78Å; S313-K420 PolarHBondContact OG-O 3.22Å; S313-K420 VanDerWaalsContact OG-O 3.06Å
314K96.9Very high93.8Very high76 Ų7661.7 Ų61.733%0.3332%0.315SS..EExtended strand (participates in β ladder)trans-129.3132.2175.8-172172.2-171.9171.80110.6E292 L339E292-K314 IonicContact OE1-NZ 3.14Å; E292-K314 PolarHBondContact OE1-NZ 3.33Å; E292-K314 IonicContact OE2-NZ 3.25Å; E292-K314 PolarHBondContact OE2-NZ 2.98Å; K314-L339 PolarHBondContact N-O 2.74Å; K314-L339 PolarHBondContact O-N 3.09Å
315T97.7Very high93.7Very high72 Ų7265.9 Ų65.944%0.44234%0.343SS..EExtended strand (participates in β ladder)trans-76.1127.9165.1-55.40000108.5R336 Y338T315-R336 HydrophobicContact CG2-CG 3.81Å; T315-Y338 HydrophobicContact CG2-CD1 4.27Å; T315-Y338 HydrophobicContact CG2-CE1 4.02Å; T315-Y338 WeakPolarHBondContact OG1-CD1 3.38Å; T315-Y338 WeakPolarHBondContact OG1-CE1 3.49Å
316M96.1Very high93.8Very high37 Ų3769.3 Ų69.318%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-131.7159.7179.266.6174-72.300111.6F285 M337 L339F285-M316 HydrophobicContact CB-CE 4.14Å; F285-M316 HydrophobicContact CD2-CE 3.9Å; F285-M316 HydrophobicContact CD2-SD 3.83Å; F285-M316 HydrophobicContact CE2-SD 4.33Å; F285-M316 HydrophobicContact CG-CE 4.11Å; M316-M337 HydrophobicContact CE-CE 3.82Å; M316-M337 HydrophobicContact CG-CB 4.11Å; M316-M337 HydrophobicContact CG-CE 4.06Å; M316-M337 PolarHBondContact N-O 3.07Å; M316-M337 PolarHBondContact O-N 2.88Å; M316-M337 VanDerWaalsContact O-O 3.07Å; M316-M337 HydrophobicContact SD-CE 3.46Å; M316-M337 WeakPolarHBondContact SD-CE 3.41Å; M316-L339 HydrophobicContact CG-CB 4.48Å; M316-L339 HydrophobicContact SD-CB 3.93Å; M316-L339 HydrophobicContact SD-CD2 4.43Å
317E95.6Very high94Very high148 Ų14866.3 Ų66.369%0.69233%0.334SS*.EExtended strand (participates in β ladder)trans-91121.9170.6-69.6-161.6-172.100109.7S334E317-S334 VanDerWaalsContact CB-OG 3.28Å; E317-S334 WeakPolarHBondContact CB-OG 3.42Å; E317-S334 WeakPolarHBondContact CG-OG 3.4Å; E317-S334 WeakPolarHBondContact OE2-CB 3.34Å; E317-S334 PolarHBondContact OE2-OG 3.28Å
318W96.6Very high94.1Very high19 Ų1972.2 Ų72.27%0.07236%0.361CS..EExtended strand (participates in β ladder)trans-90.9124173.2179-99.3000109.9K262 I265 D266 Y269 F285 Y320 R335 M337K262-W318 HydrophobicContact CB-CZ2 4.29Å; K262-W318 HydrophobicContact CG-CH2 4.39Å; K262-W318 HydrophobicContact CG-CZ2 3.83Å; I265-W318 HydrophobicContact CB-CH2 4.41Å; I265-W318 HydrophobicContact CB-CZ2 3.7Å; I265-W318 HydrophobicContact CG1-CH2 4.48Å; I265-W318 HydrophobicContact CG1-CZ2 4.25Å; I265-W318 HydrophobicContact CG2-CD2 4.11Å; I265-W318 VanDerWaalsContact CG2-CE2 3.49Å; I265-W318 HydrophobicContact CG2-CG 4.49Å; I265-W318 HydrophobicContact CG2-CH2 4.4Å; I265-W318 HydrophobicContact CG2-CZ2 3.64Å; D266-W318 PolarHBondContact OD1-NE1 2.7Å; Y269-W318 AromaticContact CD2-CD1 4Å; Y269-W318 HydrophobicContact CE2-CB 4.45Å; Y269-W318 AromaticContact CE2-CD1 3.71Å; Y269-W318 HydrophobicContact CE2-CG 4.11Å; F285-W318 HydrophobicContact CE1-CZ3 4.22Å; F285-W318 HydrophobicContact CZ-CZ3 4.28Å; W318-Y320 PolarHBondContact O-N 2.84Å; W318-R335 HydrophobicContact CB-CB 4.36Å; W318-R335 WeakPolarHBondContact CB-O 3.4Å; W318-R335 PolarHBondContact N-O 3.44Å; W318-R335 PolarHBondContact O-N 3.34Å; W318-M337 HydrophobicContact CB-CB 4.12Å; W318-M337 HydrophobicContact CB-CE 4.39Å; W318-M337 HydrophobicContact CB-SD 4.35Å; W318-M337 HydrophobicContact CD2-CE 4.11Å; W318-M337 HydrophobicContact CD2-SD 4.16Å; W318-M337 HydrophobicContact CE3-CE 3.33Å; W318-M337 HydrophobicContact CE3-SD 3.91Å; W318-M337 HydrophobicContact CG-SD 4.38Å; W318-M337 HydrophobicContact CZ3-CE 3.92Å
319E95.7Very high94.3Very high151 Ų15173 Ų7371%0.70636%0.355SS*.EExtended strand (participates in β ladder)trans-73.185.5175.6-66179.3-178.200110.9K262K262-E319 VanDerWaalsContact CE-O 3.25Å; K262-E319 WeakPolarHBondContact CE-O 3.28Å; K262-E319 PolarHBondContact NZ-O 2.73Å
320Y96.4Very high94.2Very high7 Ų776.9 Ų76.93%0.02738%0.379CS..EExtended strand (participates in β ladder)trans-73.9134.3-179.7172.5-96.4000111.5D266 Y269 W318 Q322 S332 G333 R335D266-Y320 HydrophobicContact CB-CD2 4.15Å; D266-Y320 HydrophobicContact CB-CE2 4.19Å; D266-Y320 WeakPolarHBondContact O-CE2 3.48Å; Y269-Y320 HydrophobicContact CG-CD2 4.49Å; W318-Y320 PolarHBondContact O-N 2.84Å; Y320-Q322 HydrophobicContact CE1-CB 3.74Å; Y320-Q322 WeakPolarHBondContact OH-CB 3.25Å; Y320-Q322 PolarHBondContact OH-OE1 2.7Å; Y320-S332 WeakPolarHBondContact O-CA 3.49Å; Y320-G333 WeakPolarHBondContact CB-O 3.19Å; Y320-G333 PolarHBondContact N-O 2.88Å; Y320-G333 PolarHBondContact O-N 2.97Å; Y320-R335 HydrophobicContact CD2-CG 4.28Å; Y320-R335 HydrophobicContact CG-CG 3.99Å
321T95.8Very high94.1Very high52 Ų5279.1 Ų79.132%0.31939%0.388SS..EExtended strand (participates in β ladder)trans-130.2140.1173.348.60000111.9K262 D266 I331K262-T321 WeakPolarHBondContact CE-OG1 3.47Å; D266-T321 WeakPolarHBondContact CB-O 3.43Å; D266-T321 PolarHBondContact OD2-N 2.93Å; D266-T321 VanDerWaalsContact OD2-N 3.14Å; D266-T321 VanDerWaalsContact OD2-O 3.07Å; D266-T321 PolarHBondContact OD2-OG1 2.8Å; T321-I331 CarbonylContact C-O 3.57Å; T321-I331 WeakPolarHBondContact CA-O 3.42Å
322Q93.1Very high93.9Very high34 Ų3482.8 Ų82.816%0.15941%0.414CS..EExtended strand (participates in β ladder)trans-140.8114.3176.4178.8-174.7-700111R270 Y320 V330 I331R270-Q322 VanDerWaalsContact CZ-NE2 3.25Å; Y320-Q322 HydrophobicContact CE1-CB 3.74Å; Y320-Q322 WeakPolarHBondContact OH-CB 3.25Å; Y320-Q322 PolarHBondContact OH-OE1 2.7Å; Q322-V330 WeakPolarHBondContact O-CA 3.43Å; Q322-I331 HydrophobicContact CB-CB 4.38Å; Q322-I331 PolarHBondContact N-O 2.96Å; Q322-I331 PolarHBondContact O-N 3.21Å
323E90.7Very high93.8Very high144 Ų14482.8 Ų82.867%0.67342%0.422SS*.EExtended strand (participates in β ladder)trans-72.4136.2170.3-64.2179.3-175.700111V330E323-V330 HydrophobicContact CG-CG2 4.21Å
324R89.3Confident93.7Very high44 Ų4483.7 Ų83.717%0.16643%0.428CS..EExtended strand (participates in β ladder)trans-119.888.7172.1-65.4-173.4-66.7-169.9-4.3109.3Y326 K327 K328 D329 I331R324-Y326 HydrophobicContact CB-CD1 4.13Å; R324-Y326 HydrophobicContact CB-CE1 3.66Å; R324-Y326 WeakPolarHBondContact CD-OH 3.36Å; R324-Y326 HydrophobicContact CG-CE1 3.97Å; R324-Y326 PolarHBondContact O-N 3.33Å; R324-Y326 VanDerWaalsContact O-N 3.1Å; R324-K327 HydrophobicContact CB-CB 4.14Å; R324-K327 CarbonylContact O-C 3.47Å; R324-K327 PolarHBondContact O-N 3.17Å; R324-K328 PolarHBondContact O-N 3.06Å; R324-D329 WeakPolarHBondContact CB-OD1 3.49Å; R324-D329 IonicContact CZ-OD1 3.55Å; R324-D329 IonicContact CZ-OD2 2.69Å; R324-D329 PolarHBondContact N-O 2.81Å; R324-D329 IonicContact NE-OD1 3.71Å; R324-D329 PolarHBondContact NE-OD1 2.84Å; R324-D329 IonicContact NE-OD2 3.97Å; R324-D329 IonicContact NH2-OD1 2.71Å; R324-D329 PolarHBondContact NH2-OD1 3.41Å; R324-D329 IonicContact NH2-OD2 3.03Å; R324-D329 PolarHBondContact NH2-OD2 2.92Å; R324-I331 HydrophobicContact CG-CD1 4.36Å
325P89Confident93.6Very high105 Ų10585.1 Ų85.168%0.68243%0.431SS*.THydrogen-bonded Turntrans-54.1-36.8-176.5-28.635.2000113.8K327 K328P325-K327 VanDerWaalsContact C-N 3.33Å; P325-K327 PolarHBondContact O-N 2.79Å; P325-K328 PolarHBondContact O-N 2.89Å
326Y90.2Very high93.6Very high170 Ų17088.6 Ų88.667%0.66744%0.437SS*.THydrogen-bonded Turntrans-68.7-26.8179.166.5-80.6000114R324R324-Y326 HydrophobicContact CB-CD1 4.13Å; R324-Y326 HydrophobicContact CB-CE1 3.66Å; R324-Y326 WeakPolarHBondContact CD-OH 3.36Å; R324-Y326 HydrophobicContact CG-CE1 3.97Å; R324-Y326 PolarHBondContact O-N 3.33Å; R324-Y326 VanDerWaalsContact O-N 3.1Å
327K91.9Very high93.7Very high117 Ų11786.9 Ų86.951%0.50943%0.428SS..THydrogen-bonded Turntrans-99.7-8.7174.4-77-177.2176.1-163.80113.3R324 P325 D329R324-K327 HydrophobicContact CB-CB 4.14Å; R324-K327 CarbonylContact O-C 3.47Å; R324-K327 PolarHBondContact O-N 3.17Å; P325-K327 VanDerWaalsContact C-N 3.33Å; P325-K327 PolarHBondContact O-N 2.79Å; K327-D329 WeakPolarHBondContact CB-OD1 3.41Å; K327-D329 PolarHBondContact O-N 3.32Å
328K90.9Very high93.8Very high198 Ų19880.6 Ų80.686%0.86140%0.398SS*.THydrogen-bonded Turntrans52.236.6-174.3-58-178.1179.3179.60113R324 P325R324-K328 PolarHBondContact O-N 3.06Å; P325-K328 PolarHBondContact O-N 2.89Å
329D94.2Very high93.9Very high60 Ų6079.9 Ų79.932%0.32140%0.396SS..EExtended strand (participates in β ladder)trans-133.4170.817867.812.3000111.8R324 K327R324-D329 WeakPolarHBondContact CB-OD1 3.49Å; R324-D329 IonicContact CZ-OD1 3.55Å; R324-D329 IonicContact CZ-OD2 2.69Å; R324-D329 PolarHBondContact N-O 2.81Å; R324-D329 IonicContact NE-OD1 3.71Å; R324-D329 PolarHBondContact NE-OD1 2.84Å; R324-D329 IonicContact NE-OD2 3.97Å; R324-D329 IonicContact NH2-OD1 2.71Å; R324-D329 PolarHBondContact NH2-OD1 3.41Å; R324-D329 IonicContact NH2-OD2 3.03Å; R324-D329 PolarHBondContact NH2-OD2 2.92Å; K327-D329 WeakPolarHBondContact CB-OD1 3.41Å; K327-D329 PolarHBondContact O-N 3.32Å
330V92.8Very high94Very high86 Ų8672.7 Ų72.752%0.52136%0.362SS..EExtended strand (participates in β ladder)trans-121.2124.2176.8-177.10000108.2Q322 E323Q322-V330 WeakPolarHBondContact O-CA 3.43Å; E323-V330 HydrophobicContact CG-CG2 4.21Å
331I92.9Very high94.1Very high55 Ų5572.3 Ų72.328%0.28236%0.361SS..EExtended strand (participates in β ladder)trans-80.9126.9166.1-58.3172.9000107.1T321 Q322 R324T321-I331 CarbonylContact C-O 3.57Å; T321-I331 WeakPolarHBondContact CA-O 3.42Å; Q322-I331 HydrophobicContact CB-CB 4.38Å; Q322-I331 PolarHBondContact N-O 2.96Å; Q322-I331 PolarHBondContact O-N 3.21Å; R324-I331 HydrophobicContact CG-CD1 4.36Å
332S93.5Very high94.2Very high96 Ų9669.9 Ų69.967%0.67135%0.345SS*.EExtended strand (participates in β ladder)trans-112153.6166.354.80000110.1Y320Y320-S332 WeakPolarHBondContact O-CA 3.49Å
333G93.4Very high94.4Very high32 Ų3269.2 Ų69.233%0.3334%0.342SS..EExtended strand (participates in β ladder)trans-175.5174174.600000112.4Y320Y320-G333 WeakPolarHBondContact CB-O 3.19Å; Y320-G333 PolarHBondContact N-O 2.88Å; Y320-G333 PolarHBondContact O-N 2.97Å
334S94.3Very high94.6Very high54 Ų5463.5 Ų63.538%0.37832%0.318SS..EExtended strand (participates in β ladder)trans-96.3139.8174.6-173.10000110.6E317E317-S334 VanDerWaalsContact CB-OG 3.28Å; E317-S334 WeakPolarHBondContact CB-OG 3.42Å; E317-S334 WeakPolarHBondContact CG-OG 3.4Å; E317-S334 WeakPolarHBondContact OE2-CB 3.34Å; E317-S334 PolarHBondContact OE2-OG 3.28Å
335R96.6Very high94.9Very high106 Ų10666.3 Ų66.340%0.434%0.34SS..EExtended strand (participates in β ladder)trans-129.6134.3172.9-64.1-67.4180-110.75.3109.2Y269 W318 Y320 M337Y269-R335 HydrophobicContact CD1-CB 4.11Å; Y269-R335 HydrophobicContact CD1-CG 4.12Å; Y269-R335 HydrophobicContact CD2-CB 4.42Å; Y269-R335 HydrophobicContact CD2-CG 4.49Å; Y269-R335 HydrophobicContact CE1-CB 3.83Å; Y269-R335 HydrophobicContact CE1-CG 4.35Å; Y269-R335 HydrophobicContact CE2-CB 4.15Å; Y269-R335 HydrophobicContact CG-CB 4.41Å; Y269-R335 HydrophobicContact CG-CG 4.21Å; W318-R335 HydrophobicContact CB-CB 4.36Å; W318-R335 WeakPolarHBondContact CB-O 3.4Å; W318-R335 PolarHBondContact N-O 3.44Å; W318-R335 PolarHBondContact O-N 3.34Å; Y320-R335 HydrophobicContact CD2-CG 4.28Å; Y320-R335 HydrophobicContact CG-CG 3.99Å; R335-M337 PolarHBondContact O-N 2.93Å
336R97.1Very high95.1Very high146 Ų14667.2 Ų67.255%0.55133%0.334SS*.EExtended strand (participates in β ladder)trans-68.2127.9176.4-176-172.969.5-171.85.5110.6Y269 T315 Y338Y269-R336 PolarHBondContact OH-O 3.09Å; T315-R336 HydrophobicContact CG2-CG 3.81Å; R336-Y338 PolarHBondContact NE-OH 3.36Å; R336-Y338 VanDerWaalsContact NE-OH 3.14Å; R336-Y338 PolarHBondContact NH1-OH 2.66Å; R336-Y338 PolarHBondContact NH2-OH 3.18Å
337M97.8Very high95.3Very high0 Ų062.4 Ų62.40%032%0.317CS..EExtended strand (participates in β ladder)trans-133.4150.7173.8-166169.669.300110.2F285 M316 W318 R335 V415 S416F285-M337 HydrophobicContact CE2-CE 4.44Å; M316-M337 HydrophobicContact CE-CE 3.82Å; M316-M337 HydrophobicContact CG-CB 4.11Å; M316-M337 HydrophobicContact CG-CE 4.06Å; M316-M337 PolarHBondContact N-O 3.07Å; M316-M337 PolarHBondContact O-N 2.88Å; M316-M337 VanDerWaalsContact O-O 3.07Å; M316-M337 HydrophobicContact SD-CE 3.46Å; M316-M337 WeakPolarHBondContact SD-CE 3.41Å; W318-M337 HydrophobicContact CB-CB 4.12Å; W318-M337 HydrophobicContact CB-CE 4.39Å; W318-M337 HydrophobicContact CB-SD 4.35Å; W318-M337 HydrophobicContact CD2-CE 4.11Å; W318-M337 HydrophobicContact CD2-SD 4.16Å; W318-M337 HydrophobicContact CE3-CE 3.33Å; W318-M337 HydrophobicContact CE3-SD 3.91Å; W318-M337 HydrophobicContact CG-SD 4.38Å; W318-M337 HydrophobicContact CZ3-CE 3.92Å; R335-M337 PolarHBondContact O-N 2.93Å; M337-V415 HydrophobicContact CE-CB 4.22Å; M337-V415 HydrophobicContact CE-CG1 3.91Å; M337-V415 HydrophobicContact CG-CB 4.22Å; M337-V415 HydrophobicContact SD-CB 3.82Å; M337-V415 HydrophobicContact SD-CG1 4.19Å; M337-V415 HydrophobicContact SD-CG2 4.2Å; M337-S416 WeakPolarHBondContact CG-O 3.46Å
338Y98.3Very high95.5Very high16 Ų1657.4 Ų57.46%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-105126.9172-54.6-64.5000108.6T315 R336 V415 S416 V419 K420T315-Y338 HydrophobicContact CG2-CD1 4.27Å; T315-Y338 HydrophobicContact CG2-CE1 4.02Å; T315-Y338 WeakPolarHBondContact OG1-CD1 3.38Å; T315-Y338 WeakPolarHBondContact OG1-CE1 3.49Å; R336-Y338 PolarHBondContact NE-OH 3.36Å; R336-Y338 VanDerWaalsContact NE-OH 3.14Å; R336-Y338 PolarHBondContact NH1-OH 2.66Å; R336-Y338 PolarHBondContact NH2-OH 3.18Å; Y338-V415 CarbonylContact O-C 3.57Å; Y338-V415 VanDerWaalsContact O-CA 3.29Å; Y338-V415 WeakPolarHBondContact O-CA 3.35Å; Y338-S416 PolarHBondContact N-O 2.81Å; Y338-S416 PolarHBondContact O-N 3.17Å; Y338-V419 WeakPolarHBondContact CD2-O 3.33Å; Y338-K420 HydrophobicContact CD1-CB 4.19Å; Y338-K420 HydrophobicContact CD1-CG 3.98Å; Y338-K420 HydrophobicContact CD2-CB 4.33Å; Y338-K420 HydrophobicContact CE1-CB 3.96Å; Y338-K420 HydrophobicContact CE1-CD 4.13Å; Y338-K420 HydrophobicContact CE1-CG 3.77Å; Y338-K420 HydrophobicContact CE2-CB 4.1Å; Y338-K420 HydrophobicContact CG-CB 4.37Å
339L98.4Very high95.7Very high4 Ų450 Ų502%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-103.8117.8171.5171.464000108.1F285 V286 R289 S313 K314 M316 V341 A413 V415F285-L339 HydrophobicContact CD2-CD2 4.19Å; F285-L339 HydrophobicContact CE2-CD1 4.29Å; V286-L339 HydrophobicContact CG2-CD1 4.11Å; R289-L339 HydrophobicContact CB-CD2 3.58Å; R289-L339 HydrophobicContact CG-CD2 3.93Å; S313-L339 CarbonylContact C-O 3.55Å; S313-L339 WeakPolarHBondContact CA-O 3.33Å; K314-L339 PolarHBondContact N-O 2.74Å; K314-L339 PolarHBondContact O-N 3.09Å; M316-L339 HydrophobicContact CG-CB 4.48Å; M316-L339 HydrophobicContact SD-CB 3.93Å; M316-L339 HydrophobicContact SD-CD2 4.43Å; L339-V341 HydrophobicContact CD1-CG2 4.41Å; L339-V341 HydrophobicContact CD2-CG2 4.36Å; L339-V341 HydrophobicContact CG-CG2 4.13Å; L339-A413 HydrophobicContact CD1-CB 4.16Å; L339-V415 HydrophobicContact CD1-CG1 4.07Å
340H98.3Very high95.8Very high0 Ų050.4 Ų50.40%028%0.275CS..EExtended strand (participates in β ladder)trans-104.1124.5174.8-50.4-57.4000108.8D312 S313 Y342 A413 L414 V419 K420 P422 A425D312-H340 CarbonylContact O-C 3.52Å; D312-H340 WeakPolarHBondContact O-CA 3.18Å; S313-H340 WeakPolarHBondContact CB-ND1 3.37Å; S313-H340 PolarHBondContact OG-CE1 2.91Å; S313-H340 PolarHBondContact OG-ND1 2.78Å; H340-Y342 HydrophobicContact CB-CE2 3.63Å; H340-Y342 VanDerWaalsContact CB-OH 3.24Å; H340-Y342 WeakPolarHBondContact CB-OH 3.48Å; H340-A413 CarbonylContact O-C 3.53Å; H340-A413 WeakPolarHBondContact O-CA 3.47Å; H340-A413 WeakPolarHBondContact O-CB 2.85Å; H340-L414 HydrophobicContact CB-CB 4.38Å; H340-L414 PolarHBondContact N-O 3.28Å; H340-L414 PolarHBondContact O-N 3.21Å; H340-V419 PolarHBondContact CE1-O 2.96Å; H340-V419 VanDerWaalsContact CE1-O 3.27Å; H340-V419 PolarHBondContact NE2-O 3.32Å; H340-K420 PolarHBondContact CE1-O 3.43Å; H340-P422 HydrophobicContact CB-CB 4.26Å; H340-A425 VanDerWaalsContact CD2-CB 3.45Å; H340-A425 WeakPolarHBondContact CD2-CB 3.27Å
341V97.9Very high96Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-112.7136.6176.5178.40000108.3R289 I290 V293 I297 C311 D312 L339 F411R289-V341 HydrophobicContact CB-CG2 4.16Å; R289-V341 HydrophobicContact CG-CG2 3.68Å; I290-V341 HydrophobicContact CG1-CG1 3.8Å; V293-V341 HydrophobicContact CG2-CG1 4.36Å; I297-V341 HydrophobicContact CD1-CG1 4.06Å; C311-V341 WeakPolarHBondContact CA-O 3.5Å; D312-V341 PolarHBondContact N-O 2.93Å; D312-V341 PolarHBondContact O-N 3.07Å; L339-V341 HydrophobicContact CD1-CG2 4.41Å; L339-V341 HydrophobicContact CD2-CG2 4.36Å; L339-V341 HydrophobicContact CG-CG2 4.13Å; V341-F411 HydrophobicContact CG1-CD1 3.83Å; V341-F411 HydrophobicContact CG1-CE1 4.29Å
342Y97.7Very high96Very high0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-128.6152.5-179.9-52.1-87000110.1I309 G310 C311 H340 F411 F412 L414 P422 L426I309-Y342 HydrophobicContact CD1-CD1 3.6Å; I309-Y342 HydrophobicContact CD1-CE1 4.35Å; I309-Y342 HydrophobicContact CD1-CG 4.31Å; G310-Y342 CarbonylContact O-C 3.56Å; G310-Y342 VanDerWaalsContact O-CA 3.24Å; G310-Y342 WeakPolarHBondContact O-CA 3.47Å; C311-Y342 HydrophobicContact CB-CD1 3.8Å; C311-Y342 HydrophobicContact CB-CE1 4.09Å; H340-Y342 HydrophobicContact CB-CE2 3.63Å; H340-Y342 VanDerWaalsContact CB-OH 3.24Å; H340-Y342 WeakPolarHBondContact CB-OH 3.48Å; Y342-F411 VanDerWaalsContact O-CA 3.29Å; Y342-F411 WeakPolarHBondContact O-CA 3.28Å; Y342-F411 WeakPolarHBondContact O-CD1 3.36Å; Y342-F412 VanDerWaalsContact CB-CE1 3.43Å; Y342-F412 VanDerWaalsContact CB-CE2 3.5Å; Y342-F412 HydrophobicContact CD1-CE2 4.4Å; Y342-F412 HydrophobicContact CD1-CZ 4.4Å; Y342-F412 AromaticContact CD2-CD2 3.63Å; Y342-F412 HydrophobicContact CD2-CD2 3.63Å; Y342-F412 AromaticContact CD2-CE2 3.35Å; Y342-F412 HydrophobicContact CD2-CE2 3.35Å; Y342-F412 HydrophobicContact CD2-CG 4.46Å; Y342-F412 AromaticContact CD2-CZ 4Å; Y342-F412 HydrophobicContact CD2-CZ 4Å; Y342-F412 HydrophobicContact CE2-CE2 4.17Å; Y342-F412 HydrophobicContact CG-CD2 4.11Å; Y342-F412 HydrophobicContact CG-CE1 4.33Å; Y342-F412 AromaticContact CG-CE2 3.49Å; Y342-F412 HydrophobicContact CG-CE2 3.49Å; Y342-F412 VanDerWaalsContact CG-CE2 3.49Å; Y342-F412 AromaticContact CG-CZ 3.63Å; Y342-F412 HydrophobicContact CG-CZ 3.63Å; Y342-F412 PolarHBondContact N-O 2.87Å; Y342-F412 PolarHBondContact O-N 2.77Å; Y342-F412 VanDerWaalsContact O-N 3.1Å; Y342-L414 HydrophobicContact CE2-CB 4.2Å; Y342-L414 HydrophobicContact CE2-CD1 3.88Å; Y342-L414 HydrophobicContact CE2-CG 3.78Å; Y342-P422 HydrophobicContact CE1-CB 3.99Å; Y342-P422 PolarHBondContact OH-O 2.53Å; Y342-L426 HydrophobicContact CD1-CD2 4.1Å; Y342-L426 HydrophobicContact CE1-CB 3.86Å; Y342-L426 HydrophobicContact CE1-CD2 3.96Å; Y342-L426 HydrophobicContact CE1-CG 4.37Å
343Y97.5Very high96.1Very high21 Ų2151.1 Ų51.18%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-130.2124.4174.7-179.6-102.5000110.3I297 R298 I309 G310 V345 A348 H409 G410 F411I297-Y343 HydrophobicContact CG2-CG 4.39Å; R298-Y343 HydrophobicContact CG-CD1 3.98Å; R298-Y343 HydrophobicContact CG-CE1 3.92Å; R298-Y343 PolarHBondContact NE-OH 3.06Å; R298-Y343 PolarHBondContact NH2-OH 3.21Å; I309-Y343 WeakPolarHBondContact CA-O 3.43Å; I309-Y343 WeakPolarHBondContact CB-O 3.33Å; G310-Y343 PolarHBondContact N-O 3.15Å; G310-Y343 PolarHBondContact O-N 3.2Å; Y343-V345 HydrophobicContact CE1-CG2 3.84Å; Y343-A348 HydrophobicContact CE2-CB 4.2Å; Y343-H409 WeakPolarHBondContact CE2-O 2.95Å; Y343-G410 WeakPolarHBondContact CA-O 3.07Å; Y343-F411 HydrophobicContact CD2-CD1 4.18Å; Y343-F411 AromaticContact CD2-CD2 3.93Å; Y343-F411 HydrophobicContact CD2-CD2 3.93Å; Y343-F411 AromaticContact CD2-CE1 3.94Å; Y343-F411 HydrophobicContact CD2-CE1 3.94Å; Y343-F411 AromaticContact CD2-CE2 3.66Å; Y343-F411 HydrophobicContact CD2-CE2 3.66Å; Y343-F411 HydrophobicContact CD2-CG 4.18Å; Y343-F411 AromaticContact CD2-CZ 3.66Å; Y343-F411 HydrophobicContact CD2-CZ 3.66Å; Y343-F411 HydrophobicContact CE2-CD2 4.37Å; Y343-F411 AromaticContact CE2-CE2 4Å; Y343-F411 HydrophobicContact CE2-CE2 4Å; Y343-F411 HydrophobicContact CE2-CZ 4.31Å; Y343-F411 HydrophobicContact CG-CE1 4.37Å; Y343-F411 HydrophobicContact CG-CZ 4.35Å
344S95.9Very high96.2Very high24 Ų2456 Ų5617%0.16828%0.279CS..  trans-115.6122.6173.8166.50000110K347 A348 G410S344-K347 PolarHBondContact O-N 2.84Å; S344-K347 WeakPolarHBondContact OG-CB 3.46Å; S344-K347 PolarHBondContact OG-N 3.1Å; S344-A348 PolarHBondContact O-N 3.28Å; S344-G410 PolarHBondContact N-O 3.14Å; S344-G410 WeakPolarHBondContact O-CA 3.34Å
345V93.8Very high96.2Very high103 Ų10354.2 Ų54.262%0.62426%0.264SS*.Hα-helixtrans-62.5-44.6177.6177.90000110.6Y343 K347 A348 A349Y343-V345 HydrophobicContact CE1-CG2 3.84Å; V345-K347 PolarHBondContact O-N 3.32Å; V345-A348 WeakPolarHBondContact O-CB 3.45Å; V345-A348 PolarHBondContact O-N 2.92Å; V345-A349 PolarHBondContact O-N 3.44Å; V345-A349 VanDerWaalsContact O-N 3.08Å
346Q93.8Very high96.1Very high123 Ų12351.5 Ų51.558%0.57526%0.258SS*.Hα-helixtrans-59.2-49178-176.55941.900110.9A348 A349 D350Q346-A348 VanDerWaalsContact C-N 3.26Å; Q346-A348 PolarHBondContact O-N 3.29Å; Q346-A349 PolarHBondContact O-N 3.34Å; Q346-A349 VanDerWaalsContact O-N 3.16Å; Q346-D350 PolarHBondContact NE2-OD1 3.16Å; Q346-D350 PolarHBondContact NE2-OD2 2.86Å; Q346-D350 VanDerWaalsContact O-CG 3.25Å; Q346-D350 PolarHBondContact O-N 2.63Å
347K95Very high96.1Very high70 Ų7047.7 Ų47.730%0.30426%0.258SS..Hα-helixtrans-59.8-38.2177.7179.8177.6173131.30112S344 V345 D350 E351 F412S344-K347 PolarHBondContact O-N 2.84Å; S344-K347 WeakPolarHBondContact OG-CB 3.46Å; S344-K347 PolarHBondContact OG-N 3.1Å; V345-K347 PolarHBondContact O-N 3.32Å; K347-D350 PolarHBondContact O-N 2.97Å; K347-E351 VanDerWaalsContact CE-CD 3.45Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 HydrophobicContact CG-CG 4.3Å; K347-E351 IonicContact NZ-OE1 2.97Å; K347-E351 WeakPolarHBondContact O-CB 3.39Å; K347-E351 WeakPolarHBondContact O-CG 3.33Å; K347-E351 PolarHBondContact O-N 3.34Å; K347-F412 HydrophobicContact CD-CD1 4.22Å
348A95.3Very high95.9Very high11 Ų1154.2 Ų54.29%0.09128%0.282CS..Hα-helixtrans-62.9-43.9178.100000111.7Y343 S344 V345 Q346 E352 H409Y343-A348 HydrophobicContact CE2-CB 4.2Å; S344-A348 PolarHBondContact O-N 3.28Å; V345-A348 WeakPolarHBondContact O-CB 3.45Å; V345-A348 PolarHBondContact O-N 2.92Å; Q346-A348 VanDerWaalsContact C-N 3.26Å; Q346-A348 PolarHBondContact O-N 3.29Å; A348-E352 VanDerWaalsContact O-CB 3.31Å; A348-E352 WeakPolarHBondContact O-CB 3.48Å; A348-E352 PolarHBondContact O-N 3.18Å; A348-H409 HydrophobicContact CB-CB 4.37Å
349A96Very high95.8Very high42 Ų4253.9 Ų53.935%0.34728%0.281SS..Hα-helixtrans-64.5-44.9176.800000111.6V345 Q346 E352 L353V345-A349 PolarHBondContact O-N 3.44Å; V345-A349 VanDerWaalsContact O-N 3.08Å; Q346-A349 PolarHBondContact O-N 3.34Å; Q346-A349 VanDerWaalsContact O-N 3.16Å; A349-E352 WeakPolarHBondContact O-CB 3.15Å; A349-E352 PolarHBondContact O-N 3.45Å; A349-L353 WeakPolarHBondContact O-CG 3.48Å; A349-L353 PolarHBondContact O-N 3.25Å
350D96.1Very high95.7Very high69 Ų6958.4 Ų58.437%0.36931%0.306SS..Hα-helixtrans-62-48.5178.4-61.8-25.7000111.3Q346 K347 E352 L353 E354Q346-D350 PolarHBondContact NE2-OD1 3.16Å; Q346-D350 PolarHBondContact NE2-OD2 2.86Å; Q346-D350 VanDerWaalsContact O-CG 3.25Å; Q346-D350 PolarHBondContact O-N 2.63Å; K347-D350 PolarHBondContact O-N 2.97Å; D350-E352 VanDerWaalsContact C-N 3.27Å; D350-E352 PolarHBondContact O-N 3.33Å; D350-L353 PolarHBondContact O-N 3.36Å; D350-E354 WeakPolarHBondContact O-CG 2.94Å; D350-E354 PolarHBondContact O-N 2.84Å
351E95.5Very high95.6Very high52 Ų5259.8 Ų59.824%0.24332%0.32CS..Hα-helixtrans-64.4-31.3177.4-73177.2152.400112.2K347 L355 H409 G410K347-E351 VanDerWaalsContact CE-CD 3.45Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 HydrophobicContact CG-CG 4.3Å; K347-E351 IonicContact NZ-OE1 2.97Å; K347-E351 WeakPolarHBondContact O-CB 3.39Å; K347-E351 WeakPolarHBondContact O-CG 3.33Å; K347-E351 PolarHBondContact O-N 3.34Å; E351-L355 WeakPolarHBondContact O-CB 3.16Å; E351-L355 PolarHBondContact O-N 3.18Å; E351-H409 VanDerWaalsContact C-CE1 3.45Å; E351-H409 HydrophobicContact CB-CB 4.28Å; E351-H409 PolarHBondContact O-CE1 3.24Å; E351-H409 VanDerWaalsContact OE2-CA 3.24Å; E351-H409 WeakPolarHBondContact OE2-CA 3.32Å; E351-G410 PolarHBondContact OE2-N 2.96Å
352E94.2Very high95.5Very high84 Ų8460 Ų6039%0.39332%0.321SS..Hα-helixtrans-66.5-46.7172.9-179.6166.7-165.100112.2A348 A349 D350 L355 N356 R406 H409A348-E352 VanDerWaalsContact O-CB 3.31Å; A348-E352 WeakPolarHBondContact O-CB 3.48Å; A348-E352 PolarHBondContact O-N 3.18Å; A349-E352 WeakPolarHBondContact O-CB 3.15Å; A349-E352 PolarHBondContact O-N 3.45Å; D350-E352 VanDerWaalsContact C-N 3.27Å; D350-E352 PolarHBondContact O-N 3.33Å; E352-L355 PolarHBondContact O-N 3.1Å; E352-N356 WeakPolarHBondContact O-CB 3.3Å; E352-N356 PolarHBondContact O-N 3.01Å; E352-N356 PolarHBondContact O-ND2 3.4Å; E352-R406 IonicContact OE1-CZ 2.73Å; E352-H409 PolarHBondContact N-ND1 2.87Å
353L95.5Very high95.3Very high116 Ų11666 Ų6661%0.60734%0.344SS*.Hα-helixtrans-61.8-44.5175.3-69172.9000111.5A349 D350 L355 N356 A357A349-L353 WeakPolarHBondContact O-CG 3.48Å; A349-L353 PolarHBondContact O-N 3.25Å; D350-L353 PolarHBondContact O-N 3.36Å; L353-L355 PolarHBondContact O-N 3.25Å; L353-N356 PolarHBondContact O-N 3.23Å; L353-A357 WeakPolarHBondContact O-CB 3.4Å; L353-A357 PolarHBondContact O-N 3.24Å
354E94.5Very high95.2Very high136 Ų13670.6 Ų70.664%0.63637%0.366SS*.Hα-helixtrans-60.6-44.1176.5-75.8-178.1-173.500112.3D350 R358D350-E354 WeakPolarHBondContact O-CG 2.94Å; D350-E354 PolarHBondContact O-N 2.84Å; E354-R358 VanDerWaalsContact O-CB 3.3Å; E354-R358 WeakPolarHBondContact O-CB 3.12Å; E354-R358 PolarHBondContact O-N 3.35Å
355L94.4Very high95.1Very high15 Ų1571.3 Ų71.38%0.07937%0.367CS..Hα-helixtrans-64-45.2177.3178.761.8000111E351 E352 L353 R358 L359 F382 V402 A405 R406E351-L355 WeakPolarHBondContact O-CB 3.16Å; E351-L355 PolarHBondContact O-N 3.18Å; E352-L355 PolarHBondContact O-N 3.1Å; L353-L355 PolarHBondContact O-N 3.25Å; L355-R358 PolarHBondContact O-N 3.31Å; L355-L359 HydrophobicContact CD1-CD1 4.03Å; L355-L359 HydrophobicContact CD1-CG 4.08Å; L355-L359 HydrophobicContact CG-CD1 3.85Å; L355-L359 HydrophobicContact CG-CG 4.34Å; L355-L359 WeakPolarHBondContact O-CB 3.26Å; L355-L359 VanDerWaalsContact O-CG 3.22Å; L355-L359 WeakPolarHBondContact O-CG 3.4Å; L355-L359 PolarHBondContact O-N 2.95Å; L355-F382 HydrophobicContact CD1-CZ 4.32Å; L355-V402 HydrophobicContact CD2-CG1 4.45Å; L355-A405 HydrophobicContact CD2-CB 4.01Å; L355-R406 HydrophobicContact CD2-CG 3.99Å
356N95.7Very high95.1Very high50 Ų5066.5 Ų66.527%0.26734%0.338SS..Hα-helixtrans-60.8-49.8179.1-68.5-19.1000110.8E352 L353 R358 L359 D360 R406E352-N356 WeakPolarHBondContact O-CB 3.3Å; E352-N356 PolarHBondContact O-N 3.01Å; E352-N356 PolarHBondContact O-ND2 3.4Å; L353-N356 PolarHBondContact O-N 3.23Å; N356-R358 VanDerWaalsContact C-N 3.29Å; N356-R358 PolarHBondContact O-N 3.36Å; N356-L359 PolarHBondContact O-N 3.44Å; N356-L359 VanDerWaalsContact O-N 3.09Å; N356-D360 PolarHBondContact O-N 3.34Å; N356-R406 PolarHBondContact OD1-NH2 3.05Å
357A96Very high95.1Very high66 Ų6664.8 Ų64.855%0.54533%0.332SS..Hα-helixtrans-58.8-40.1176.700000112.4L353 D360 G361L353-A357 WeakPolarHBondContact O-CB 3.4Å; L353-A357 PolarHBondContact O-N 3.24Å; A357-D360 PolarHBondContact O-N 2.78Å; A357-G361 PolarHBondContact O-N 3.25Å; A357-G361 VanDerWaalsContact O-N 3.08Å
358R94.6Very high94.9Very high137 Ų13764 Ų6452%0.51734%0.336SS..Hα-helixtrans-63.8-44175.1-179.3-179.4176.5-165.9-2.7111.9E354 L355 N356 D360 G361 L362E354-R358 VanDerWaalsContact O-CB 3.3Å; E354-R358 WeakPolarHBondContact O-CB 3.12Å; E354-R358 PolarHBondContact O-N 3.35Å; L355-R358 PolarHBondContact O-N 3.31Å; N356-R358 VanDerWaalsContact C-N 3.29Å; N356-R358 PolarHBondContact O-N 3.36Å; R358-D360 VanDerWaalsContact C-N 3.34Å; R358-G361 PolarHBondContact O-N 3.33Å; R358-L362 HydrophobicContact CG-CD1 4.15Å; R358-L362 HydrophobicContact CG-CG 4.49Å; R358-L362 VanDerWaalsContact O-CG 3.25Å; R358-L362 WeakPolarHBondContact O-CG 3.26Å; R358-L362 PolarHBondContact O-N 3.26Å
359L95.8Very high94.6Very high8 Ų865.7 Ų65.74%0.04235%0.353CS..Hα-helixtrans-65.5-38.7179.1-69.7169.6000111.3L355 N356 L362 R363 F382 F383 I397 V402L355-L359 HydrophobicContact CD1-CD1 4.03Å; L355-L359 HydrophobicContact CD1-CG 4.08Å; L355-L359 HydrophobicContact CG-CD1 3.85Å; L355-L359 HydrophobicContact CG-CG 4.34Å; L355-L359 WeakPolarHBondContact O-CB 3.26Å; L355-L359 VanDerWaalsContact O-CG 3.22Å; L355-L359 WeakPolarHBondContact O-CG 3.4Å; L355-L359 PolarHBondContact O-N 2.95Å; N356-L359 PolarHBondContact O-N 3.44Å; N356-L359 VanDerWaalsContact O-N 3.09Å; L359-L362 PolarHBondContact O-N 3.46Å; L359-R363 VanDerWaalsContact O-CB 3.26Å; L359-R363 WeakPolarHBondContact O-CB 3.42Å; L359-R363 PolarHBondContact O-N 2.97Å; L359-F382 HydrophobicContact CD2-CB 3.59Å; L359-F382 HydrophobicContact CD2-CD1 3.86Å; L359-F382 HydrophobicContact CD2-CD2 3.89Å; L359-F382 HydrophobicContact CD2-CG 3.51Å; L359-F383 HydrophobicContact CB-CZ 4.33Å; L359-F383 HydrophobicContact CD2-CE2 4.08Å; L359-F383 HydrophobicContact CD2-CZ 3.96Å; L359-F383 WeakPolarHBondContact O-CZ 3.48Å; L359-I397 HydrophobicContact CD1-CD1 4.29Å; L359-V402 HydrophobicContact CD1-CG1 4.27Å; L359-V402 HydrophobicContact CD1-CG2 4.01Å
360D95.9Very high94.3Very high99 Ų9970.8 Ų70.853%0.52936%0.364SS..Hα-helixtrans-61.4-46.9174.8-70.8-28.2000111.5N356 A357 R358 L362 R363 E364N356-D360 PolarHBondContact O-N 3.34Å; A357-D360 PolarHBondContact O-N 2.78Å; R358-D360 VanDerWaalsContact C-N 3.34Å; D360-L362 PolarHBondContact O-N 2.84Å; D360-R363 WeakPolarHBondContact O-CB 3.21Å; D360-R363 PolarHBondContact O-N 2.86Å; D360-E364 PolarHBondContact O-N 3.12Å
361G95.7Very high94.1Very high30 Ų3073 Ų7331%0.30937%0.367SS..Hα-helixtrans-60.1-46.5175.300000113A357 R358 R363 E364 E365A357-G361 PolarHBondContact O-N 3.25Å; A357-G361 VanDerWaalsContact O-N 3.08Å; R358-G361 PolarHBondContact O-N 3.33Å; G361-R363 VanDerWaalsContact C-N 3.29Å; G361-R363 PolarHBondContact O-N 3.48Å; G361-E364 PolarHBondContact O-N 3.07Å; G361-E365 WeakPolarHBondContact O-CG 3.07Å; G361-E365 PolarHBondContact O-N 2.9Å
362L95.7Very high94Very high4 Ų472.8 Ų72.82%0.02137%0.369CS..Hα-helixtrans-62.2-37.5176.2-67.9171.9000112R358 L359 D360 L366 H375 A378 Y379 F383R358-L362 HydrophobicContact CG-CD1 4.15Å; R358-L362 HydrophobicContact CG-CG 4.49Å; R358-L362 VanDerWaalsContact O-CG 3.25Å; R358-L362 WeakPolarHBondContact O-CG 3.26Å; R358-L362 PolarHBondContact O-N 3.26Å; L359-L362 PolarHBondContact O-N 3.46Å; D360-L362 PolarHBondContact O-N 2.84Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 3.48Å; L362-L366 VanDerWaalsContact O-N 3.09Å; L362-H375 HydrophobicContact CD2-CB 3.62Å; L362-A378 HydrophobicContact CD1-CB 3.71Å; L362-A378 HydrophobicContact CD2-CB 4.21Å; L362-Y379 HydrophobicContact CB-CD1 4.2Å; L362-Y379 HydrophobicContact CB-CE1 4.05Å; L362-Y379 HydrophobicContact CD2-CD1 3.89Å; L362-Y379 HydrophobicContact CD2-CE1 3.46Å; L362-Y379 VanDerWaalsContact CD2-CE1 3.46Å; L362-Y379 HydrophobicContact CG-CE1 4.34Å; L362-F383 HydrophobicContact CB-CE2 3.68Å; L362-F383 HydrophobicContact CB-CZ 4.23Å; L362-F383 HydrophobicContact CD1-CE2 4.22Å
363R94.8Very high93.9Very high127 Ų12776 Ų7648%0.47939%0.389SS..Hα-helixtrans-67.1-41.9177.5-176.7-178.2179.3-170.7-1111.3L359 D360 G361 L366 L367 F383 V395L359-R363 VanDerWaalsContact O-CB 3.26Å; L359-R363 WeakPolarHBondContact O-CB 3.42Å; L359-R363 PolarHBondContact O-N 2.97Å; D360-R363 WeakPolarHBondContact O-CB 3.21Å; D360-R363 PolarHBondContact O-N 2.86Å; G361-R363 VanDerWaalsContact C-N 3.29Å; G361-R363 PolarHBondContact O-N 3.48Å; R363-L366 PolarHBondContact O-N 3.05Å; R363-L367 HydrophobicContact CG-CD1 3.9Å; R363-L367 HydrophobicContact CG-CG 4.39Å; R363-L367 WeakPolarHBondContact O-CB 3.4Å; R363-L367 WeakPolarHBondContact O-CG 3.33Å; R363-L367 PolarHBondContact O-N 2.85Å; R363-F383 HydrophobicContact CB-CE1 4.12Å; R363-F383 HydrophobicContact CB-CZ 4.12Å; R363-V395 HydrophobicContact CG-CG1 4.42Å
364E94.5Very high93.7Very high117 Ų11780.1 Ų80.155%0.54740%0.396SS..Hα-helixtrans-62.9-43.9175.9-167.5-165.9147.400111.6D360 G361 L366 L367 S368 R370D360-E364 PolarHBondContact O-N 3.12Å; G361-E364 PolarHBondContact O-N 3.07Å; E364-L366 VanDerWaalsContact C-N 3.32Å; E364-L366 PolarHBondContact O-N 2.87Å; E364-L367 PolarHBondContact O-N 3.32Å; E364-S368 VanDerWaalsContact O-CB 3.28Å; E364-S368 WeakPolarHBondContact O-CB 3.48Å; E364-S368 PolarHBondContact O-N 3.27Å; E364-S368 PolarHBondContact O-OG 3.09Å; E364-R370 IonicContact OE1-NH2 2.69Å; E364-R370 PolarHBondContact OE1-NH2 2.99Å
365E95Very high93.7Very high38 Ų3875.4 Ų75.418%0.17838%0.375CS..Hα-helixtrans-57.9-44.4175.1-71.7170.7173.500111.7G361 S368 G369 R370 H375 Y379G361-E365 WeakPolarHBondContact O-CG 3.07Å; G361-E365 PolarHBondContact O-N 2.9Å; E365-S368 PolarHBondContact O-OG 2.69Å; E365-G369 PolarHBondContact O-N 2.96Å; E365-R370 CarbonylContact O-C 3.51Å; E365-R370 PolarHBondContact O-N 3.27Å; E365-H375 IonicContact OE1-CE1 3.82Å; E365-H375 PolarHBondContact OE1-CE1 3.44Å; E365-H375 IonicContact OE1-ND1 3.05Å; E365-H375 PolarHBondContact OE1-ND1 3.09Å; E365-H375 IonicContact OE2-CE1 3.09Å; E365-H375 IonicContact OE2-CG 2.71Å; E365-H375 IonicContact OE2-ND1 2.69Å; E365-H375 PolarHBondContact OE2-ND1 3.21Å; E365-Y379 HydrophobicContact CB-CE1 4.39Å; E365-Y379 WeakPolarHBondContact OE2-CE1 3.47Å; E365-Y379 PolarHBondContact OE2-OH 3.33Å
366L93.8Very high93.6Very high2 Ų278.5 Ų78.51%0.0139%0.388CS..Hα-helixtrans-67.1-45.9177.6-71.6172.3000112.5L362 R363 E364 G369 R371 Y379 F383 V385 I393 V395L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 3.48Å; L362-L366 VanDerWaalsContact O-N 3.09Å; R363-L366 PolarHBondContact O-N 3.05Å; E364-L366 VanDerWaalsContact C-N 3.32Å; E364-L366 PolarHBondContact O-N 2.87Å; L366-G369 PolarHBondContact O-N 2.61Å; L366-R371 HydrophobicContact CD2-CG 4.32Å; L366-Y379 HydrophobicContact CD1-CD1 3.78Å; L366-Y379 HydrophobicContact CD1-CE1 4.4Å; L366-Y379 HydrophobicContact CD1-CG 4.16Å; L366-Y379 HydrophobicContact CD2-CD1 3.87Å; L366-Y379 HydrophobicContact CD2-CD2 3.82Å; L366-Y379 HydrophobicContact CD2-CE1 4.16Å; L366-Y379 HydrophobicContact CD2-CE2 4.15Å; L366-Y379 HydrophobicContact CD2-CG 3.71Å; L366-Y379 HydrophobicContact CG-CD1 3.74Å; L366-Y379 HydrophobicContact CG-CE1 3.93Å; L366-Y379 HydrophobicContact CG-CG 4.11Å; L366-F383 HydrophobicContact CD1-CB 3.94Å; L366-F383 HydrophobicContact CD1-CD2 3.8Å; L366-F383 HydrophobicContact CD1-CE2 4.44Å; L366-F383 HydrophobicContact CD1-CG 3.83Å; L366-V385 HydrophobicContact CD1-CG2 3.86Å; L366-V385 HydrophobicContact CD2-CG2 3.96Å; L366-V385 HydrophobicContact CG-CG2 4.45Å; L366-I393 WeakPolarHBondContact O-CD1 3.43Å; L366-V395 HydrophobicContact CB-CG1 4.45Å; L366-V395 HydrophobicContact CB-CG2 3.65Å; L366-V395 HydrophobicContact CD1-CG1 3.85Å; L366-V395 HydrophobicContact CD1-CG2 4.38Å
367L92.6Very high93.5Very high87 Ų8784.7 Ų84.746%0.45541%0.413SS..Hα-helixtrans-69.1-33.6-178.8-72.9172.8000112.8R363 E364 G369 V395R363-L367 HydrophobicContact CG-CD1 3.9Å; R363-L367 HydrophobicContact CG-CG 4.39Å; R363-L367 WeakPolarHBondContact O-CB 3.4Å; R363-L367 WeakPolarHBondContact O-CG 3.33Å; R363-L367 PolarHBondContact O-N 2.85Å; E364-L367 PolarHBondContact O-N 3.32Å; L367-G369 VanDerWaalsContact C-N 3.29Å; L367-V395 HydrophobicContact CD2-CB 4.23Å; L367-V395 HydrophobicContact CD2-CG2 3.78Å; L367-V395 HydrophobicContact CG-CG2 4.04Å
368S91.7Very high93.3Very high55 Ų5581.8 Ų81.839%0.38539%0.389SS..THydrogen-bonded Turntrans-81.9-4.1177.261.70000113.8E364 E365 R370E364-S368 VanDerWaalsContact O-CB 3.28Å; E364-S368 WeakPolarHBondContact O-CB 3.48Å; E364-S368 PolarHBondContact O-N 3.27Å; E364-S368 PolarHBondContact O-OG 3.09Å; E365-S368 PolarHBondContact O-OG 2.69Å; S368-R370 PolarHBondContact O-N 2.89Å; S368-R370 PolarHBondContact OG-NE 2.94Å; S368-R370 PolarHBondContact OG-NH2 3.2Å
369G87.6Confident93.3Very high45 Ų4575.4 Ų75.446%0.46437%0.365SS..THydrogen-bonded Turntrans714.6-174.300000114.4E365 L366 L367 R371E365-G369 PolarHBondContact O-N 2.96Å; L366-G369 PolarHBondContact O-N 2.61Å; L367-G369 VanDerWaalsContact C-N 3.29Å; G369-R371 VanDerWaalsContact C-N 3.28Å; G369-R371 PolarHBondContact O-N 2.98Å; G369-R371 VanDerWaalsContact O-N 3.11Å
370R90.7Very high93.2Very high150 Ų15077 Ų7757%0.56638%0.384SS*.  trans-87.860.6-179.8-64.3-180-66.4175.52.4111.1E364 E365 S368E364-R370 IonicContact OE1-NH2 2.69Å; E364-R370 PolarHBondContact OE1-NH2 2.99Å; E365-R370 CarbonylContact O-C 3.51Å; E365-R370 PolarHBondContact O-N 3.27Å; S368-R370 PolarHBondContact O-N 2.89Å; S368-R370 PolarHBondContact OG-NE 2.94Å; S368-R370 PolarHBondContact OG-NH2 3.2Å
371R92.2Very high93.2Very high115 Ų11577 Ų7743%0.43438%0.381SS..  trans-65139.8179-62.5-176.3120.4-138.3-7.8110.6L366 G369 E376 Y379L366-R371 HydrophobicContact CD2-CG 4.32Å; G369-R371 VanDerWaalsContact C-N 3.28Å; G369-R371 PolarHBondContact O-N 2.98Å; G369-R371 VanDerWaalsContact O-N 3.11Å; R371-E376 IonicContact CZ-OE1 3.53Å; R371-E376 IonicContact CZ-OE2 2.92Å; R371-E376 VanDerWaalsContact NH1-CD 3.33Å; R371-E376 IonicContact NH1-OE1 3.03Å; R371-E376 PolarHBondContact NH1-OE1 3.44Å; R371-E376 IonicContact NH1-OE2 3.51Å; R371-E376 PolarHBondContact NH1-OE2 3.15Å; R371-E376 VanDerWaalsContact NH1-OE2 3.14Å; R371-E376 IonicContact NH2-OE1 3.84Å; R371-E376 PolarHBondContact NH2-OE1 3.32Å; R371-E376 VanDerWaalsContact NH2-OE1 3.14Å; R371-E376 IonicContact NH2-OE2 3.33Å; R371-Y379 HydrophobicContact CB-CE2 4.13Å; R371-Y379 HydrophobicContact CG-CE2 4.32Å
372V92.5Very high93.2Very high48 Ų4875.9 Ų75.929%0.29137%0.368SS..  trans-114.9122.9177.3-171.80000108.7R374 H375 Y379V372-R374 HydrophobicContact CG1-CG 3.77Å; V372-R374 PolarHBondContact O-N 3.23Å; V372-H375 HydrophobicContact CB-CB 4.42Å; V372-H375 WeakPolarHBondContact O-CA 3.25Å; V372-H375 WeakPolarHBondContact O-CB 3.46Å; V372-H375 PolarHBondContact O-N 3.17Å; V372-Y379 PolarHBondContact N-OH 3.09Å; V372-Y379 VanDerWaalsContact N-OH 3.1Å
373D91.8Very high93.2Very high152 Ų15276.1 Ų76.181%0.81337%0.368SS*.G310 helixtrans-50.1-40.4-175.3-66-14.6000113.4H375 E376D373-H375 PolarHBondContact O-N 3.24Å; D373-H375 VanDerWaalsContact O-N 3.16Å; D373-E376 WeakPolarHBondContact O-CB 3.05Å; D373-E376 PolarHBondContact O-N 3.03Å
374R92.4Very high93.1Very high201 Ų20174 Ų7476%0.75836%0.364SS*.G310 helixtrans-65.4-18.5-179.782.9-164.3179176.7-6.7113.6V372V372-R374 HydrophobicContact CG1-CG 3.77Å; V372-R374 PolarHBondContact O-N 3.23Å
375H94.5Very high93Very high38 Ų3871.2 Ų71.218%0.17636%0.355CS..G310 helixtrans-99-5.8-178.6-63.9170000113.1L362 E365 V372 D373 K377 A378 Y379L362-H375 HydrophobicContact CD2-CB 3.62Å; E365-H375 IonicContact OE1-CE1 3.82Å; E365-H375 PolarHBondContact OE1-CE1 3.44Å; E365-H375 IonicContact OE1-ND1 3.05Å; E365-H375 PolarHBondContact OE1-ND1 3.09Å; E365-H375 IonicContact OE2-CE1 3.09Å; E365-H375 IonicContact OE2-CG 2.71Å; E365-H375 IonicContact OE2-ND1 2.69Å; E365-H375 PolarHBondContact OE2-ND1 3.21Å; V372-H375 HydrophobicContact CB-CB 4.42Å; V372-H375 WeakPolarHBondContact O-CA 3.25Å; V372-H375 WeakPolarHBondContact O-CB 3.46Å; V372-H375 PolarHBondContact O-N 3.17Å; D373-H375 PolarHBondContact O-N 3.24Å; D373-H375 VanDerWaalsContact O-N 3.16Å; H375-K377 VanDerWaalsContact C-N 3.28Å; H375-K377 PolarHBondContact O-N 3.01Å; H375-K377 VanDerWaalsContact O-N 3.17Å; H375-A378 WeakPolarHBondContact O-CA 3.38Å; H375-A378 WeakPolarHBondContact O-CB 3.47Å; H375-A378 PolarHBondContact O-N 3.12Å; H375-Y379 HydrophobicContact CB-CD1 4.41Å; H375-Y379 HydrophobicContact CB-CE1 3.74Å; H375-Y379 HydrophobicContact CB-CE2 3.96Å; H375-Y379 VanDerWaalsContact CB-CZ 3.46Å; H375-Y379 WeakPolarHBondContact CB-OH 3.16Å; H375-Y379 PolarHBondContact O-N 2.78Å
376E92.3Very high92.8Very high79 Ų7977.8 Ų77.837%0.36938%0.378SS..Hα-helixtrans-56.9-40.3-173-165.561.4-147.900113R371 D373 A378 Y379 G380R371-E376 IonicContact CZ-OE1 3.53Å; R371-E376 IonicContact CZ-OE2 2.92Å; R371-E376 VanDerWaalsContact NH1-CD 3.33Å; R371-E376 IonicContact NH1-OE1 3.03Å; R371-E376 PolarHBondContact NH1-OE1 3.44Å; R371-E376 IonicContact NH1-OE2 3.51Å; R371-E376 PolarHBondContact NH1-OE2 3.15Å; R371-E376 VanDerWaalsContact NH1-OE2 3.14Å; R371-E376 IonicContact NH2-OE1 3.84Å; R371-E376 PolarHBondContact NH2-OE1 3.32Å; R371-E376 VanDerWaalsContact NH2-OE1 3.14Å; R371-E376 IonicContact NH2-OE2 3.33Å; D373-E376 WeakPolarHBondContact O-CB 3.05Å; D373-E376 PolarHBondContact O-N 3.03Å; E376-A378 VanDerWaalsContact C-N 3.29Å; E376-A378 PolarHBondContact O-N 2.74Å; E376-Y379 WeakPolarHBondContact O-CB 3.42Å; E376-Y379 PolarHBondContact O-N 3.16Å; E376-Y379 WeakPolarHBondContact OE2-CD2 3.37Å; E376-G380 PolarHBondContact O-N 3.04Å
377K92.9Very high92.4Very high180 Ų18085.2 Ų85.278%0.78341%0.412SS*.Hα-helixtrans-61.1-39.3174.9-173.4176.3-179.8177.60112.1H375 Q381H375-K377 VanDerWaalsContact C-N 3.28Å; H375-K377 PolarHBondContact O-N 3.01Å; H375-K377 VanDerWaalsContact O-N 3.17Å; K377-Q381 WeakPolarHBondContact O-CB 3.4Å; K377-Q381 PolarHBondContact O-N 3.27Å
378A92.9Very high92Very high6 Ų683.9 Ų83.95%0.0541%0.408CS..Hα-helixtrans-71.9-36.9178.700000111.3L362 H375 E376 Q381 F382L362-A378 HydrophobicContact CD1-CB 3.71Å; L362-A378 HydrophobicContact CD2-CB 4.21Å; H375-A378 WeakPolarHBondContact O-CA 3.38Å; H375-A378 WeakPolarHBondContact O-CB 3.47Å; H375-A378 PolarHBondContact O-N 3.12Å; E376-A378 VanDerWaalsContact C-N 3.29Å; E376-A378 PolarHBondContact O-N 2.74Å; A378-Q381 PolarHBondContact O-N 3.06Å; A378-F382 HydrophobicContact CB-CD2 4.49Å; A378-F382 WeakPolarHBondContact O-CD2 3.31Å; A378-F382 PolarHBondContact O-N 2.89Å
379Y94.8Very high91.4Very high2 Ų288.2 Ų88.21%0.00844%0.435CS..Hα-helixtrans-57.4-52172.4-56-33.3000110.9L362 E365 L366 R371 V372 H375 E376 Q381 F382 F383L362-Y379 HydrophobicContact CB-CD1 4.2Å; L362-Y379 HydrophobicContact CB-CE1 4.05Å; L362-Y379 HydrophobicContact CD2-CD1 3.89Å; L362-Y379 HydrophobicContact CD2-CE1 3.46Å; L362-Y379 VanDerWaalsContact CD2-CE1 3.46Å; L362-Y379 HydrophobicContact CG-CE1 4.34Å; E365-Y379 HydrophobicContact CB-CE1 4.39Å; E365-Y379 WeakPolarHBondContact OE2-CE1 3.47Å; E365-Y379 PolarHBondContact OE2-OH 3.33Å; L366-Y379 HydrophobicContact CD1-CD1 3.78Å; L366-Y379 HydrophobicContact CD1-CE1 4.4Å; L366-Y379 HydrophobicContact CD1-CG 4.16Å; L366-Y379 HydrophobicContact CD2-CD1 3.87Å; L366-Y379 HydrophobicContact CD2-CD2 3.82Å; L366-Y379 HydrophobicContact CD2-CE1 4.16Å; L366-Y379 HydrophobicContact CD2-CE2 4.15Å; L366-Y379 HydrophobicContact CD2-CG 3.71Å; L366-Y379 HydrophobicContact CG-CD1 3.74Å; L366-Y379 HydrophobicContact CG-CE1 3.93Å; L366-Y379 HydrophobicContact CG-CG 4.11Å; R371-Y379 HydrophobicContact CB-CE2 4.13Å; R371-Y379 HydrophobicContact CG-CE2 4.32Å; V372-Y379 PolarHBondContact N-OH 3.09Å; V372-Y379 VanDerWaalsContact N-OH 3.1Å; H375-Y379 HydrophobicContact CB-CD1 4.41Å; H375-Y379 HydrophobicContact CB-CE1 3.74Å; H375-Y379 HydrophobicContact CB-CE2 3.96Å; H375-Y379 VanDerWaalsContact CB-CZ 3.46Å; H375-Y379 WeakPolarHBondContact CB-OH 3.16Å; H375-Y379 PolarHBondContact O-N 2.78Å; E376-Y379 WeakPolarHBondContact O-CB 3.42Å; E376-Y379 PolarHBondContact O-N 3.16Å; E376-Y379 WeakPolarHBondContact OE2-CD2 3.37Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.32Å; Y379-F382 PolarHBondContact O-N 3.37Å; Y379-F383 WeakPolarHBondContact O-CA 3.3Å; Y379-F383 WeakPolarHBondContact O-CB 3.28Å; Y379-F383 PolarHBondContact O-N 3.09Å
380G93.5Very high90.9Very high43 Ų4396 Ų9644%0.44346%0.456SS..Hα-helixtrans-62.9-32.7178.900000113.6E376 K398E376-G380 PolarHBondContact O-N 3.04Å; G380-K398 PolarHBondContact O-NZ 3.49Å
381Q94.4Very high90.1Very high99 Ų9999 Ų9946%0.46347%0.467SS..Hα-helixtrans-70.9-46.1178.8-178175.93.100112.6K377 A378 Y379 K398 A401K377-Q381 WeakPolarHBondContact O-CB 3.4Å; K377-Q381 PolarHBondContact O-N 3.27Å; A378-Q381 PolarHBondContact O-N 3.06Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.32Å; Q381-K398 WeakPolarHBondContact O-CD 3.38Å; Q381-A401 WeakPolarHBondContact O-CB 3.46Å
382F95.8Very high89.8Confident6 Ų695.2 Ų95.23%0.02646%0.464CS..Hα-helixtrans-106.6-13.1-168.1-66.3-69.9000114.7L355 L359 A378 Y379 I397 K398 A401 V402 A405L355-F382 HydrophobicContact CD1-CZ 4.32Å; L359-F382 HydrophobicContact CD2-CB 3.59Å; L359-F382 HydrophobicContact CD2-CD1 3.86Å; L359-F382 HydrophobicContact CD2-CD2 3.89Å; L359-F382 HydrophobicContact CD2-CG 3.51Å; A378-F382 HydrophobicContact CB-CD2 4.49Å; A378-F382 WeakPolarHBondContact O-CD2 3.31Å; A378-F382 PolarHBondContact O-N 2.89Å; Y379-F382 PolarHBondContact O-N 3.37Å; F382-I397 CarbonylContact O-C 3.47Å; F382-I397 WeakPolarHBondContact O-CA 3.34Å; F382-K398 PolarHBondContact O-N 2.82Å; F382-A401 HydrophobicContact CD1-CB 4.27Å; F382-V402 HydrophobicContact CD1-CG2 4.03Å; F382-A405 HydrophobicContact CE1-CB 4.14Å; F382-A405 HydrophobicContact CZ-CB 4.39Å
383F96.4Very high89.5Confident8 Ų895.4 Ų95.44%0.03546%0.462CS..EExtended strand (participates in β ladder)trans-131.9148.5-173.4-57.5-80.4000113.2L359 L362 R363 L366 Y379 V385 V395 K396 I397 K398L359-F383 HydrophobicContact CB-CZ 4.33Å; L359-F383 HydrophobicContact CD2-CE2 4.08Å; L359-F383 HydrophobicContact CD2-CZ 3.96Å; L359-F383 WeakPolarHBondContact O-CZ 3.48Å; L362-F383 HydrophobicContact CB-CE2 3.68Å; L362-F383 HydrophobicContact CB-CZ 4.23Å; L362-F383 HydrophobicContact CD1-CE2 4.22Å; R363-F383 HydrophobicContact CB-CE1 4.12Å; R363-F383 HydrophobicContact CB-CZ 4.12Å; L366-F383 HydrophobicContact CD1-CB 3.94Å; L366-F383 HydrophobicContact CD1-CD2 3.8Å; L366-F383 HydrophobicContact CD1-CE2 4.44Å; L366-F383 HydrophobicContact CD1-CG 3.83Å; Y379-F383 WeakPolarHBondContact O-CA 3.3Å; Y379-F383 WeakPolarHBondContact O-CB 3.28Å; Y379-F383 PolarHBondContact O-N 3.09Å; F383-V385 HydrophobicContact CB-CG2 4.33Å; F383-V395 HydrophobicContact CB-CG1 3.98Å; F383-V395 HydrophobicContact CD1-CG1 3.39Å; F383-V395 HydrophobicContact CE1-CG1 4.1Å; F383-V395 HydrophobicContact CG-CG1 3.86Å; F383-K396 CarbonylContact C-O 3.59Å; F383-K396 VanDerWaalsContact CA-O 3.28Å; F383-K396 WeakPolarHBondContact CA-O 3.44Å; F383-I397 HydrophobicContact CD1-CB 4.41Å; F383-I397 HydrophobicContact CD1-CG1 4.47Å; F383-I397 HydrophobicContact CE1-CB 4.39Å; F383-I397 HydrophobicContact CE1-CD1 4.5Å; F383-I397 HydrophobicContact CE1-CG1 4.22Å; F383-K398 VanDerWaalsContact O-CE 3.29Å; F383-K398 WeakPolarHBondContact O-CE 3.42Å
384E93.8Very high89.3Confident84 Ų8491.7 Ų91.739%0.39345%0.445SS..EExtended strand (participates in β ladder)trans-103.7115.5160.5-65.7179.4179.900107.7K396 K398E384-K396 HydrophobicContact CB-CB 4.37Å; E384-K396 PolarHBondContact N-O 2.81Å; E384-K396 PolarHBondContact O-N 2.69Å; E384-K398 HydrophobicContact CG-CD 4.36Å; E384-K398 VanDerWaalsContact CG-CE 3.46Å; E384-K398 HydrophobicContact CG-CG 3.97Å
385V92Very high89.3Confident57 Ų5783 Ų8335%0.34542%0.415SS..EExtended strand (participates in β ladder)trans-105.7128.1-179-173.50000108.5L366 F383 I393 T394L366-V385 HydrophobicContact CD1-CG2 3.86Å; L366-V385 HydrophobicContact CD2-CG2 3.96Å; L366-V385 HydrophobicContact CG-CG2 4.45Å; F383-V385 HydrophobicContact CB-CG2 4.33Å; V385-I393 HydrophobicContact CG1-CG2 3.77Å; V385-T394 WeakPolarHBondContact CA-O 3.39Å
386R89.6Confident89.3Confident177 Ų17787.5 Ų87.567%0.66843%0.434SS*.EExtended strand (participates in β ladder)trans-126129.7173.7-64.9-175.7-177.8-171.90.3109.1T394R386-T394 PolarHBondContact N-O 3.01Å; R386-T394 PolarHBondContact O-N 3.41Å
387E86.9Confident89.4Confident157 Ų15786.4 Ų86.473%0.73443%0.43SS*.EExtended strand (participates in β ladder)trans-112.8130.3175.5-170.8173.8-177.500109.2I393E387-I393 HydrophobicContact CG-CG1 4.3Å
388T83.1Confident89.6Confident60 Ų6081.2 Ų81.237%0.36841%0.407SS..EExtended strand (participates in β ladder)trans-133.2143.4174.963.60000110.2K390 R391 G392T388-K390 PolarHBondContact O-N 3.28Å; T388-R391 PolarHBondContact O-N 3.29Å; T388-R391 WeakPolarHBondContact OG1-CB 3.25Å; T388-R391 PolarHBondContact OG1-N 3.39Å; T388-G392 PolarHBondContact N-O 3.35Å; T388-G392 VanDerWaalsContact N-O 3.13Å; T388-G392 PolarHBondContact O-N 3.09Å
389P79Confident89.7Confident145 Ų14586.1 Ų86.194%0.94243%0.429SS*.THydrogen-bonded Turntrans-55.7-28.6-177.8-27.534.1000114.5
390K77.8Confident89.7Confident208 Ų20891.3 Ų91.390%0.90446%0.457SS*.THydrogen-bonded Turntrans-95.6-30-176.6-69.3-172.7177-1770114.9T388T388-K390 PolarHBondContact O-N 3.28Å
391R73.7Confident89.7Confident215 Ų21590.1 Ų90.181%0.81144%0.443SS*.THydrogen-bonded Turntrans-109-1.9-175.4-60.6-177.2173.4177.4-1.9113.8T388T388-R391 PolarHBondContact O-N 3.29Å; T388-R391 WeakPolarHBondContact OG1-CB 3.25Å; T388-R391 PolarHBondContact OG1-N 3.39Å
392G84.7Confident89.6Confident35 Ų3585.5 Ų85.536%0.36142%0.422SS..EExtended strand (participates in β ladder)trans66.1-150-173.300000112T388T388-G392 PolarHBondContact N-O 3.35Å; T388-G392 VanDerWaalsContact N-O 3.13Å; T388-G392 PolarHBondContact O-N 3.09Å
393I87.7Confident89.5Confident51 Ų5191.6 Ų91.626%0.26244%0.444SS..EExtended strand (participates in β ladder)trans-85.2121.3-177.6-55.4173000109.6L366 V385 E387 V395L366-I393 WeakPolarHBondContact O-CD1 3.43Å; V385-I393 HydrophobicContact CG1-CG2 3.77Å; E387-I393 HydrophobicContact CG-CG1 4.3Å; I393-V395 HydrophobicContact CG2-CG2 3.95Å
394T87.9Confident89.3Confident74 Ų7498.1 Ų98.145%0.45448%0.475SS..EExtended strand (participates in β ladder)trans-106.4128.7169.3-55.70000109.4V385 R386V385-T394 WeakPolarHBondContact CA-O 3.39Å; R386-T394 PolarHBondContact N-O 3.01Å; R386-T394 PolarHBondContact O-N 3.41Å
395V92.3Very high89.1Confident19 Ų1995.5 Ų95.512%0.11547%0.468CS..EExtended strand (participates in β ladder)trans-118.3116.8-179.5-176.90000108.8R363 L366 L367 F383 I393R363-V395 HydrophobicContact CG-CG1 4.42Å; L366-V395 HydrophobicContact CB-CG1 4.45Å; L366-V395 HydrophobicContact CB-CG2 3.65Å; L366-V395 HydrophobicContact CD1-CG1 3.85Å; L366-V395 HydrophobicContact CD1-CG2 4.38Å; L367-V395 HydrophobicContact CD2-CB 4.23Å; L367-V395 HydrophobicContact CD2-CG2 3.78Å; L367-V395 HydrophobicContact CG-CG2 4.04Å; F383-V395 HydrophobicContact CB-CG1 3.98Å; F383-V395 HydrophobicContact CD1-CG1 3.39Å; F383-V395 HydrophobicContact CE1-CG1 4.1Å; F383-V395 HydrophobicContact CG-CG1 3.86Å; I393-V395 HydrophobicContact CG2-CG2 3.95Å
396K93.7Very high89.1Confident133 Ų13397.3 Ų97.358%0.57847%0.468SS*.EExtended strand (participates in β ladder)trans-110.3135.4174.2-174.8-177.5177.4-170.40109.6F383 E384F383-K396 CarbonylContact C-O 3.59Å; F383-K396 VanDerWaalsContact CA-O 3.28Å; F383-K396 WeakPolarHBondContact CA-O 3.44Å; E384-K396 HydrophobicContact CB-CB 4.37Å; E384-K396 PolarHBondContact N-O 2.81Å; E384-K396 PolarHBondContact O-N 2.69Å
397I95Very high89.2Confident55 Ų5592.1 Ų92.128%0.28245%0.452SS..EExtended strand (participates in β ladder)trans-77.9140.7177.1-162.1166.1000111L359 F382 F383 E399 V402L359-I397 HydrophobicContact CD1-CD1 4.29Å; F382-I397 CarbonylContact O-C 3.47Å; F382-I397 WeakPolarHBondContact O-CA 3.34Å; F383-I397 HydrophobicContact CD1-CB 4.41Å; F383-I397 HydrophobicContact CD1-CG1 4.47Å; F383-I397 HydrophobicContact CE1-CB 4.39Å; F383-I397 HydrophobicContact CE1-CD1 4.5Å; F383-I397 HydrophobicContact CE1-CG1 4.22Å; I397-E399 HydrophobicContact CG2-CG 4.21Å; I397-E399 WeakPolarHBondContact CG2-OE1 3.2Å; I397-E399 PolarHBondContact O-N 2.75Å; I397-V402 HydrophobicContact CD1-CG2 3.71Å; I397-V402 HydrophobicContact CG1-CG2 3.8Å
398K96.2Very high89.5Confident72 Ų7286.8 Ų86.831%0.31343%0.428SS..  trans-86.387.7172.3-68.4178.2176.61760108.9G380 Q381 F382 F383 E384 D400 A401 V402G380-K398 PolarHBondContact O-NZ 3.49Å; Q381-K398 WeakPolarHBondContact O-CD 3.38Å; F382-K398 PolarHBondContact O-N 2.82Å; F383-K398 VanDerWaalsContact O-CE 3.29Å; F383-K398 WeakPolarHBondContact O-CE 3.42Å; E384-K398 HydrophobicContact CG-CD 4.36Å; E384-K398 VanDerWaalsContact CG-CE 3.46Å; E384-K398 HydrophobicContact CG-CG 3.97Å; K398-D400 PolarHBondContact O-N 2.97Å; K398-A401 HydrophobicContact CB-CB 4Å; K398-A401 WeakPolarHBondContact O-CB 3.36Å; K398-A401 PolarHBondContact O-N 2.89Å; K398-V402 PolarHBondContact O-N 3.36Å
399E94.9Very high90.1Very high109 Ų10985.2 Ų85.251%0.50942%0.417SS..Hα-helixtrans-52.3-39.2-175.7-68.2-65.2170.900113.6I397 A401 V402 R403I397-E399 HydrophobicContact CG2-CG 4.21Å; I397-E399 WeakPolarHBondContact CG2-OE1 3.2Å; I397-E399 PolarHBondContact O-N 2.75Å; E399-A401 PolarHBondContact O-N 3.26Å; E399-V402 PolarHBondContact O-N 2.86Å; E399-R403 WeakPolarHBondContact O-CB 3.41Å; E399-R403 PolarHBondContact O-N 3.21Å
400D95Very high90.8Very high111 Ų11178.3 Ų78.359%0.59437%0.372SS*.Hα-helixtrans-66.3-37179.5-63.7-34.4000112.4K398 R403 E404K398-D400 PolarHBondContact O-N 2.97Å; D400-R403 PolarHBondContact O-N 3.31Å; D400-R403 IonicContact OD1-CZ 3.96Å; D400-R403 IonicContact OD1-NH1 3.51Å; D400-R403 PolarHBondContact OD1-NH1 3.22Å; D400-R403 IonicContact OD1-NH2 3.57Å; D400-E404 WeakPolarHBondContact O-CB 3.49Å; D400-E404 PolarHBondContact O-N 2.91Å
401A93.2Very high91.8Very high18 Ų1868.7 Ų68.715%0.14933%0.33CS..Hα-helixtrans-68.7-36.4176.700000111.7Q381 F382 K398 E399 A405Q381-A401 WeakPolarHBondContact O-CB 3.46Å; F382-A401 HydrophobicContact CD1-CB 4.27Å; K398-A401 HydrophobicContact CB-CB 4Å; K398-A401 WeakPolarHBondContact O-CB 3.36Å; K398-A401 PolarHBondContact O-N 2.89Å; E399-A401 PolarHBondContact O-N 3.26Å; A401-A405 WeakPolarHBondContact O-CB 3.46Å; A401-A405 PolarHBondContact O-N 3.21Å
402V93.9Very high92.9Very high2 Ų260.2 Ų60.21%0.01230%0.299CS..Hα-helixtrans-66.6-45.8173179.50000110.2L355 L359 F382 I397 K398 E399 E404 A405 R406L355-V402 HydrophobicContact CD2-CG1 4.45Å; L359-V402 HydrophobicContact CD1-CG1 4.27Å; L359-V402 HydrophobicContact CD1-CG2 4.01Å; F382-V402 HydrophobicContact CD1-CG2 4.03Å; I397-V402 HydrophobicContact CD1-CG2 3.71Å; I397-V402 HydrophobicContact CG1-CG2 3.8Å; K398-V402 PolarHBondContact O-N 3.36Å; E399-V402 PolarHBondContact O-N 2.86Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 2.97Å; V402-A405 PolarHBondContact O-N 3.43Å; V402-R406 WeakPolarHBondContact O-CG 3.32Å; V402-R406 PolarHBondContact O-N 2.89Å
403R93.7Very high93.5Very high133 Ų13358.7 Ų58.750%0.50228%0.283SS..Hα-helixtrans-59.3-44.4177.4-165.1-176.6-55.8117.59.5111E399 D400 R406 Q407E399-R403 WeakPolarHBondContact O-CB 3.41Å; E399-R403 PolarHBondContact O-N 3.21Å; D400-R403 PolarHBondContact O-N 3.31Å; D400-R403 IonicContact OD1-CZ 3.96Å; D400-R403 IonicContact OD1-NH1 3.51Å; D400-R403 PolarHBondContact OD1-NH1 3.22Å; D400-R403 IonicContact OD1-NH2 3.57Å; R403-R406 PolarHBondContact O-N 2.98Å; R403-Q407 VanDerWaalsContact O-CG 3.29Å; R403-Q407 WeakPolarHBondContact O-CG 3.44Å; R403-Q407 PolarHBondContact O-N 2.91Å; R403-Q407 VanDerWaalsContact O-N 3.12Å
404E90.4Very high94Very high146 Ų14656.3 Ų56.368%0.68227%0.27SS*.Hα-helixtrans-62.8-42.6176.8-170.5-175.2175.600112.2D400 V402 R406 Q407D400-E404 WeakPolarHBondContact O-CB 3.49Å; D400-E404 PolarHBondContact O-N 2.91Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 2.97Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 3.07Å; E404-Q407 WeakPolarHBondContact O-CB 3.47Å; E404-Q407 PolarHBondContact O-N 3.41Å
405A89.6Confident94.5Very high29 Ų2952.8 Ų52.824%0.2425%0.249CC..Hα-helixtrans-60.6-44.6175.400000111.6L355 F382 A401 V402 Q407 L408 H409L355-A405 HydrophobicContact CD2-CB 4.01Å; F382-A405 HydrophobicContact CE1-CB 4.14Å; F382-A405 HydrophobicContact CZ-CB 4.39Å; A401-A405 WeakPolarHBondContact O-CB 3.46Å; A401-A405 PolarHBondContact O-N 3.21Å; V402-A405 PolarHBondContact O-N 3.43Å; A405-Q407 PolarHBondContact O-N 2.91Å; A405-L408 PolarHBondContact O-N 3.23Å; A405-H409 PolarHBondContact O-CD2 3.29Å; A405-H409 VanDerWaalsContact O-CD2 3.31Å
406R93.1Very high94.8Very high95 Ų9551.9 Ų51.936%0.35824%0.244SC..Hα-helixtrans-64.1-25.1178.3-71.2178.5179.6169.71.1113.6E352 L355 N356 V402 R403 E404 L408 H409E352-R406 IonicContact OE1-CZ 2.73Å; L355-R406 HydrophobicContact CD2-CG 3.99Å; N356-R406 PolarHBondContact OD1-NH2 3.05Å; V402-R406 WeakPolarHBondContact O-CG 3.32Å; V402-R406 PolarHBondContact O-N 2.89Å; R403-R406 PolarHBondContact O-N 2.98Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 3.07Å; R406-L408 PolarHBondContact O-N 3.2Å; R406-H409 WeakPolarHBondContact O-CB 3.26Å; R406-H409 PolarHBondContact O-N 3.19Å
407Q92.1Very high94.9Very high68 Ų6846 Ų4632%0.31822%0.219SC..THydrogen-bonded Turntrans-61.6-17.2179.2-74.2-44.2-39.200114.5R294 R403 E404 A405R294-Q407 PolarHBondContact NE-O 2.88Å; R294-Q407 VanDerWaalsContact NE-OE1 3.15Å; R294-Q407 PolarHBondContact NH2-O 2.81Å; R403-Q407 VanDerWaalsContact O-CG 3.29Å; R403-Q407 WeakPolarHBondContact O-CG 3.44Å; R403-Q407 PolarHBondContact O-N 2.91Å; R403-Q407 VanDerWaalsContact O-N 3.12Å; E404-Q407 WeakPolarHBondContact O-CB 3.47Å; E404-Q407 PolarHBondContact O-N 3.41Å; A405-Q407 PolarHBondContact O-N 2.91Å
408L92.7Very high95Very high45 Ų4546.6 Ų46.624%0.23622%0.22CC..THydrogen-bonded Turntrans-103.6-3.4177.5-61.1179.4000113.1R287 I290 A405 R406 F411R287-L408 HydrophobicContact CG-CD2 4.35Å; I290-L408 HydrophobicContact CD1-CD2 4.11Å; I290-L408 HydrophobicContact CG2-CD2 4.32Å; A405-L408 PolarHBondContact O-N 3.23Å; R406-L408 PolarHBondContact O-N 3.2Å; L408-F411 WeakPolarHBondContact O-CB 3.49Å; L408-F411 PolarHBondContact O-N 3.07Å
409H94.7Very high95Very high27 Ų2743.4 Ų43.413%0.12521%0.206CC..THydrogen-bonded Turntrans-64.6141.2-178-72.2-164.6000111.3Y343 A348 E351 E352 A405 R406 F411Y343-H409 WeakPolarHBondContact CE2-O 2.95Å; A348-H409 HydrophobicContact CB-CB 4.37Å; E351-H409 VanDerWaalsContact C-CE1 3.45Å; E351-H409 HydrophobicContact CB-CB 4.28Å; E351-H409 PolarHBondContact O-CE1 3.24Å; E351-H409 VanDerWaalsContact OE2-CA 3.24Å; E351-H409 WeakPolarHBondContact OE2-CA 3.32Å; E352-H409 PolarHBondContact N-ND1 2.87Å; A405-H409 PolarHBondContact O-CD2 3.29Å; A405-H409 VanDerWaalsContact O-CD2 3.31Å; R406-H409 WeakPolarHBondContact O-CB 3.26Å; R406-H409 PolarHBondContact O-N 3.19Å; H409-F411 WeakPolarHBondContact O-CD2 3.46Å; H409-F411 PolarHBondContact O-N 2.77Å
410G95.3Very high95.1Very high0 Ų044.4 Ų44.40%021%0.209CC..THydrogen-bonded Turntrans79.2-15-177.300000114.3Y343 S344 E351Y343-G410 WeakPolarHBondContact CA-O 3.07Å; S344-G410 PolarHBondContact N-O 3.14Å; S344-G410 WeakPolarHBondContact O-CA 3.34Å; E351-G410 PolarHBondContact OE2-N 2.96Å
411F97.1Very high95.1Very high5 Ų542.8 Ų42.82%0.02220%0.201CC..EExtended strand (participates in β ladder)trans-83.9142.6-178.2-70.2-84.3000112.5T281 I290 R294 I297 V341 Y342 Y343 L408 H409T281-F411 HydrophobicContact CG2-CB 4.11Å; T281-F411 WeakPolarHBondContact CG2-O 3.27Å; I290-F411 HydrophobicContact CD1-CB 3.8Å; I290-F411 HydrophobicContact CD1-CD1 4.3Å; I290-F411 HydrophobicContact CD1-CG 4.08Å; I290-F411 HydrophobicContact CG1-CB 4.39Å; I290-F411 HydrophobicContact CG1-CD1 3.95Å; I290-F411 HydrophobicContact CG1-CG 4.21Å; I290-F411 HydrophobicContact CG2-CD1 3.96Å; I290-F411 HydrophobicContact CG2-CD2 3.94Å; I290-F411 HydrophobicContact CG2-CE1 3.95Å; I290-F411 HydrophobicContact CG2-CE2 3.96Å; I290-F411 HydrophobicContact CG2-CG 3.95Å; I290-F411 HydrophobicContact CG2-CZ 3.96Å; R294-F411 HydrophobicContact CB-CZ 4.31Å; R294-F411 HydrophobicContact CG-CE2 4.42Å; R294-F411 HydrophobicContact CG-CZ 4.13Å; I297-F411 HydrophobicContact CD1-CE1 4.29Å; I297-F411 HydrophobicContact CG2-CE1 3.96Å; I297-F411 HydrophobicContact CG2-CZ 4.17Å; V341-F411 HydrophobicContact CG1-CD1 3.83Å; V341-F411 HydrophobicContact CG1-CE1 4.29Å; Y342-F411 VanDerWaalsContact O-CA 3.29Å; Y342-F411 WeakPolarHBondContact O-CA 3.28Å; Y342-F411 WeakPolarHBondContact O-CD1 3.36Å; Y343-F411 HydrophobicContact CD2-CD1 4.18Å; Y343-F411 AromaticContact CD2-CD2 3.93Å; Y343-F411 HydrophobicContact CD2-CD2 3.93Å; Y343-F411 AromaticContact CD2-CE1 3.94Å; Y343-F411 HydrophobicContact CD2-CE1 3.94Å; Y343-F411 AromaticContact CD2-CE2 3.66Å; Y343-F411 HydrophobicContact CD2-CE2 3.66Å; Y343-F411 HydrophobicContact CD2-CG 4.18Å; Y343-F411 AromaticContact CD2-CZ 3.66Å; Y343-F411 HydrophobicContact CD2-CZ 3.66Å; Y343-F411 HydrophobicContact CE2-CD2 4.37Å; Y343-F411 AromaticContact CE2-CE2 4Å; Y343-F411 HydrophobicContact CE2-CE2 4Å; Y343-F411 HydrophobicContact CE2-CZ 4.31Å; Y343-F411 HydrophobicContact CG-CE1 4.37Å; Y343-F411 HydrophobicContact CG-CZ 4.35Å; L408-F411 WeakPolarHBondContact O-CB 3.49Å; L408-F411 PolarHBondContact O-N 3.07Å; H409-F411 WeakPolarHBondContact O-CD2 3.46Å; H409-F411 PolarHBondContact O-N 2.77Å
412F97.2Very high95.3Very high38 Ų3842.7 Ų42.717%0.16720%0.198CC..EExtended strand (participates in β ladder)trans-147.9160.8164.961.8-81.5000109.5I309 Y342 K347 L426I309-F412 HydrophobicContact CD1-CZ 4.39Å; Y342-F412 VanDerWaalsContact CB-CE1 3.43Å; Y342-F412 VanDerWaalsContact CB-CE2 3.5Å; Y342-F412 HydrophobicContact CD1-CE2 4.4Å; Y342-F412 HydrophobicContact CD1-CZ 4.4Å; Y342-F412 AromaticContact CD2-CD2 3.63Å; Y342-F412 HydrophobicContact CD2-CD2 3.63Å; Y342-F412 AromaticContact CD2-CE2 3.35Å; Y342-F412 HydrophobicContact CD2-CE2 3.35Å; Y342-F412 HydrophobicContact CD2-CG 4.46Å; Y342-F412 AromaticContact CD2-CZ 4Å; Y342-F412 HydrophobicContact CD2-CZ 4Å; Y342-F412 HydrophobicContact CE2-CE2 4.17Å; Y342-F412 HydrophobicContact CG-CD2 4.11Å; Y342-F412 HydrophobicContact CG-CE1 4.33Å; Y342-F412 AromaticContact CG-CE2 3.49Å; Y342-F412 HydrophobicContact CG-CE2 3.49Å; Y342-F412 VanDerWaalsContact CG-CE2 3.49Å; Y342-F412 AromaticContact CG-CZ 3.63Å; Y342-F412 HydrophobicContact CG-CZ 3.63Å; Y342-F412 PolarHBondContact N-O 2.87Å; Y342-F412 PolarHBondContact O-N 2.77Å; Y342-F412 VanDerWaalsContact O-N 3.1Å; K347-F412 HydrophobicContact CD-CD1 4.22Å; F412-L426 HydrophobicContact CE2-CD1 3.89Å; F412-L426 HydrophobicContact CZ-CD1 4.41Å
413A98Very high95.4Very high2 Ų243.2 Ų43.22%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-141.8145.8-173.600000112.4V279 V286 L339 H340V279-A413 HydrophobicContact CG2-CB 3.71Å; V279-A413 PolarHBondContact N-O 3.2Å; V286-A413 HydrophobicContact CG1-CB 3.67Å; V286-A413 HydrophobicContact CG2-CB 4.49Å; L339-A413 HydrophobicContact CD1-CB 4.16Å; H340-A413 CarbonylContact O-C 3.53Å; H340-A413 WeakPolarHBondContact O-CA 3.47Å; H340-A413 WeakPolarHBondContact O-CB 2.85Å
414L98.4Very high95.4Very high1 Ų142.3 Ų42.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-120.5147.7172.3-57.2179.2000109.1I276 V277 A278 H340 Y342 L426 Y429I276-L414 HydrophobicContact CG2-CB 4.38Å; I276-L414 HydrophobicContact CG2-CD1 4.13Å; V277-L414 CarbonylContact O-C 3.51Å; V277-L414 WeakPolarHBondContact O-CA 3.33Å; A278-L414 HydrophobicContact CB-CD2 3.65Å; H340-L414 HydrophobicContact CB-CB 4.38Å; H340-L414 PolarHBondContact N-O 3.28Å; H340-L414 PolarHBondContact O-N 3.21Å; Y342-L414 HydrophobicContact CE2-CB 4.2Å; Y342-L414 HydrophobicContact CE2-CD1 3.88Å; Y342-L414 HydrophobicContact CE2-CG 3.78Å; L414-L426 HydrophobicContact CD1-CD1 4.32Å; L414-Y429 HydrophobicContact CD1-CD1 4.17Å; L414-Y429 HydrophobicContact CD1-CG 3.86Å; L414-Y429 HydrophobicContact CD2-CD1 3.88Å; L414-Y429 HydrophobicContact CD2-CD2 3.87Å; L414-Y429 HydrophobicContact CD2-CE1 4.1Å; L414-Y429 HydrophobicContact CD2-CE2 4.13Å; L414-Y429 HydrophobicContact CD2-CG 3.76Å; L414-Y429 HydrophobicContact CG-CG 4.49Å
415V98.3Very high95.7Very high1 Ų135.3 Ų35.31%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-115.9139.5167.4-61.80000110.2I265 F275 I276 V277 V279 F285 M337 Y338 L339I265-V415 HydrophobicContact CD1-CG2 4.38Å; F275-V415 HydrophobicContact CE2-CG2 4.22Å; I276-V415 CarbonylContact C-O 3.52Å; I276-V415 WeakPolarHBondContact CA-O 3.39Å; V277-V415 HydrophobicContact CB-CG2 4.02Å; V277-V415 PolarHBondContact N-O 3.27Å; V277-V415 PolarHBondContact O-N 3.35Å; V279-V415 HydrophobicContact CG1-CB 4.27Å; V279-V415 HydrophobicContact CG1-CG1 3.77Å; V279-V415 HydrophobicContact CG1-CG2 3.6Å; V279-V415 HydrophobicContact CG2-CG1 4.01Å; F285-V415 HydrophobicContact CE2-CG1 4.16Å; M337-V415 HydrophobicContact CE-CB 4.22Å; M337-V415 HydrophobicContact CE-CG1 3.91Å; M337-V415 HydrophobicContact CG-CB 4.22Å; M337-V415 HydrophobicContact SD-CB 3.82Å; M337-V415 HydrophobicContact SD-CG1 4.19Å; M337-V415 HydrophobicContact SD-CG2 4.2Å; Y338-V415 CarbonylContact O-C 3.57Å; Y338-V415 VanDerWaalsContact O-CA 3.29Å; Y338-V415 WeakPolarHBondContact O-CA 3.35Å; L339-V415 HydrophobicContact CD1-CG1 4.07Å
416S98Very high96Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-136.9154.2174.6-173.70000111.8F275 M337 Y338 E418 V419F275-S416 WeakPolarHBondContact O-CA 3.44Å; F275-S416 WeakPolarHBondContact O-CB 3.29Å; F275-S416 PolarHBondContact O-OG 2.97Å; M337-S416 WeakPolarHBondContact CG-O 3.46Å; Y338-S416 PolarHBondContact N-O 2.81Å; Y338-S416 PolarHBondContact O-N 3.17Å; S416-E418 PolarHBondContact OG-N 3.38Å; S416-V419 PolarHBondContact OG-N 2.95Å; S416-V419 VanDerWaalsContact OG-N 3.07Å
417N97.1Very high96Very high10 Ų1030.4 Ų30.45%0.05315%0.151CC..SBendtrans-110.15.3170.572.5-14.2000113.6Y269 H273 K274 F275Y269-N417 HydrophobicContact CE1-CB 3.81Å; Y269-N417 WeakPolarHBondContact OH-CB 3.2Å; H273-N417 PolarHBondContact O-ND2 3.23Å; K274-N417 WeakPolarHBondContact CA-OD1 3.3Å; F275-N417 HydrophobicContact CD1-CB 4.41Å; F275-N417 HydrophobicContact CE1-CB 3.87Å; F275-N417 VanDerWaalsContact CE1-ND2 3.35Å; F275-N417 WeakPolarHBondContact CE1-ND2 3.34Å; F275-N417 HydrophobicContact CE2-CB 4.3Å; F275-N417 HydrophobicContact CZ-CB 3.81Å; F275-N417 PolarHBondContact N-OD1 2.94Å; F275-N417 PolarHBondContact O-N 2.86Å
418E95.8Very high96Very high66 Ų6627.8 Ų27.831%0.30814%0.14SC..SBendtrans-129-54.8178.9-175.5177.6-115.600111.6Y175 K252 K274 S416 K420Y175-E418 PolarHBondContact OH-OE2 3.43Å; K252-E418 WeakPolarHBondContact CD-OE2 3.39Å; K252-E418 WeakPolarHBondContact CE-OE2 3.31Å; K252-E418 IonicContact NZ-OE1 3.68Å; K252-E418 PolarHBondContact NZ-OE1 3.25Å; K252-E418 IonicContact NZ-OE2 3.55Å; K252-E418 PolarHBondContact NZ-OE2 2.94Å; K274-E418 HydrophobicContact CB-CB 4.29Å; K274-E418 HydrophobicContact CD-CB 4.09Å; K274-E418 HydrophobicContact CG-CB 4.28Å; S416-E418 PolarHBondContact OG-N 3.38Å; E418-K420 PolarHBondContact O-N 3.19Å
419V96Very high96.1Very high5 Ų528 Ų283%0.0314%0.138CC..  trans-82.9113.8-172.4-172.20000110.1Y175 I276 Y338 H340 S416 D421 E424 A425Y175-V419 HydrophobicContact CE2-CG2 4.37Å; Y175-V419 WeakPolarHBondContact OH-CG2 3.26Å; I276-V419 HydrophobicContact CD1-CB 4.49Å; I276-V419 HydrophobicContact CD1-CG2 3.99Å; Y338-V419 WeakPolarHBondContact CD2-O 3.33Å; H340-V419 PolarHBondContact CE1-O 2.96Å; H340-V419 VanDerWaalsContact CE1-O 3.27Å; H340-V419 PolarHBondContact NE2-O 3.32Å; S416-V419 PolarHBondContact OG-N 2.95Å; S416-V419 VanDerWaalsContact OG-N 3.07Å; V419-D421 WeakPolarHBondContact CG1-O 3.34Å; V419-E424 HydrophobicContact CG1-CB 3.74Å; V419-E424 HydrophobicContact CG1-CG 3.78Å; V419-A425 HydrophobicContact CB-CB 4.19Å; V419-A425 HydrophobicContact CG1-CB 3.82Å
420K96.7Very high95.9Very high131 Ų13131.8 Ų31.857%0.5715%0.151SC*.  trans-87.6-32.2179.2-177.1-178.5175.3-169.20112.5S313 Y338 H340 E418S313-K420 PolarHBondContact OG-O 3.22Å; S313-K420 VanDerWaalsContact OG-O 3.06Å; Y338-K420 HydrophobicContact CD1-CB 4.19Å; Y338-K420 HydrophobicContact CD1-CG 3.98Å; Y338-K420 HydrophobicContact CD2-CB 4.33Å; Y338-K420 HydrophobicContact CE1-CB 3.96Å; Y338-K420 HydrophobicContact CE1-CD 4.13Å; Y338-K420 HydrophobicContact CE1-CG 3.77Å; Y338-K420 HydrophobicContact CE2-CB 4.1Å; Y338-K420 HydrophobicContact CG-CB 4.37Å; H340-K420 PolarHBondContact CE1-O 3.43Å; E418-K420 PolarHBondContact O-N 3.19Å
421D96.3Very high95.4Very high77 Ų7733 Ų3341%0.41216%0.163SC..  trans-75124.4179.2-177.169.1000110.4V419 I423 E424 A425V419-D421 WeakPolarHBondContact CG1-O 3.34Å; D421-I423 VanDerWaalsContact C-N 3.28Å; D421-I423 PolarHBondContact O-N 3Å; D421-I423 WeakPolarHBondContact OD2-CA 3.35Å; D421-I423 PolarHBondContact OD2-N 3.23Å; D421-E424 HydrophobicContact CB-CB 3.99Å; D421-E424 PolarHBondContact OD2-N 3.15Å; D421-A425 WeakPolarHBondContact O-CB 3.3Å; D421-A425 PolarHBondContact O-N 3.42Å
422P96.5Very high94.9Very high16 Ų1633 Ų3310%0.10416%0.163CC..Hα-helixtrans-65.5-32.7-178.525.5-32.8000111.8C311 H340 Y342 A425 L426C311-P422 HydrophobicContact CB-CB 4.25Å; C311-P422 HydrophobicContact CB-CG 4.34Å; H340-P422 HydrophobicContact CB-CB 4.26Å; Y342-P422 HydrophobicContact CE1-CB 3.99Å; Y342-P422 PolarHBondContact OH-O 2.53Å; P422-A425 PolarHBondContact O-N 2.84Å; P422-L426 WeakPolarHBondContact O-CB 3.32Å; P422-L426 PolarHBondContact O-N 3.5Å
423I95.5Very high94.3Very high12 Ų1234.4 Ų34.46%0.06217%0.173CC..Hα-helixtrans-76.3-39.7-176.5-53.9-55.9000111.7D304 Y307 C311 D421 A425 L426 G427D304-I423 HydrophobicContact CB-CD1 3.41Å; D304-I423 VanDerWaalsContact CB-CD1 3.41Å; D304-I423 HydrophobicContact CB-CG1 4.06Å; Y307-I423 HydrophobicContact CD2-CG2 3.87Å; Y307-I423 HydrophobicContact CE2-CG2 3.62Å; C311-I423 HydrophobicContact CB-CD1 4.03Å; D421-I423 VanDerWaalsContact C-N 3.28Å; D421-I423 PolarHBondContact O-N 3Å; D421-I423 WeakPolarHBondContact OD2-CA 3.35Å; D421-I423 PolarHBondContact OD2-N 3.23Å; I423-A425 VanDerWaalsContact C-N 3.35Å; I423-L426 PolarHBondContact O-N 3.48Å; I423-G427 PolarHBondContact O-N 2.91Å
424E94.6Very high93.5Very high114 Ų11436 Ų3653%0.53318%0.181SC..Hα-helixtrans-59.4-46.3169.8-172.3-175.9178.100110.9V419 D421 L426 G427 T428V419-E424 HydrophobicContact CG1-CB 3.74Å; V419-E424 HydrophobicContact CG1-CG 3.78Å; D421-E424 HydrophobicContact CB-CB 3.99Å; D421-E424 PolarHBondContact OD2-N 3.15Å; E424-L426 VanDerWaalsContact C-N 3.32Å; E424-L426 PolarHBondContact O-N 3.1Å; E424-G427 PolarHBondContact O-N 3.44Å; E424-T428 PolarHBondContact O-N 2.93Å
425A96.4Very high92.9Very high0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-62-40.9179.400000111.9H340 V419 D421 P422 I423 Y429H340-A425 VanDerWaalsContact CD2-CB 3.45Å; H340-A425 WeakPolarHBondContact CD2-CB 3.27Å; V419-A425 HydrophobicContact CB-CB 4.19Å; V419-A425 HydrophobicContact CG1-CB 3.82Å; D421-A425 WeakPolarHBondContact O-CB 3.3Å; D421-A425 PolarHBondContact O-N 3.42Å; P422-A425 PolarHBondContact O-N 2.84Å; I423-A425 VanDerWaalsContact C-N 3.35Å; A425-Y429 VanDerWaalsContact O-CB 3.31Å; A425-Y429 WeakPolarHBondContact O-CB 3.23Å; A425-Y429 PolarHBondContact O-N 3.02Å
426L96Very high92.4Very high1 Ų141 Ų411%0.00520%0.203CC..Hα-helixtrans-68.1-41175.7-176.361.5000112.3Y307 I309 Y342 F412 L414 P422 I423 E424 Y429 R430Y307-L426 HydrophobicContact CD2-CD2 3.72Å; Y307-L426 HydrophobicContact CD2-CG 4.35Å; Y307-L426 HydrophobicContact CE2-CD2 4.21Å; Y307-L426 HydrophobicContact CE2-CG 4.37Å; Y307-L426 HydrophobicContact CG-CD2 3.92Å; I309-L426 HydrophobicContact CD1-CD2 3.09Å; I309-L426 HydrophobicContact CG1-CD2 4.48Å; Y342-L426 HydrophobicContact CD1-CD2 4.1Å; Y342-L426 HydrophobicContact CE1-CB 3.86Å; Y342-L426 HydrophobicContact CE1-CD2 3.96Å; Y342-L426 HydrophobicContact CE1-CG 4.37Å; F412-L426 HydrophobicContact CE2-CD1 3.89Å; F412-L426 HydrophobicContact CZ-CD1 4.41Å; L414-L426 HydrophobicContact CD1-CD1 4.32Å; P422-L426 WeakPolarHBondContact O-CB 3.32Å; P422-L426 PolarHBondContact O-N 3.5Å; I423-L426 PolarHBondContact O-N 3.48Å; E424-L426 VanDerWaalsContact C-N 3.32Å; E424-L426 PolarHBondContact O-N 3.1Å; L426-Y429 PolarHBondContact O-N 3.32Å; L426-R430 HydrophobicContact CD1-CG 4.01Å; L426-R430 HydrophobicContact CG-CG 4.27Å; L426-R430 WeakPolarHBondContact O-CB 3.13Å; L426-R430 WeakPolarHBondContact O-CG 3.15Å; L426-R430 PolarHBondContact O-N 3.1Å
427G93Very high91.8Very high19 Ų1945.1 Ų45.120%0.19622%0.222CC..Hα-helixtrans-60.4-48177.800000111.9Y307 I423 E424 Y429 R430 G431Y307-G427 WeakPolarHBondContact OH-CA 3.09Å; I423-G427 PolarHBondContact O-N 2.91Å; E424-G427 PolarHBondContact O-N 3.44Å; G427-Y429 PolarHBondContact O-N 3.36Å; G427-R430 PolarHBondContact O-N 3.43Å; G427-G431 PolarHBondContact O-N 3.49Å
428T92.4Very high91.5Very high13 Ų1344.9 Ų44.98%0.0822%0.221CC..Hα-helixtrans-64.3-39.1174.3-68.30000112.3Y175 E215 V254 I276 E424 G431Y175-T428 HydrophobicContact CD1-CG2 3.96Å; Y175-T428 HydrophobicContact CD2-CG2 3.82Å; Y175-T428 HydrophobicContact CE2-CG2 4.42Å; Y175-T428 HydrophobicContact CG-CG2 3.58Å; E215-T428 VanDerWaalsContact OE1-CA 3.27Å; E215-T428 WeakPolarHBondContact OE1-CA 3.21Å; E215-T428 WeakPolarHBondContact OE1-CB 3.38Å; E215-T428 WeakPolarHBondContact OE1-CG2 3.45Å; E215-T428 PolarHBondContact OE1-OG1 3.39Å; V254-T428 HydrophobicContact CG2-CG2 3.66Å; I276-T428 HydrophobicContact CD1-CG2 3.6Å; E424-T428 PolarHBondContact O-N 2.93Å; T428-G431 PolarHBondContact O-N 2.72Å
429Y94.2Very high91.2Very high50 Ų5042.3 Ų42.320%0.19621%0.209CC..Hα-helixtrans-63.3-45.8175.4-178.8-104.2000112.4V254 D256 I276 A278 L414 A425 L426 G427 G431 K432V254-Y429 HydrophobicContact CG1-CD2 3.75Å; V254-Y429 HydrophobicContact CG1-CE2 4.47Å; D256-Y429 PolarHBondContact OD1-OH 2.84Å; I276-Y429 HydrophobicContact CG2-CD2 4.41Å; A278-Y429 HydrophobicContact CB-CE1 4.5Å; A278-Y429 HydrophobicContact CB-CE2 3.81Å; L414-Y429 HydrophobicContact CD1-CD1 4.17Å; L414-Y429 HydrophobicContact CD1-CG 3.86Å; L414-Y429 HydrophobicContact CD2-CD1 3.88Å; L414-Y429 HydrophobicContact CD2-CD2 3.87Å; L414-Y429 HydrophobicContact CD2-CE1 4.1Å; L414-Y429 HydrophobicContact CD2-CE2 4.13Å; L414-Y429 HydrophobicContact CD2-CG 3.76Å; L414-Y429 HydrophobicContact CG-CG 4.49Å; A425-Y429 VanDerWaalsContact O-CB 3.31Å; A425-Y429 WeakPolarHBondContact O-CB 3.23Å; A425-Y429 PolarHBondContact O-N 3.02Å; L426-Y429 PolarHBondContact O-N 3.32Å; G427-Y429 PolarHBondContact O-N 3.36Å; Y429-G431 VanDerWaalsContact C-N 3.29Å; Y429-G431 PolarHBondContact O-N 3.21Å; Y429-K432 WeakPolarHBondContact O-CB 3.4Å; Y429-K432 PolarHBondContact O-N 3.45Å
430R90.7Very high90.9Very high106 Ų10643.7 Ų43.740%0.422%0.223SC..Hα-helixtrans-68.6-26.7177.6-71.8-175.4179.7-166.35.2112.5L426 G427 K432 D433L426-R430 HydrophobicContact CD1-CG 4.01Å; L426-R430 HydrophobicContact CG-CG 4.27Å; L426-R430 WeakPolarHBondContact O-CB 3.13Å; L426-R430 WeakPolarHBondContact O-CG 3.15Å; L426-R430 PolarHBondContact O-N 3.1Å; G427-R430 PolarHBondContact O-N 3.43Å; R430-K432 PolarHBondContact O-N 2.87Å; R430-K432 VanDerWaalsContact O-N 3.08Å; R430-D433 VanDerWaalsContact O-CB 3.32Å; R430-D433 WeakPolarHBondContact O-CB 3.26Å; R430-D433 PolarHBondContact O-N 2.69Å
431G84.5Confident90.6Very high25 Ų2538.7 Ų38.726%0.25820%0.203SC..THydrogen-bonded Turntrans-57.9-18.9172.300000114.1G427 T428 Y429 D433 I434G427-G431 PolarHBondContact O-N 3.49Å; T428-G431 PolarHBondContact O-N 2.72Å; Y429-G431 VanDerWaalsContact C-N 3.29Å; Y429-G431 PolarHBondContact O-N 3.21Å; G431-D433 PolarHBondContact O-N 2.81Å; G431-D433 VanDerWaalsContact O-N 3.16Å; G431-I434 WeakPolarHBondContact O-CG1 3.44Å; G431-I434 PolarHBondContact O-N 3.32Å
432K86.6Confident90.3Very high7 Ų735.2 Ų35.23%0.0319%0.185CC..THydrogen-bonded Turntrans-58.2-20.3170.5174.4176.5165-83.30113.8A177 D179 V254 D256 Y429 R430 I434 V435 E436A177-K432 HydrophobicContact CB-CB 4.13Å; A177-K432 HydrophobicContact CB-CG 4.05Å; D179-K432 WeakPolarHBondContact OD2-CE 3.45Å; D179-K432 IonicContact OD2-NZ 3.27Å; D179-K432 PolarHBondContact OD2-NZ 2.97Å; V254-K432 HydrophobicContact CG1-CB 4.32Å; D256-K432 VanDerWaalsContact CG-CE 3.47Å; D256-K432 VanDerWaalsContact OD1-CE 3.3Å; D256-K432 WeakPolarHBondContact OD1-CE 3.48Å; D256-K432 IonicContact OD1-NZ 3.85Å; D256-K432 PolarHBondContact OD1-NZ 3.18Å; D256-K432 WeakPolarHBondContact OD2-CE 3.3Å; D256-K432 IonicContact OD2-NZ 3.84Å; D256-K432 PolarHBondContact OD2-NZ 3.29Å; Y429-K432 WeakPolarHBondContact O-CB 3.4Å; Y429-K432 PolarHBondContact O-N 3.45Å; R430-K432 PolarHBondContact O-N 2.87Å; R430-K432 VanDerWaalsContact O-N 3.08Å; K432-I434 PolarHBondContact O-N 3.15Å; K432-V435 HydrophobicContact CG-CG2 4.31Å; K432-V435 WeakPolarHBondContact O-CB 3.4Å; K432-V435 WeakPolarHBondContact O-CG2 3.44Å; K432-V435 PolarHBondContact O-N 3.17Å; K432-E436 IonicContact NZ-OE1 2.7Å
433D84.6Confident89.9Confident67 Ų6734.8 Ų34.836%0.35818%0.181SC..Hα-helixtrans-49.8-26.7176.6177.458.5000113.5R430 G431 V435 E436 K437R430-D433 VanDerWaalsContact O-CB 3.32Å; R430-D433 WeakPolarHBondContact O-CB 3.26Å; R430-D433 PolarHBondContact O-N 2.69Å; G431-D433 PolarHBondContact O-N 2.81Å; G431-D433 VanDerWaalsContact O-N 3.16Å; D433-V435 PolarHBondContact O-N 3Å; D433-E436 PolarHBondContact O-N 3.16Å; D433-E436 VanDerWaalsContact O-N 3.13Å; D433-K437 PolarHBondContact O-N 3.44Å; D433-K437 WeakPolarHBondContact OD2-CE 3.3Å; D433-K437 IonicContact OD2-NZ 2.83Å; D433-K437 PolarHBondContact OD2-NZ 3.16Å
434I83Confident89.5Confident36 Ų3638.8 Ų38.819%0.18520%0.199CC..Hα-helixtrans-54.8-38.1172-60.9170.3000111.8F213 G431 K432 A438F213-I434 HydrophobicContact CD1-CG2 4.13Å; G431-I434 WeakPolarHBondContact O-CG1 3.44Å; G431-I434 PolarHBondContact O-N 3.32Å; K432-I434 PolarHBondContact O-N 3.15Å; I434-A438 WeakPolarHBondContact O-CB 3.27Å; I434-A438 PolarHBondContact O-N 3.24Å
435V85.9Confident89.1Confident0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-69.2-39.9179.1-171.40000111.3A177 D179 F213 K432 D433 A438 F439A177-V435 HydrophobicContact CB-CG2 3.42Å; A177-V435 VanDerWaalsContact CB-CG2 3.42Å; D179-V435 HydrophobicContact CB-CG1 3.83Å; F213-V435 HydrophobicContact CB-CG2 3.81Å; F213-V435 HydrophobicContact CD2-CB 4.01Å; F213-V435 HydrophobicContact CD2-CG1 3.76Å; F213-V435 HydrophobicContact CD2-CG2 3.46Å; F213-V435 VanDerWaalsContact CD2-CG2 3.46Å; F213-V435 HydrophobicContact CE2-CB 4.26Å; F213-V435 HydrophobicContact CE2-CG1 3.77Å; F213-V435 HydrophobicContact CE2-CG2 4.21Å; F213-V435 HydrophobicContact CG-CG2 3.77Å; K432-V435 HydrophobicContact CG-CG2 4.31Å; K432-V435 WeakPolarHBondContact O-CB 3.4Å; K432-V435 WeakPolarHBondContact O-CG2 3.44Å; K432-V435 PolarHBondContact O-N 3.17Å; D433-V435 PolarHBondContact O-N 3Å; V435-A438 WeakPolarHBondContact O-CB 3.48Å; V435-A438 PolarHBondContact O-N 3.37Å; V435-F439 HydrophobicContact CG1-CD2 4.1Å; V435-F439 HydrophobicContact CG1-CE2 3.54Å; V435-F439 HydrophobicContact CG1-CZ 3.79Å; V435-F439 VanDerWaalsContact O-CD2 3.31Å; V435-F439 WeakPolarHBondContact O-CD2 3.21Å; V435-F439 WeakPolarHBondContact O-CG 3.18Å; V435-F439 PolarHBondContact O-N 3.07Å
436E86.1Confident88.8Confident105 Ų10536.6 Ų36.649%0.49119%0.186SC..Hα-helixtrans-64.9-44.8177.5-66.7-176.5-167.300110.9K432 D433 A438 F439 G440K432-E436 IonicContact NZ-OE1 2.7Å; D433-E436 PolarHBondContact O-N 3.16Å; D433-E436 VanDerWaalsContact O-N 3.13Å; E436-A438 VanDerWaalsContact C-N 3.27Å; E436-A438 PolarHBondContact O-N 3.45Å; E436-F439 PolarHBondContact O-N 3.48Å; E436-G440 PolarHBondContact O-N 2.95Å
437K86.8Confident88.3Confident88 Ų8837.8 Ų37.838%0.38319%0.193SC..Hα-helixtrans-57.6-40.7171.2-73.8169.5173.3155.30112D433 G440 N441D433-K437 PolarHBondContact O-N 3.44Å; D433-K437 WeakPolarHBondContact OD2-CE 3.3Å; D433-K437 IonicContact OD2-NZ 2.83Å; D433-K437 PolarHBondContact OD2-NZ 3.16Å; K437-G440 PolarHBondContact O-N 3.44Å; K437-N441 PolarHBondContact O-N 3.42Å
438A89.9Confident88Confident4 Ų436.9 Ų36.93%0.03318%0.183CC..Hα-helixtrans-68.8-36.9178.300000113F213 I434 V435 E436 G440 N441 L442 L470F213-A438 HydrophobicContact CE1-CB 3.54Å; F213-A438 HydrophobicContact CE2-CB 3.97Å; F213-A438 HydrophobicContact CZ-CB 3.12Å; I434-A438 WeakPolarHBondContact O-CB 3.27Å; I434-A438 PolarHBondContact O-N 3.24Å; V435-A438 WeakPolarHBondContact O-CB 3.48Å; V435-A438 PolarHBondContact O-N 3.37Å; E436-A438 VanDerWaalsContact C-N 3.27Å; E436-A438 PolarHBondContact O-N 3.45Å; A438-G440 VanDerWaalsContact C-N 3.32Å; A438-N441 PolarHBondContact O-N 2.83Å; A438-L442 PolarHBondContact O-N 2.87Å; A438-L470 HydrophobicContact CB-CD1 4.01Å; A438-L470 HydrophobicContact CB-CD2 4.18Å; A438-L470 HydrophobicContact CB-CG 4.4Å; A438-L470 WeakPolarHBondContact O-CD1 3.35Å
439F90.8Very high87.7Confident13 Ų1340.1 Ų40.16%0.05719%0.194CC..Hα-helixtrans-62.7-39.8169.5-68-46000112D179 S180 T181 L211 V435 E436 L442 K443D179-F439 HydrophobicContact CB-CE2 3.9Å; D179-F439 HydrophobicContact CB-CZ 4.24Å; S180-F439 VanDerWaalsContact C-CZ 3.41Å; S180-F439 WeakPolarHBondContact O-CE2 3.28Å; T181-F439 HydrophobicContact CG2-CB 4.49Å; T181-F439 HydrophobicContact CG2-CD1 3.32Å; T181-F439 HydrophobicContact CG2-CE1 3.51Å; T181-F439 HydrophobicContact CG2-CG 3.95Å; T181-F439 HydrophobicContact CG2-CZ 4.28Å; L211-F439 HydrophobicContact CB-CE1 4.22Å; L211-F439 HydrophobicContact CB-CZ 4.38Å; L211-F439 HydrophobicContact CD1-CD1 3.61Å; L211-F439 HydrophobicContact CD1-CE1 3.3Å; L211-F439 HydrophobicContact CD1-CZ 4.15Å; L211-F439 HydrophobicContact CG-CD1 4.39Å; L211-F439 HydrophobicContact CG-CE1 3.61Å; L211-F439 HydrophobicContact CG-CZ 4.26Å; V435-F439 HydrophobicContact CG1-CD2 4.1Å; V435-F439 HydrophobicContact CG1-CE2 3.54Å; V435-F439 HydrophobicContact CG1-CZ 3.79Å; V435-F439 VanDerWaalsContact O-CD2 3.31Å; V435-F439 WeakPolarHBondContact O-CD2 3.21Å; V435-F439 WeakPolarHBondContact O-CG 3.18Å; V435-F439 PolarHBondContact O-N 3.07Å; E436-F439 PolarHBondContact O-N 3.48Å; F439-L442 HydrophobicContact CD1-CD1 4.29Å; F439-L442 PolarHBondContact O-N 2.96Å; F439-K443 WeakPolarHBondContact O-CG 3.33Å; F439-K443 PolarHBondContact O-N 2.94Å
440G89.5Confident87.2Confident33 Ų3339.7 Ų39.734%0.3419%0.192SC..Hα-helixtrans-57.2-48.5171.600000112E436 K437 A438 L442 K443 E444E436-G440 PolarHBondContact O-N 2.95Å; K437-G440 PolarHBondContact O-N 3.44Å; A438-G440 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 2.83Å; G440-K443 PolarHBondContact O-N 2.96Å; G440-E444 WeakPolarHBondContact O-CB 3.46Å; G440-E444 PolarHBondContact O-N 3.23Å
441N89.6Confident86.9Confident26 Ų2634.9 Ų34.914%0.13917%0.174CC..Iπ-helixtrans-60.6-44.2176.8-75.9-22.2000112.9K437 A438 K443 R445 L446 L470 L473K437-N441 PolarHBondContact O-N 3.42Å; A438-N441 PolarHBondContact O-N 2.83Å; N441-K443 PolarHBondContact O-N 3.42Å; N441-R445 WeakPolarHBondContact O-CA 3.29Å; N441-R445 WeakPolarHBondContact O-CB 3.35Å; N441-R445 PolarHBondContact O-N 3.47Å; N441-R445 WeakPolarHBondContact OD1-CD 3.48Å; N441-L446 PolarHBondContact O-N 3.23Å; N441-L470 HydrophobicContact CB-CD1 3.95Å; N441-L473 HydrophobicContact CB-CD1 4.05Å
442L90.3Very high86.8Confident5 Ų539.9 Ų39.93%0.02620%0.195CC..Iπ-helixtrans-56-51.6174-81.4169.8000110.8L209 L211 A438 F439 G440 L446 C448 E466 L470L209-L442 HydrophobicContact CD2-CD1 3.84Å; L211-L442 HydrophobicContact CD1-CD1 3.75Å; A438-L442 PolarHBondContact O-N 2.87Å; F439-L442 HydrophobicContact CD1-CD1 4.29Å; F439-L442 PolarHBondContact O-N 2.96Å; G440-L442 PolarHBondContact O-N 2.83Å; L442-L446 HydrophobicContact CD2-CD1 3.92Å; L442-L446 CarbonylContact O-C 3.58Å; L442-C448 HydrophobicContact CB-CB 4.17Å; L442-C448 WeakPolarHBondContact O-CA 3.33Å; L442-C448 WeakPolarHBondContact O-CB 3.49Å; L442-C448 PolarHBondContact O-N 3.21Å; L442-E466 HydrophobicContact CD2-CB 4.06Å; L442-L470 HydrophobicContact CD1-CD2 3.69Å; L442-L470 HydrophobicContact CD2-CB 4.23Å; L442-L470 HydrophobicContact CD2-CD1 4.49Å; L442-L470 HydrophobicContact CD2-CD2 4.09Å; L442-L470 HydrophobicContact CG-CD1 4Å; L442-L470 HydrophobicContact CG-CD2 3.72Å; L442-L470 HydrophobicContact CG-CG 4.29Å
443K88.8Confident86.8Confident7 Ų740.2 Ų40.23%0.0320%0.198CC..Iπ-helixtrans-67.9-51.6-174.3-72.1-177-175.3-169.70112.1T181 S182 E200 F439 G440 N441 R449T181-K443 WeakPolarHBondContact OG1-CE 3.28Å; T181-K443 PolarHBondContact OG1-NZ 3.43Å; S182-K443 WeakPolarHBondContact O-CE 3.3Å; S182-K443 PolarHBondContact O-NZ 3.14Å; E200-K443 VanDerWaalsContact OE1-CD 3.26Å; E200-K443 WeakPolarHBondContact OE1-CD 3.39Å; E200-K443 IonicContact OE1-NZ 3.14Å; E200-K443 PolarHBondContact OE1-NZ 2.88Å; E200-K443 IonicContact OE2-NZ 2.98Å; E200-K443 PolarHBondContact OE2-NZ 2.83Å; F439-K443 WeakPolarHBondContact O-CG 3.33Å; F439-K443 PolarHBondContact O-N 2.94Å; G440-K443 PolarHBondContact O-N 2.96Å; N441-K443 PolarHBondContact O-N 3.42Å; K443-R449 HydrophobicContact CB-CG 3.75Å; K443-R449 HydrophobicContact CG-CG 4.29Å; K443-R449 WeakPolarHBondContact O-CG 3.34Å
444E85.8Confident86.7Confident95 Ų9541.6 Ų41.644%0.44421%0.213SC..Iπ-helixtrans-91.4-40.9-168.2-55.7-64.8-164.800114.1N121 G440 R449N121-E444 PolarHBondContact ND2-O 3.09Å; N121-E444 VanDerWaalsContact ND2-O 3.13Å; G440-E444 WeakPolarHBondContact O-CB 3.46Å; G440-E444 PolarHBondContact O-N 3.23Å; E444-R449 IonicContact OE1-CZ 3.4Å; E444-R449 VanDerWaalsContact OE1-CZ 3.25Å; E444-R449 IonicContact OE1-NE 3.15Å; E444-R449 PolarHBondContact OE1-NE 3.32Å; E444-R449 VanDerWaalsContact OE1-NE 3.16Å; E444-R449 IonicContact OE1-NH2 2.61Å; E444-R449 PolarHBondContact OE1-NH2 3Å; E444-R449 IonicContact OE2-CZ 3.27Å; E444-R449 IonicContact OE2-NE 2.69Å; E444-R449 PolarHBondContact OE2-NE 3.39Å; E444-R449 IonicContact OE2-NH2 3.75Å
445R87.3Confident86.9Confident68 Ų6841.6 Ų41.626%0.25722%0.217SC..Iπ-helixtrans-89-43.1-175.2-58.5178.592.180.20.1111.3N441 L473 E492N441-R445 WeakPolarHBondContact O-CA 3.29Å; N441-R445 WeakPolarHBondContact O-CB 3.35Å; N441-R445 PolarHBondContact O-N 3.47Å; N441-R445 WeakPolarHBondContact OD1-CD 3.48Å; R445-L473 HydrophobicContact CB-CD1 4.26Å; R445-E492 VanDerWaalsContact NH2-CA 3.32Å
446L90Very high87.1Confident1 Ų143.2 Ų43.21%0.00522%0.224CC..SBendtrans-93.712.7-174.7-57.1176.4000114L116 I117 N441 L442 C448 E466 A469 L470 L473L116-L446 HydrophobicContact CB-CD2 4.02Å; L116-L446 WeakPolarHBondContact O-CD2 3.44Å; I117-L446 HydrophobicContact CG1-CD2 4.18Å; N441-L446 PolarHBondContact O-N 3.23Å; L442-L446 HydrophobicContact CD2-CD1 3.92Å; L442-L446 CarbonylContact O-C 3.58Å; L446-C448 VanDerWaalsContact C-N 3.26Å; L446-C448 PolarHBondContact O-N 2.94Å; L446-E466 VanDerWaalsContact CB-OE2 3.26Å; L446-E466 WeakPolarHBondContact CB-OE2 3.31Å; L446-A469 HydrophobicContact CD1-CB 3.91Å; L446-A469 HydrophobicContact CD2-CB 3.72Å; L446-A469 HydrophobicContact CG-CB 4.48Å; L446-L470 HydrophobicContact CD1-CB 4.16Å; L446-L470 HydrophobicContact CD1-CD1 4.39Å; L446-L473 HydrophobicContact CD1-CD1 3.89Å; L446-L473 HydrophobicContact CD2-CD1 3.64Å; L446-L473 HydrophobicContact CD2-CG 4.45Å; L446-L473 HydrophobicContact CG-CD1 3.67Å
447N85.4Confident87.4Confident26 Ų2643.3 Ų43.314%0.13922%0.224CC..  trans56.135.4178.4-1622.8000114.5N121 R122N121-N447 WeakPolarHBondContact OD1-CA 3.37Å; N121-N447 WeakPolarHBondContact OD1-CB 3.44Å; N121-N447 PolarHBondContact OD1-OD1 2.85Å; R122-N447 PolarHBondContact O-ND2 3.4Å
448C86.9Confident87.6Confident0 Ų039.4 Ų39.40%021%0.208CC..  trans-96.28.8-178.3-156.40000112.9I183 L442 L446 R450 L451I183-C448 VanDerWaalsContact CG2-O 3.3Å; I183-C448 WeakPolarHBondContact CG2-O 3.41Å; L442-C448 HydrophobicContact CB-CB 4.17Å; L442-C448 WeakPolarHBondContact O-CA 3.33Å; L442-C448 WeakPolarHBondContact O-CB 3.49Å; L442-C448 PolarHBondContact O-N 3.21Å; L446-C448 VanDerWaalsContact C-N 3.26Å; L446-C448 PolarHBondContact O-N 2.94Å; C448-R450 VanDerWaalsContact C-N 3.27Å; C448-R450 PolarHBondContact O-N 2.98Å; C448-L451 VanDerWaalsContact SG-CD2 3.56Å
449R84.7Confident87.8Confident81 Ų8139.3 Ų39.331%0.30621%0.207SC..SBendtrans-60.7-37.3172.4-84.5-170.5172.1-65.5-4.3112.6E200 K443 E444E200-R449 IonicContact OE1-NH1 2.77Å; E200-R449 IonicContact OE1-NH2 2.86Å; E200-R449 IonicContact OE2-NH1 3.17Å; E200-R449 PolarHBondContact OE2-NH1 2.77Å; E200-R449 VanDerWaalsContact OE2-NH1 3.16Å; K443-R449 HydrophobicContact CB-CG 3.75Å; K443-R449 HydrophobicContact CG-CG 4.29Å; K443-R449 WeakPolarHBondContact O-CG 3.34Å; E444-R449 IonicContact OE1-CZ 3.4Å; E444-R449 VanDerWaalsContact OE1-CZ 3.25Å; E444-R449 IonicContact OE1-NE 3.15Å; E444-R449 PolarHBondContact OE1-NE 3.32Å; E444-R449 VanDerWaalsContact OE1-NE 3.16Å; E444-R449 IonicContact OE1-NH2 2.61Å; E444-R449 PolarHBondContact OE1-NH2 3Å; E444-R449 IonicContact OE2-CZ 3.27Å; E444-R449 IonicContact OE2-NE 2.69Å; E444-R449 PolarHBondContact OE2-NE 3.39Å; E444-R449 IonicContact OE2-NH2 3.75Å
450R85.2Confident87.9Confident41 Ų4141.8 Ų41.816%0.15522%0.221CC..SBendtrans-140116.6174.9-60.7-63.6-179.2-102.60107.1S184 Y186 D202 C448 L452S184-R450 WeakPolarHBondContact O-CD 3.15Å; S184-R450 PolarHBondContact OG-NH1 3.21Å; Y186-R450 HydrophobicContact CE2-CG 4.29Å; D202-R450 IonicContact OD1-NH2 2.93Å; D202-R450 IonicContact OD2-CZ 3.51Å; D202-R450 IonicContact OD2-NH1 2.65Å; D202-R450 PolarHBondContact OD2-NH1 3.16Å; D202-R450 IonicContact OD2-NH2 2.67Å; D202-R450 PolarHBondContact OD2-NH2 3.03Å; C448-R450 VanDerWaalsContact C-N 3.27Å; C448-R450 PolarHBondContact O-N 2.98Å; R450-L452 VanDerWaalsContact C-N 3.27Å; R450-L452 HydrophobicContact CB-CD2 4.15Å; R450-L452 HydrophobicContact CB-CG 4.26Å; R450-L452 PolarHBondContact O-N 3.49Å
451L83.1Confident88.2Confident5 Ų540.2 Ų40.23%0.02621%0.205CC..  trans-70.8-22.9-175-76.2159.9000113.4I183 I207 C448 A453 L459 K462 L463 E466I183-L451 HydrophobicContact CD1-CD1 4.38Å; I183-L451 HydrophobicContact CG2-CD1 4.03Å; I183-L451 HydrophobicContact CG2-CG 4.2Å; I207-L451 HydrophobicContact CD1-CD1 3.67Å; C448-L451 VanDerWaalsContact SG-CD2 3.56Å; L451-A453 PolarHBondContact O-N 3.38Å; L451-A453 VanDerWaalsContact O-N 3.16Å; L451-L459 HydrophobicContact CB-CD1 3.65Å; L451-L459 HydrophobicContact CD1-CD1 3.37Å; L451-L459 HydrophobicContact CD1-CG 4.38Å; L451-L459 HydrophobicContact CG-CD1 4.09Å; L451-K462 HydrophobicContact CD2-CD 3.9Å; L451-K462 HydrophobicContact CD2-CG 4.03Å; L451-K462 WeakPolarHBondContact O-CD 3.26Å; L451-K462 WeakPolarHBondContact O-CE 3.37Å; L451-K462 PolarHBondContact O-NZ 3.42Å; L451-L463 HydrophobicContact CD1-CD1 4.29Å; L451-L463 HydrophobicContact CD1-CD2 3.68Å; L451-L463 HydrophobicContact CD1-CG 3.89Å; L451-L463 HydrophobicContact CD2-CD2 4.04Å; L451-L463 HydrophobicContact CD2-CG 4.32Å; L451-E466 HydrophobicContact CD2-CG 4.43Å
452L83.4Confident88.4Confident130 Ų13039.9 Ų39.968%0.68120%0.202SC*.  trans51.835.3178.3-55.7176.9000113.4R450R450-L452 VanDerWaalsContact C-N 3.27Å; R450-L452 HydrophobicContact CB-CD2 4.15Å; R450-L452 HydrophobicContact CB-CG 4.26Å; R450-L452 PolarHBondContact O-N 3.49Å
453A85Confident88.6Confident13 Ų1339.9 Ų39.911%0.10720%0.202CC..  trans-93141.2175.500000110.9L451 L459L451-A453 PolarHBondContact O-N 3.38Å; L451-A453 VanDerWaalsContact O-N 3.16Å; A453-L459 HydrophobicContact CB-CB 3.87Å; A453-L459 HydrophobicContact CB-CD1 3.98Å
454S82.3Confident89Confident96 Ų9639.6 Ų39.667%0.67120%0.201SC*.SBendtrans-93.2-18.5-178.754.10000114.1
455S88.7Confident89.5Confident37 Ų3735.2 Ų35.226%0.25918%0.18SC..SBendtrans-132.4158.9178.795.60000111.8E457 S458 L459S455-E457 VanDerWaalsContact C-N 3.31Å; S455-E457 VanDerWaalsContact CB-OE2 3.27Å; S455-E457 WeakPolarHBondContact CB-OE2 3.36Å; S455-E457 PolarHBondContact O-N 3.46Å; S455-E457 PolarHBondContact OG-N 3.46Å; S455-E457 PolarHBondContact OG-OE2 3.13Å; S455-S458 PolarHBondContact O-N 2.86Å; S455-S458 PolarHBondContact OG-N 2.9Å; S455-S458 VanDerWaalsContact OG-N 3.16Å; S455-L459 WeakPolarHBondContact O-CB 3.39Å; S455-L459 PolarHBondContact O-N 2.81Å
456E90Very high89.8Confident33 Ų3332 Ų3215%0.15417%0.168CC..Hα-helixtrans-65.7-35.2178.9-74.6-75.2176.300111.9L190 K191 Q192 K225 L459 N460L190-E456 HydrophobicContact CD2-CB 4.5Å; L190-E456 HydrophobicContact CD2-CG 3.94Å; K191-E456 PolarHBondContact N-OE1 3.12Å; Q192-E456 PolarHBondContact N-OE1 2.97Å; K225-E456 IonicContact NZ-OE2 2.83Å; K225-E456 PolarHBondContact NZ-OE2 2.73Å; E456-L459 WeakPolarHBondContact O-CB 3.43Å; E456-L459 PolarHBondContact O-N 3.4Å; E456-N460 WeakPolarHBondContact O-CB 3.17Å; E456-N460 PolarHBondContact O-N 2.69Å; E456-N460 PolarHBondContact O-ND2 3.38Å; E456-N460 VanDerWaalsContact O-ND2 3.14Å
457E91.7Very high90.1Very high107 Ų10732.3 Ų32.350%0.517%0.17SC..Hα-helixtrans-65.1-49.1176.9-56.274.6-16300110.3A152 S455 L459 N460 G461A152-E457 HydrophobicContact CB-CB 4.13Å; S455-E457 VanDerWaalsContact C-N 3.31Å; S455-E457 VanDerWaalsContact CB-OE2 3.27Å; S455-E457 WeakPolarHBondContact CB-OE2 3.36Å; S455-E457 PolarHBondContact O-N 3.46Å; S455-E457 PolarHBondContact OG-N 3.46Å; S455-E457 PolarHBondContact OG-OE2 3.13Å; E457-L459 VanDerWaalsContact C-N 3.31Å; E457-L459 PolarHBondContact O-N 2.9Å; E457-N460 WeakPolarHBondContact O-CB 3.49Å; E457-N460 PolarHBondContact O-N 3.03Å; E457-G461 PolarHBondContact O-N 2.86Å
458S91.9Very high90.7Very high6 Ų631.1 Ų31.14%0.04216%0.163CC..Hα-helixtrans-64.1-37.3176.9-167.20000111.7S455 K462S455-S458 PolarHBondContact O-N 2.86Å; S455-S458 PolarHBondContact OG-N 2.9Å; S455-S458 VanDerWaalsContact OG-N 3.16Å; S458-K462 VanDerWaalsContact O-CB 3.27Å; S458-K462 WeakPolarHBondContact O-CB 3.45Å; S458-K462 PolarHBondContact O-N 2.98Å
459L92.3Very high91.1Very high3 Ų331.1 Ų31.12%0.01616%0.163CC..Hα-helixtrans-60-46.6173.5-176.676000111.5L190 K225 L451 A453 S455 E456 E457 L463L190-L459 HydrophobicContact CD1-CD1 4.25Å; L190-L459 HydrophobicContact CD1-CD2 4.12Å; L190-L459 HydrophobicContact CD2-CD2 4.45Å; K225-L459 HydrophobicContact CD-CD2 3.92Å; L451-L459 HydrophobicContact CB-CD1 3.65Å; L451-L459 HydrophobicContact CD1-CD1 3.37Å; L451-L459 HydrophobicContact CD1-CG 4.38Å; L451-L459 HydrophobicContact CG-CD1 4.09Å; A453-L459 HydrophobicContact CB-CB 3.87Å; A453-L459 HydrophobicContact CB-CD1 3.98Å; S455-L459 WeakPolarHBondContact O-CB 3.39Å; S455-L459 PolarHBondContact O-N 2.81Å; E456-L459 WeakPolarHBondContact O-CB 3.43Å; E456-L459 PolarHBondContact O-N 3.4Å; E457-L459 VanDerWaalsContact C-N 3.31Å; E457-L459 PolarHBondContact O-N 2.9Å; L459-L463 HydrophobicContact CG-CD1 4.42Å; L459-L463 WeakPolarHBondContact O-CB 3.33Å; L459-L463 WeakPolarHBondContact O-CG 3.49Å; L459-L463 PolarHBondContact O-N 3.27Å
460N93.7Very high91.6Very high64 Ų6427.3 Ų27.334%0.34215%0.149SC..Hα-helixtrans-62.9-48.1179.2-73.7-27.7000112.1K225 E456 E457 L463 F464K225-N460 WeakPolarHBondContact CE-OD1 3.21Å; K225-N460 PolarHBondContact NZ-OD1 2.97Å; E456-N460 WeakPolarHBondContact O-CB 3.17Å; E456-N460 PolarHBondContact O-N 2.69Å; E456-N460 PolarHBondContact O-ND2 3.38Å; E456-N460 VanDerWaalsContact O-ND2 3.14Å; E457-N460 WeakPolarHBondContact O-CB 3.49Å; E457-N460 PolarHBondContact O-N 3.03Å; N460-L463 PolarHBondContact O-N 3.33Å; N460-F464 PolarHBondContact O-N 2.94Å
461G95.2Very high92.1Very high0 Ų025.4 Ų25.40%014%0.142CC..Hα-helixtrans-66.1-40.6178.900000112.6F151 I154 E457 F464 V465F151-G461 VanDerWaalsContact O-CA 3.31Å; F151-G461 WeakPolarHBondContact O-CA 3.41Å; I154-G461 WeakPolarHBondContact CD1-O 3.45Å; E457-G461 PolarHBondContact O-N 2.86Å; G461-F464 WeakPolarHBondContact O-CB 3.14Å; G461-F464 PolarHBondContact O-N 3.49Å; G461-V465 VanDerWaalsContact O-CG2 3.31Å; G461-V465 WeakPolarHBondContact O-CG2 3.49Å; G461-V465 PolarHBondContact O-N 3.23Å
462K94.2Very high92.7Very high20 Ų2025.1 Ų25.19%0.08714%0.141CC..Hα-helixtrans-59-51.1174.3-175.8171.6174.9177.40110.3F151 L451 S458 F464 V465 E466F151-K462 HydrophobicContact CD2-CB 3.91Å; F151-K462 HydrophobicContact CD2-CG 4.42Å; F151-K462 HydrophobicContact CE2-CB 4.16Å; F151-K462 HydrophobicContact CE2-CD 4.39Å; F151-K462 HydrophobicContact CE2-CG 4.18Å; F151-K462 HydrophobicContact CG-CB 4.2Å; L451-K462 HydrophobicContact CD2-CD 3.9Å; L451-K462 HydrophobicContact CD2-CG 4.03Å; L451-K462 WeakPolarHBondContact O-CD 3.26Å; L451-K462 WeakPolarHBondContact O-CE 3.37Å; L451-K462 PolarHBondContact O-NZ 3.42Å; S458-K462 VanDerWaalsContact O-CB 3.27Å; S458-K462 WeakPolarHBondContact O-CB 3.45Å; S458-K462 PolarHBondContact O-N 2.98Å; K462-F464 PolarHBondContact O-N 3.38Å; K462-V465 PolarHBondContact O-N 3.46Å; K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 HydrophobicContact CG-CG 4.15Å; K462-E466 VanDerWaalsContact O-CG 3.28Å; K462-E466 WeakPolarHBondContact O-CG 3.48Å; K462-E466 PolarHBondContact O-N 3.44Å
463L95.1Very high93.3Very high4 Ų419 Ų192%0.02111%0.108CC..Hα-helixtrans-54.9-37.1176.3-78.6171.1000113.4I183 I207 L209 Y223 K225 L451 L459 N460 F467I183-L463 HydrophobicContact CD1-CD2 4.24Å; I207-L463 HydrophobicContact CD1-CD1 3.88Å; I207-L463 HydrophobicContact CD1-CD2 4.5Å; L209-L463 HydrophobicContact CD1-CD2 4.36Å; L209-L463 HydrophobicContact CD2-CD2 4.32Å; Y223-L463 HydrophobicContact CE2-CB 4.09Å; K225-L463 HydrophobicContact CB-CD1 4.11Å; K225-L463 HydrophobicContact CD-CD1 3.67Å; K225-L463 HydrophobicContact CG-CD1 4.01Å; L451-L463 HydrophobicContact CD1-CD1 4.29Å; L451-L463 HydrophobicContact CD1-CD2 3.68Å; L451-L463 HydrophobicContact CD1-CG 3.89Å; L451-L463 HydrophobicContact CD2-CD2 4.04Å; L451-L463 HydrophobicContact CD2-CG 4.32Å; L459-L463 HydrophobicContact CG-CD1 4.42Å; L459-L463 WeakPolarHBondContact O-CB 3.33Å; L459-L463 WeakPolarHBondContact O-CG 3.49Å; L459-L463 PolarHBondContact O-N 3.27Å; N460-L463 PolarHBondContact O-N 3.33Å; L463-F467 VanDerWaalsContact O-CB 3.26Å; L463-F467 WeakPolarHBondContact O-CB 3.36Å; L463-F467 PolarHBondContact O-N 2.88Å
464F96.5Very high93.7Very high2 Ų218.6 Ų18.61%0.00911%0.105CC..Hα-helixtrans-62.4-47.2174.1174.3-107.7000111.7L98 F102 I154 V159 F162 Y223 N460 G461 K462 F467 V468L98-F464 HydrophobicContact CD2-CE1 3.87Å; L98-F464 HydrophobicContact CD2-CZ 3.77Å; F102-F464 HydrophobicContact CD2-CE1 4.43Å; F102-F464 AromaticContact CE2-CE1 3.47Å; F102-F464 HydrophobicContact CE2-CE1 3.47Å; F102-F464 VanDerWaalsContact CE2-CE1 3.47Å; F102-F464 AromaticContact CE2-CZ 3.57Å; F102-F464 HydrophobicContact CE2-CZ 3.57Å; F102-F464 HydrophobicContact CZ-CD1 4.31Å; F102-F464 AromaticContact CZ-CE1 3.67Å; F102-F464 HydrophobicContact CZ-CE1 3.67Å; F102-F464 AromaticContact CZ-CZ 3.98Å; F102-F464 HydrophobicContact CZ-CZ 3.98Å; I154-F464 HydrophobicContact CD1-CD1 3.81Å; I154-F464 HydrophobicContact CG1-CD1 4.46Å; I154-F464 HydrophobicContact CG2-CB 4.25Å; I154-F464 HydrophobicContact CG2-CD1 4.07Å; I154-F464 HydrophobicContact CG2-CG 4.22Å; V159-F464 HydrophobicContact CB-CD2 4.27Å; V159-F464 HydrophobicContact CG1-CD2 3.96Å; V159-F464 HydrophobicContact CG1-CE2 4.48Å; V159-F464 HydrophobicContact CG2-CB 4.1Å; V159-F464 HydrophobicContact CG2-CD2 3.72Å; V159-F464 HydrophobicContact CG2-CE2 4.33Å; V159-F464 HydrophobicContact CG2-CG 3.9Å; F162-F464 HydrophobicContact CB-CE2 4Å; F162-F464 HydrophobicContact CB-CZ 4.14Å; F162-F464 AromaticContact CD1-CE2 3.66Å; F162-F464 HydrophobicContact CD1-CE2 3.66Å; F162-F464 HydrophobicContact CD1-CZ 4.09Å; F162-F464 HydrophobicContact CD2-CE2 4.49Å; F162-F464 HydrophobicContact CD2-CZ 4.12Å; F162-F464 HydrophobicContact CE1-CE2 4.25Å; F162-F464 AromaticContact CG-CE2 3.79Å; F162-F464 HydrophobicContact CG-CE2 3.79Å; F162-F464 AromaticContact CG-CZ 3.85Å; F162-F464 HydrophobicContact CG-CZ 3.85Å; Y223-F464 HydrophobicContact CE1-CD2 4.2Å; Y223-F464 WeakPolarHBondContact OH-CA 3.33Å; Y223-F464 WeakPolarHBondContact OH-CB 3.49Å; Y223-F464 PolarHBondContact OH-N 3.47Å; N460-F464 PolarHBondContact O-N 2.94Å; G461-F464 WeakPolarHBondContact O-CB 3.14Å; G461-F464 PolarHBondContact O-N 3.49Å; K462-F464 PolarHBondContact O-N 3.38Å; F464-F467 WeakPolarHBondContact O-CB 3.37Å; F464-F467 PolarHBondContact O-N 3.43Å; F464-V468 HydrophobicContact CD2-CG2 4.5Å; F464-V468 HydrophobicContact CE1-CG2 4.09Å; F464-V468 HydrophobicContact CE2-CG2 4.03Å; F464-V468 HydrophobicContact CZ-CG2 3.8Å; F464-V468 WeakPolarHBondContact O-CG2 3.44Å; F464-V468 PolarHBondContact O-N 2.97Å
465V95.8Very high94.2Very high2 Ų214.8 Ų14.81%0.0128%0.076CC..Hα-helixtrans-65.8-41.3179.7-173.90000111.3L109 I112 V113 L116 F151 I154 G461 K462 F467 V468 A469L109-V465 HydrophobicContact CD2-CG2 3.86Å; I112-V465 HydrophobicContact CB-CG1 4.2Å; I112-V465 HydrophobicContact CG2-CG1 3.66Å; V113-V465 HydrophobicContact CG2-CG1 3.67Å; L116-V465 HydrophobicContact CD1-CG1 3.82Å; F151-V465 HydrophobicContact CD1-CG2 3.85Å; F151-V465 HydrophobicContact CE1-CB 4.14Å; F151-V465 HydrophobicContact CE1-CG1 4.42Å; F151-V465 HydrophobicContact CE1-CG2 3.63Å; I154-V465 HydrophobicContact CD1-CG2 3.88Å; G461-V465 VanDerWaalsContact O-CG2 3.31Å; G461-V465 WeakPolarHBondContact O-CG2 3.49Å; G461-V465 PolarHBondContact O-N 3.23Å; K462-V465 PolarHBondContact O-N 3.46Å; V465-F467 VanDerWaalsContact C-N 3.3Å; V465-F467 PolarHBondContact O-N 2.97Å; V465-V468 PolarHBondContact O-N 3.29Å; V465-A469 PolarHBondContact O-N 2.89Å
466E95.3Very high94.5Very high1 Ų113 Ų131%0.0056%0.064CC..Hα-helixtrans-58.2-43.5172.4-62.3-63.5175.200111.4L442 L446 L451 K462 A469 L470L442-E466 HydrophobicContact CD2-CB 4.06Å; L446-E466 VanDerWaalsContact CB-OE2 3.26Å; L446-E466 WeakPolarHBondContact CB-OE2 3.31Å; L451-E466 HydrophobicContact CD2-CG 4.43Å; K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 HydrophobicContact CG-CG 4.15Å; K462-E466 VanDerWaalsContact O-CG 3.28Å; K462-E466 WeakPolarHBondContact O-CG 3.48Å; K462-E466 PolarHBondContact O-N 3.44Å; E466-A469 PolarHBondContact O-N 3.42Å; E466-L470 WeakPolarHBondContact O-CB 3.48Å; E466-L470 PolarHBondContact O-N 3.29Å
467F95.6Very high94.7Very high8 Ų812.2 Ų12.24%0.0356%0.06CC..Hα-helixtrans-62.5-42.8176.7171.7-99.3000111.8F162 L211 P220 F221 Y223 L463 F464 V465 L470 I471F162-F467 HydrophobicContact CE1-CE1 4.12Å; L211-F467 HydrophobicContact CD2-CD2 4.11Å; L211-F467 HydrophobicContact CD2-CE2 4.4Å; P220-F467 HydrophobicContact CB-CE2 3.75Å; P220-F467 HydrophobicContact CB-CZ 4.32Å; F221-F467 VanDerWaalsContact C-CZ 3.43Å; Y223-F467 HydrophobicContact CD1-CB 3.71Å; Y223-F467 AromaticContact CD1-CD1 3.7Å; Y223-F467 HydrophobicContact CD1-CD1 3.7Å; Y223-F467 AromaticContact CD1-CD2 3.58Å; Y223-F467 HydrophobicContact CD1-CD2 3.58Å; Y223-F467 HydrophobicContact CD1-CE1 4.21Å; Y223-F467 HydrophobicContact CD1-CE2 4.09Å; Y223-F467 AromaticContact CD1-CG 3.36Å; Y223-F467 HydrophobicContact CD1-CG 3.36Å; Y223-F467 HydrophobicContact CD1-CZ 4.41Å; Y223-F467 HydrophobicContact CE1-CB 3.94Å; Y223-F467 AromaticContact CE1-CD1 4Å; Y223-F467 HydrophobicContact CE1-CD1 4Å; Y223-F467 AromaticContact CE1-CG 3.91Å; Y223-F467 HydrophobicContact CE1-CG 3.91Å; Y223-F467 HydrophobicContact CG-CB 4.33Å; Y223-F467 HydrophobicContact CG-CD2 4.02Å; Y223-F467 HydrophobicContact CG-CG 4.15Å; L463-F467 VanDerWaalsContact O-CB 3.26Å; L463-F467 WeakPolarHBondContact O-CB 3.36Å; L463-F467 PolarHBondContact O-N 2.88Å; F464-F467 WeakPolarHBondContact O-CB 3.37Å; F464-F467 PolarHBondContact O-N 3.43Å; V465-F467 VanDerWaalsContact C-N 3.3Å; V465-F467 PolarHBondContact O-N 2.97Å; F467-L470 WeakPolarHBondContact O-CB 3.45Å; F467-L470 PolarHBondContact O-N 3.38Å; F467-I471 HydrophobicContact CD1-CD1 4.4Å; F467-I471 HydrophobicContact CE1-CD1 3.85Å; F467-I471 HydrophobicContact CE1-CG1 4.42Å; F467-I471 HydrophobicContact CZ-CD1 4.23Å; F467-I471 HydrophobicContact CZ-CG1 4.46Å; F467-I471 WeakPolarHBondContact O-CG1 3.48Å; F467-I471 PolarHBondContact O-N 3.28Å
468V96.8Very high94.6Very high1 Ų111.3 Ų11.31%0.0065%0.052CC..Hα-helixtrans-62.7-44.5175.9176.30000110.7I94 L98 V113 F162 F464 V465 L470 I471 Y472I94-V468 HydrophobicContact CG2-CG1 3.79Å; L98-V468 HydrophobicContact CD1-CG1 4.29Å; L98-V468 HydrophobicContact CD2-CG2 4.42Å; V113-V468 HydrophobicContact CG1-CG1 4.34Å; V113-V468 HydrophobicContact CG2-CB 3.99Å; V113-V468 HydrophobicContact CG2-CG1 3.76Å; F162-V468 HydrophobicContact CE1-CG2 4.16Å; F162-V468 HydrophobicContact CZ-CG2 4.02Å; F464-V468 HydrophobicContact CD2-CG2 4.5Å; F464-V468 HydrophobicContact CE1-CG2 4.09Å; F464-V468 HydrophobicContact CE2-CG2 4.03Å; F464-V468 HydrophobicContact CZ-CG2 3.8Å; F464-V468 WeakPolarHBondContact O-CG2 3.44Å; F464-V468 PolarHBondContact O-N 2.97Å; V465-V468 PolarHBondContact O-N 3.29Å; V468-L470 VanDerWaalsContact C-N 3.27Å; V468-L470 PolarHBondContact O-N 2.71Å; V468-I471 WeakPolarHBondContact O-CB 3.35Å; V468-I471 PolarHBondContact O-N 3.11Å; V468-I471 VanDerWaalsContact O-N 3.1Å; V468-Y472 HydrophobicContact CG1-CE2 4.05Å; V468-Y472 VanDerWaalsContact O-CD2 3.31Å; V468-Y472 WeakPolarHBondContact O-CD2 3.37Å
469A96.6Very high94.8Very high0 Ų012.5 Ų12.50%06%0.057CC..Hα-helixtrans-59.2-38.1175.400000112.5V113 L116 I117 L446 V465 E466 I471 Y472 L473V113-A469 HydrophobicContact CG1-CB 3.91Å; L116-A469 HydrophobicContact CB-CB 4.34Å; L116-A469 HydrophobicContact CD1-CB 4.47Å; I117-A469 HydrophobicContact CD1-CB 4.28Å; I117-A469 HydrophobicContact CG1-CB 4.07Å; L446-A469 HydrophobicContact CD1-CB 3.91Å; L446-A469 HydrophobicContact CD2-CB 3.72Å; L446-A469 HydrophobicContact CG-CB 4.48Å; V465-A469 PolarHBondContact O-N 2.89Å; E466-A469 PolarHBondContact O-N 3.42Å; A469-I471 VanDerWaalsContact C-N 3.28Å; A469-I471 PolarHBondContact O-N 3.32Å; A469-Y472 WeakPolarHBondContact O-CB 3.44Å; A469-Y472 PolarHBondContact O-N 2.69Å; A469-L473 PolarHBondContact O-N 2.83Å; A469-L473 VanDerWaalsContact O-N 3.11Å
470L95.6Very high94.9Very high1 Ų112.4 Ų12.41%0.0056%0.056CC..Hα-helixtrans-62.2-32.8175.9-171.363.1000113.1L211 F213 P220 A438 N441 L442 L446 E466 F467 V468 Y472 L473 A474L211-L470 HydrophobicContact CD1-CD2 3.82Å; F213-L470 HydrophobicContact CZ-CD2 3.95Å; P220-L470 HydrophobicContact CB-CD2 4.49Å; P220-L470 HydrophobicContact CG-CB 4.47Å; P220-L470 HydrophobicContact CG-CD2 4.09Å; P220-L470 HydrophobicContact CG-CG 4Å; A438-L470 HydrophobicContact CB-CD1 4.01Å; A438-L470 HydrophobicContact CB-CD2 4.18Å; A438-L470 HydrophobicContact CB-CG 4.4Å; A438-L470 WeakPolarHBondContact O-CD1 3.35Å; N441-L470 HydrophobicContact CB-CD1 3.95Å; L442-L470 HydrophobicContact CD1-CD2 3.69Å; L442-L470 HydrophobicContact CD2-CB 4.23Å; L442-L470 HydrophobicContact CD2-CD1 4.49Å; L442-L470 HydrophobicContact CD2-CD2 4.09Å; L442-L470 HydrophobicContact CG-CD1 4Å; L442-L470 HydrophobicContact CG-CD2 3.72Å; L442-L470 HydrophobicContact CG-CG 4.29Å; L446-L470 HydrophobicContact CD1-CB 4.16Å; L446-L470 HydrophobicContact CD1-CD1 4.39Å; E466-L470 WeakPolarHBondContact O-CB 3.48Å; E466-L470 PolarHBondContact O-N 3.29Å; F467-L470 WeakPolarHBondContact O-CB 3.45Å; F467-L470 PolarHBondContact O-N 3.38Å; V468-L470 VanDerWaalsContact C-N 3.27Å; V468-L470 PolarHBondContact O-N 2.71Å; L470-Y472 VanDerWaalsContact C-N 3.32Å; L470-Y472 PolarHBondContact O-N 2.95Å; L470-L473 PolarHBondContact O-N 3.01Å; L470-A474 WeakPolarHBondContact O-CB 3.33Å; L470-A474 PolarHBondContact O-N 2.98Å
471I95Very high94.7Very high0 Ų013.2 Ų13.20%06%0.058CC..Hα-helixtrans-62-42.9176.2-56.7172000110.4L92 I94 F162 L219 P220 F467 V468 A469 A474 Y475L92-I471 HydrophobicContact CD1-CG2 4Å; I94-I471 HydrophobicContact CD1-CB 4.07Å; I94-I471 HydrophobicContact CD1-CG2 3.66Å; I94-I471 HydrophobicContact CG1-CG2 4.48Å; F162-I471 HydrophobicContact CE1-CD1 4.12Å; F162-I471 HydrophobicContact CZ-CD1 4.25Å; L219-I471 HydrophobicContact CD2-CG2 4.42Å; P220-I471 HydrophobicContact CG-CG1 4Å; F467-I471 HydrophobicContact CD1-CD1 4.4Å; F467-I471 HydrophobicContact CE1-CD1 3.85Å; F467-I471 HydrophobicContact CE1-CG1 4.42Å; F467-I471 HydrophobicContact CZ-CD1 4.23Å; F467-I471 HydrophobicContact CZ-CG1 4.46Å; F467-I471 WeakPolarHBondContact O-CG1 3.48Å; F467-I471 PolarHBondContact O-N 3.28Å; V468-I471 WeakPolarHBondContact O-CB 3.35Å; V468-I471 PolarHBondContact O-N 3.11Å; V468-I471 VanDerWaalsContact O-N 3.1Å; A469-I471 VanDerWaalsContact C-N 3.28Å; A469-I471 PolarHBondContact O-N 3.32Å; I471-A474 PolarHBondContact O-N 2.98Å; I471-Y475 PolarHBondContact O-N 3.22Å; I471-Y475 VanDerWaalsContact O-N 3.13Å
472Y96Very high94.6Very high0 Ų017.5 Ų17.50%08%0.078CC..Hα-helixtrans-63.4-49.8175.8-72.2-89.8000111.6L85 I88 G89 I94 V113 I117 V468 A469 L470 A474 Y475 I476L85-Y472 HydrophobicContact CB-CD1 4.43Å; L85-Y472 HydrophobicContact CB-CE1 4.43Å; L85-Y472 HydrophobicContact CD2-CD1 3.87Å; L85-Y472 HydrophobicContact CD2-CG 4.32Å; L85-Y472 WeakPolarHBondContact O-CE1 3.41Å; I88-Y472 HydrophobicContact CB-CD1 3.89Å; I88-Y472 HydrophobicContact CB-CE1 4.06Å; I88-Y472 HydrophobicContact CG2-CD1 3.51Å; I88-Y472 HydrophobicContact CG2-CE1 3.9Å; I88-Y472 HydrophobicContact CG2-CG 4.42Å; G89-Y472 WeakPolarHBondContact CA-OH 3.23Å; I94-Y472 HydrophobicContact CD1-CD2 4.07Å; I94-Y472 HydrophobicContact CD1-CE1 4.27Å; I94-Y472 HydrophobicContact CD1-CE2 3.63Å; I94-Y472 HydrophobicContact CG2-CE2 3.98Å; V113-Y472 HydrophobicContact CG1-CD2 3.79Å; V113-Y472 HydrophobicContact CG1-CE2 3.8Å; I117-Y472 HydrophobicContact CD1-CD2 4.19Å; I117-Y472 HydrophobicContact CD1-CG 3.96Å; V468-Y472 HydrophobicContact CG1-CE2 4.05Å; V468-Y472 VanDerWaalsContact O-CD2 3.31Å; V468-Y472 WeakPolarHBondContact O-CD2 3.37Å; A469-Y472 WeakPolarHBondContact O-CB 3.44Å; A469-Y472 PolarHBondContact O-N 2.69Å; L470-Y472 VanDerWaalsContact C-N 3.32Å; L470-Y472 PolarHBondContact O-N 2.95Å; Y472-A474 VanDerWaalsContact C-N 3.28Å; Y472-A474 PolarHBondContact O-N 3.49Å; Y472-Y475 WeakPolarHBondContact O-CB 3.34Å; Y472-Y475 PolarHBondContact O-N 3.05Å; Y472-Y475 VanDerWaalsContact O-N 3.14Å; Y472-I476 WeakPolarHBondContact O-CG1 3.34Å; Y472-I476 PolarHBondContact O-N 3.42Å
473L95Very high94.6Very high1 Ų121.8 Ų21.81%0.00510%0.099CC..Hα-helixtrans-61.3-37.8179.2-67.9-173.6000112.2I117 N441 R445 L446 A469 L470 Y475 I476 N477 M491I117-L473 HydrophobicContact CG1-CD2 4.23Å; I117-L473 HydrophobicContact CG1-CG 4.32Å; I117-L473 HydrophobicContact CG2-CD2 3.84Å; N441-L473 HydrophobicContact CB-CD1 4.05Å; R445-L473 HydrophobicContact CB-CD1 4.26Å; L446-L473 HydrophobicContact CD1-CD1 3.89Å; L446-L473 HydrophobicContact CD2-CD1 3.64Å; L446-L473 HydrophobicContact CD2-CG 4.45Å; L446-L473 HydrophobicContact CG-CD1 3.67Å; A469-L473 PolarHBondContact O-N 2.83Å; A469-L473 VanDerWaalsContact O-N 3.11Å; L470-L473 PolarHBondContact O-N 3.01Å; L473-Y475 VanDerWaalsContact C-N 3.34Å; L473-Y475 PolarHBondContact O-N 3.18Å; L473-I476 PolarHBondContact O-N 3.25Å; L473-N477 VanDerWaalsContact O-CB 3.23Å; L473-N477 WeakPolarHBondContact O-CB 3.45Å; L473-N477 PolarHBondContact O-N 3.39Å; L473-M491 HydrophobicContact CD2-SD 3.8Å
474A93.3Very high94.6Very high5 Ų523 Ų234%0.04111%0.112CC..Hα-helixtrans-63.7-39.4176.500000111.9L219 P220 L470 I471 Y472 R478L219-A474 HydrophobicContact CD2-CB 3.92Å; P220-A474 HydrophobicContact CG-CB 4.34Å; L470-A474 WeakPolarHBondContact O-CB 3.33Å; L470-A474 PolarHBondContact O-N 2.98Å; I471-A474 PolarHBondContact O-N 2.98Å; Y472-A474 VanDerWaalsContact C-N 3.28Å; Y472-A474 PolarHBondContact O-N 3.49Å; A474-R478 WeakPolarHBondContact O-CB 3.48Å; A474-R478 PolarHBondContact O-N 3.29Å
475Y94.4Very high94.5Very high16 Ų1623.9 Ų23.96%0.06312%0.117CC..Hα-helixtrans-62.5-50.9174-178.3-90.8000111.9I88 K91 L92 I471 Y472 L473 N477 R478 K479 L527I88-Y475 HydrophobicContact CB-CD1 4.44Å; I88-Y475 HydrophobicContact CD1-CD1 3.68Å; I88-Y475 HydrophobicContact CD1-CE1 4.09Å; I88-Y475 HydrophobicContact CG1-CD1 3.69Å; I88-Y475 HydrophobicContact CG1-CE1 3.74Å; I88-Y475 HydrophobicContact CG2-CD1 3.9Å; I88-Y475 HydrophobicContact CG2-CE1 4.49Å; I88-Y475 HydrophobicContact CG2-CG 3.99Å; K91-Y475 HydrophobicContact CD-CE2 4.33Å; K91-Y475 WeakPolarHBondContact CD-OH 3.5Å; L92-Y475 HydrophobicContact CD1-CD2 4.03Å; L92-Y475 HydrophobicContact CD1-CG 4.21Å; L92-Y475 HydrophobicContact CD2-CD2 3.94Å; L92-Y475 HydrophobicContact CD2-CE2 4.23Å; L92-Y475 HydrophobicContact CG-CD2 4.3Å; I471-Y475 PolarHBondContact O-N 3.22Å; I471-Y475 VanDerWaalsContact O-N 3.13Å; Y472-Y475 WeakPolarHBondContact O-CB 3.34Å; Y472-Y475 PolarHBondContact O-N 3.05Å; Y472-Y475 VanDerWaalsContact O-N 3.14Å; L473-Y475 VanDerWaalsContact C-N 3.34Å; L473-Y475 PolarHBondContact O-N 3.18Å; Y475-N477 PolarHBondContact O-N 2.77Å; Y475-R478 PolarHBondContact O-N 3.45Å; Y475-K479 HydrophobicContact CD1-CG 4.27Å; Y475-K479 HydrophobicContact CE1-CG 3.82Å; Y475-K479 HydrophobicContact CE2-CG 4.49Å; Y475-K479 PolarHBondContact O-N 3.34Å; Y475-K479 WeakPolarHBondContact OH-CE 3.34Å; Y475-L527 PolarHBondContact OH-O 3.42Å
476I95Very high94.4Very high0 Ų028.4 Ų28.40%013%0.134CC..Hα-helixtrans-60.3-48.5180-62.2170.5000109.7L84 L85 I88 Y472 L473 R478 K479 M480 M491 L495 L527L84-I476 HydrophobicContact CD2-CD1 4.3Å; L85-I476 HydrophobicContact CD2-CD1 4.28Å; I88-I476 HydrophobicContact CD1-CD1 4.08Å; I88-I476 HydrophobicContact CD1-CG1 3.69Å; Y472-I476 WeakPolarHBondContact O-CG1 3.34Å; Y472-I476 PolarHBondContact O-N 3.42Å; L473-I476 PolarHBondContact O-N 3.25Å; I476-R478 VanDerWaalsContact C-N 3.3Å; I476-R478 PolarHBondContact O-N 3.16Å; I476-K479 PolarHBondContact O-N 3.22Å; I476-M480 HydrophobicContact CG2-CG 4.27Å; I476-M480 HydrophobicContact CG2-SD 3.97Å; I476-M480 WeakPolarHBondContact O-CB 3.27Å; I476-M480 VanDerWaalsContact O-CG 3.3Å; I476-M480 WeakPolarHBondContact O-CG 3.25Å; I476-M480 PolarHBondContact O-N 3.23Å; I476-M491 HydrophobicContact CB-CE 4.33Å; I476-M491 HydrophobicContact CG2-CE 4.14Å; I476-M491 HydrophobicContact CG2-CG 4.11Å; I476-M491 HydrophobicContact CG2-SD 4.48Å; I476-L495 HydrophobicContact CD1-CD2 4.12Å; I476-L527 HydrophobicContact CG2-CD2 4.33Å
477N92.7Very high94.4Very high15 Ų1537.4 Ų37.48%0.0817%0.173CC..Hα-helixtrans-54.6-47177.4177.657.1000111.7L473 Y475 M480 Q481 Y486 M491L473-N477 VanDerWaalsContact O-CB 3.23Å; L473-N477 WeakPolarHBondContact O-CB 3.45Å; L473-N477 PolarHBondContact O-N 3.39Å; Y475-N477 PolarHBondContact O-N 2.77Å; N477-M480 PolarHBondContact O-N 3.42Å; N477-Q481 PolarHBondContact ND2-NE2 3.23Å; N477-Q481 WeakPolarHBondContact O-CG 3.31Å; N477-Q481 PolarHBondContact O-N 3.09Å; N477-Q481 PolarHBondContact OD1-NE2 2.88Å; N477-Y486 WeakPolarHBondContact OD1-CE2 3.39Å; N477-Y486 PolarHBondContact OD1-OH 3.16Å; N477-M491 HydrophobicContact CB-CE 3.6Å
478R91.1Very high94.3Very high88 Ų8844 Ų4433%0.33220%0.204SC..Hα-helixtrans-61.6-48.1-179.9178.8177.4169.9-172.1-0.1111.4K216 S217 A474 Y475 I476 M480 Q481 E482K216-R478 PolarHBondContact O-NH1 3.33Å; K216-R478 PolarHBondContact O-NH2 2.95Å; S217-R478 VanDerWaalsContact CA-NH1 3.26Å; S217-R478 WeakPolarHBondContact O-CD 3.45Å; S217-R478 PolarHBondContact O-NH1 3.26Å; A474-R478 WeakPolarHBondContact O-CB 3.48Å; A474-R478 PolarHBondContact O-N 3.29Å; Y475-R478 PolarHBondContact O-N 3.45Å; I476-R478 VanDerWaalsContact C-N 3.3Å; I476-R478 PolarHBondContact O-N 3.16Å; R478-M480 VanDerWaalsContact C-N 3.33Å; R478-M480 PolarHBondContact O-N 3.29Å; R478-Q481 PolarHBondContact O-N 3.22Å; R478-E482 HydrophobicContact CG-CG 4.37Å; R478-E482 IonicContact CZ-OE1 3.28Å; R478-E482 VanDerWaalsContact CZ-OE1 3.24Å; R478-E482 IonicContact NE-OE1 2.81Å; R478-E482 PolarHBondContact NE-OE1 2.92Å; R478-E482 IonicContact NH2-OE1 3.35Å; R478-E482 PolarHBondContact NH2-OE1 3.13Å; R478-E482 WeakPolarHBondContact O-CG 3.44Å; R478-E482 PolarHBondContact O-N 2.82Å
479K94.6Very high94.2Very high32 Ų3246.3 Ų46.314%0.13921%0.213CC..Hα-helixtrans-63-40.1178.6-70.9-64.5-175178.40112.3Y475 I476 Q481 E482 Q483 L527 D528Y475-K479 HydrophobicContact CD1-CG 4.27Å; Y475-K479 HydrophobicContact CE1-CG 3.82Å; Y475-K479 HydrophobicContact CE2-CG 4.49Å; Y475-K479 PolarHBondContact O-N 3.34Å; Y475-K479 WeakPolarHBondContact OH-CE 3.34Å; I476-K479 PolarHBondContact O-N 3.22Å; K479-Q481 VanDerWaalsContact C-N 3.32Å; K479-Q481 PolarHBondContact O-N 3.02Å; K479-E482 IonicContact NZ-OE2 2.81Å; K479-E482 PolarHBondContact O-N 3.48Å; K479-Q483 WeakPolarHBondContact O-CB 3.47Å; K479-Q483 WeakPolarHBondContact O-CG 3.29Å; K479-Q483 PolarHBondContact O-N 2.74Å; K479-L527 HydrophobicContact CB-CD2 3.57Å; K479-L527 HydrophobicContact CG-CD2 4.48Å; K479-D528 HydrophobicContact CD-CB 4.38Å; K479-D528 IonicContact NZ-OD2 2.97Å; K479-D528 PolarHBondContact NZ-OD2 2.97Å
480M94.3Very high94Very high0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-61.8-38.2173.7-69.8-176.175.500112.8I476 N477 R478 G484 L485 Y486 Y489 M491 L494 L527I476-M480 HydrophobicContact CG2-CG 4.27Å; I476-M480 HydrophobicContact CG2-SD 3.97Å; I476-M480 WeakPolarHBondContact O-CB 3.27Å; I476-M480 VanDerWaalsContact O-CG 3.3Å; I476-M480 WeakPolarHBondContact O-CG 3.25Å; I476-M480 PolarHBondContact O-N 3.23Å; N477-M480 PolarHBondContact O-N 3.42Å; R478-M480 VanDerWaalsContact C-N 3.33Å; R478-M480 PolarHBondContact O-N 3.29Å; M480-G484 CarbonylContact O-C 3.45Å; M480-G484 PolarHBondContact O-N 3.05Å; M480-G484 VanDerWaalsContact O-N 3.09Å; M480-L485 HydrophobicContact CB-CB 4.12Å; M480-L485 HydrophobicContact CE-CB 4.17Å; M480-L485 HydrophobicContact CG-CB 4.19Å; M480-L485 HydrophobicContact CG-CD1 4.03Å; M480-L485 PolarHBondContact O-N 2.91Å; M480-Y486 HydrophobicContact CB-CD2 3.85Å; M480-Y486 HydrophobicContact CB-CE2 3.52Å; M480-Y486 HydrophobicContact CE-CD1 3.9Å; M480-Y486 HydrophobicContact CE-CE1 3.75Å; M480-Y486 HydrophobicContact CE-CG 4.39Å; M480-Y486 HydrophobicContact SD-CE1 4.16Å; M480-Y489 WeakPolarHBondContact CE-O 3.31Å; M480-M491 HydrophobicContact CE-CB 4.41Å; M480-M491 HydrophobicContact SD-CB 3.82Å; M480-M491 HydrophobicContact SD-CG 4.14Å; M480-L494 HydrophobicContact CE-CB 4.26Å; M480-L494 HydrophobicContact CE-CD1 3.95Å; M480-L494 HydrophobicContact CG-CD1 3.97Å; M480-L494 HydrophobicContact SD-CD1 3.95Å; M480-L527 HydrophobicContact CG-CD2 4.32Å
481Q91.3Very high93.9Very high81 Ų8149.8 Ų49.838%0.37923%0.234SC..Hα-helixtrans-68.3-48.5174.8-71.1175.90.200111.8N477 R478 K479 Q483 G484 Y486N477-Q481 PolarHBondContact ND2-NE2 3.23Å; N477-Q481 WeakPolarHBondContact O-CG 3.31Å; N477-Q481 PolarHBondContact O-N 3.09Å; N477-Q481 PolarHBondContact OD1-NE2 2.88Å; R478-Q481 PolarHBondContact O-N 3.22Å; K479-Q481 VanDerWaalsContact C-N 3.32Å; K479-Q481 PolarHBondContact O-N 3.02Å; Q481-Q483 VanDerWaalsContact C-N 3.29Å; Q481-Q483 PolarHBondContact O-N 2.96Å; Q481-G484 PolarHBondContact O-N 3.25Å; Q481-Y486 HydrophobicContact CG-CD2 3.97Å; Q481-Y486 HydrophobicContact CG-CE2 3.75Å
482E91.9Very high93.8Very high90 Ų9055.2 Ų55.242%0.42126%0.26SS..Hα-helixtrans-59.4-38.9-179.4-73.8176.2172.300112.2R478 K479R478-E482 HydrophobicContact CG-CG 4.37Å; R478-E482 IonicContact CZ-OE1 3.28Å; R478-E482 VanDerWaalsContact CZ-OE1 3.24Å; R478-E482 IonicContact NE-OE1 2.81Å; R478-E482 PolarHBondContact NE-OE1 2.92Å; R478-E482 IonicContact NH2-OE1 3.35Å; R478-E482 PolarHBondContact NH2-OE1 3.13Å; R478-E482 WeakPolarHBondContact O-CG 3.44Å; R478-E482 PolarHBondContact O-N 2.82Å; K479-E482 IonicContact NZ-OE2 2.81Å; K479-E482 PolarHBondContact O-N 3.48Å
483Q94.9Very high93.7Very high111 Ų11159.9 Ų59.952%0.51928%0.281SS..THydrogen-bonded Turntrans-92.50.2-179.7-60-56.4-45.500113.7K479 Q481 L485 A526K479-Q483 WeakPolarHBondContact O-CB 3.47Å; K479-Q483 WeakPolarHBondContact O-CG 3.29Å; K479-Q483 PolarHBondContact O-N 2.74Å; Q481-Q483 VanDerWaalsContact C-N 3.29Å; Q481-Q483 PolarHBondContact O-N 2.96Å; Q483-L485 HydrophobicContact CB-CD1 4.44Å; Q483-L485 HydrophobicContact CB-CG 4Å; Q483-L485 PolarHBondContact O-N 3.06Å; Q483-A526 HydrophobicContact CB-CB 4.36Å; Q483-A526 HydrophobicContact CG-CB 4.12Å; Q483-A526 WeakPolarHBondContact CG-O 2.97Å
484G94Very high93.8Very high29 Ų2959.9 Ų59.930%0.29928%0.281SS..THydrogen-bonded Turntrans6621.1-179.400000115M480 Q481 Y486 K487M480-G484 CarbonylContact O-C 3.45Å; M480-G484 PolarHBondContact O-N 3.05Å; M480-G484 VanDerWaalsContact O-N 3.09Å; Q481-G484 PolarHBondContact O-N 3.25Å; G484-Y486 PolarHBondContact O-N 2.82Å; G484-K487 WeakPolarHBondContact O-CG 3.47Å; G484-K487 PolarHBondContact O-N 3.08Å
485L95.3Very high93.9Very high21 Ų2160 Ų6011%0.1128%0.281CS..G310 helixtrans-63.6-23.7-176.5-67.3177.4000113.4M480 Q483 K487 E488 Y489 L494 L523 A526M480-L485 HydrophobicContact CB-CB 4.12Å; M480-L485 HydrophobicContact CE-CB 4.17Å; M480-L485 HydrophobicContact CG-CB 4.19Å; M480-L485 HydrophobicContact CG-CD1 4.03Å; M480-L485 PolarHBondContact O-N 2.91Å; Q483-L485 HydrophobicContact CB-CD1 4.44Å; Q483-L485 HydrophobicContact CB-CG 4Å; Q483-L485 PolarHBondContact O-N 3.06Å; L485-K487 PolarHBondContact O-N 3.19Å; L485-E488 PolarHBondContact O-N 3.1Å; L485-Y489 PolarHBondContact O-N 3.21Å; L485-L494 HydrophobicContact CD1-CD1 3.86Å; L485-L523 HydrophobicContact CD2-CD2 4.4Å; L485-A526 HydrophobicContact CD1-CB 3.9Å; L485-A526 HydrophobicContact CD2-CB 4.31Å; L485-A526 HydrophobicContact CG-CB 4.49Å
486Y94.1Very high93.9Very high96 Ų9663.7 Ų63.738%0.37630%0.302SS..G310 helixtrans-62.2-10.9176.6-78.2-63.5000114.8N477 M480 Q481 G484 E488 Y489 M491N477-Y486 WeakPolarHBondContact OD1-CE2 3.39Å; N477-Y486 PolarHBondContact OD1-OH 3.16Å; M480-Y486 HydrophobicContact CB-CD2 3.85Å; M480-Y486 HydrophobicContact CB-CE2 3.52Å; M480-Y486 HydrophobicContact CE-CD1 3.9Å; M480-Y486 HydrophobicContact CE-CE1 3.75Å; M480-Y486 HydrophobicContact CE-CG 4.39Å; M480-Y486 HydrophobicContact SD-CE1 4.16Å; Q481-Y486 HydrophobicContact CG-CD2 3.97Å; Q481-Y486 HydrophobicContact CG-CE2 3.75Å; G484-Y486 PolarHBondContact O-N 2.82Å; Y486-E488 VanDerWaalsContact C-N 3.32Å; Y486-Y489 WeakPolarHBondContact CA-O 3.44Å; Y486-M491 HydrophobicContact CE1-CB 4.46Å
487K93.9Very high94Very high190 Ų19065.4 Ų65.483%0.82631%0.31SS*.G310 helixtrans-73.2-26.2171.9-65.2177.6-178.7177.20112.9G484 L485G484-K487 WeakPolarHBondContact O-CG 3.47Å; G484-K487 PolarHBondContact O-N 3.08Å; L485-K487 PolarHBondContact O-N 3.19Å
488E94.6Very high94.2Very high147 Ų14764.7 Ų64.769%0.68731%0.306SS*.THydrogen-bonded Turntrans-117.7-32-173.1-66.5177.9-162.800112.4L485 Y486L485-E488 PolarHBondContact O-N 3.1Å; Y486-E488 VanDerWaalsContact C-N 3.32Å
489Y94Very high94.4Very high50 Ų5062 Ų6220%0.19630%0.297CS..  trans-133.1133.9-175.8-59.2-89.7000111.1M480 L485 Y486 E493 L523M480-Y489 WeakPolarHBondContact CE-O 3.31Å; L485-Y489 PolarHBondContact O-N 3.21Å; Y486-Y489 WeakPolarHBondContact CA-O 3.44Å; Y489-E493 HydrophobicContact CD1-CB 4.19Å; Y489-L523 HydrophobicContact CD2-CD2 4.25Å; Y489-L523 HydrophobicContact CE2-CD2 4.09Å
490T93.6Very high94.3Very high69 Ų6963.3 Ų63.342%0.42331%0.31SS..  trans-66.2159150.965.40000109.7E492 E493 L494T490-E492 PolarHBondContact O-N 3.23Å; T490-E493 WeakPolarHBondContact CB-OE2 3.25Å; T490-E493 WeakPolarHBondContact CG2-OE2 3.49Å; T490-E493 PolarHBondContact N-OE2 2.86Å; T490-E493 PolarHBondContact O-N 3.34Å; T490-E493 WeakPolarHBondContact OG1-CB 3.3Å; T490-E493 VanDerWaalsContact OG1-CD 3.26Å; T490-E493 VanDerWaalsContact OG1-CG 3.26Å; T490-E493 WeakPolarHBondContact OG1-CG 3.44Å; T490-E493 PolarHBondContact OG1-N 3.44Å; T490-E493 VanDerWaalsContact OG1-N 3.15Å; T490-E493 PolarHBondContact OG1-OE2 3.27Å; T490-L494 PolarHBondContact O-N 3.3Å
491M93.3Very high94.4Very high4 Ų463.4 Ų63.42%0.0231%0.311CS..Hα-helixtrans-59.7-28.9174.6179.1-173.4-68.300111.9L473 I476 N477 M480 Y486 L495L473-M491 HydrophobicContact CD2-SD 3.8Å; I476-M491 HydrophobicContact CB-CE 4.33Å; I476-M491 HydrophobicContact CG2-CE 4.14Å; I476-M491 HydrophobicContact CG2-CG 4.11Å; I476-M491 HydrophobicContact CG2-SD 4.48Å; N477-M491 HydrophobicContact CB-CE 3.6Å; M480-M491 HydrophobicContact CE-CB 4.41Å; M480-M491 HydrophobicContact SD-CB 3.82Å; M480-M491 HydrophobicContact SD-CG 4.14Å; Y486-M491 HydrophobicContact CE1-CB 4.46Å; M491-L495 HydrophobicContact CG-CD1 4.15Å; M491-L495 WeakPolarHBondContact O-CB 3.39Å; M491-L495 VanDerWaalsContact O-CG 3.27Å; M491-L495 WeakPolarHBondContact O-CG 3.41Å; M491-L495 PolarHBondContact O-N 2.97Å; M491-L495 VanDerWaalsContact O-N 3.11Å
492E92.2Very high94.6Very high115 Ų11562 Ų6254%0.53730%0.304SS..Hα-helixtrans-71.1-48.1179-167.7163.8177.200110.7R445 T490 L494 L495 L496R445-E492 VanDerWaalsContact NH2-CA 3.32Å; T490-E492 PolarHBondContact O-N 3.23Å; E492-L494 VanDerWaalsContact C-N 3.31Å; E492-L494 PolarHBondContact O-N 3.35Å; E492-L495 PolarHBondContact O-N 3.45Å; E492-L496 HydrophobicContact CG-CD1 4.11Å; E492-L496 WeakPolarHBondContact O-CB 3.28Å; E492-L496 WeakPolarHBondContact O-CG 3.35Å; E492-L496 PolarHBondContact O-N 2.77Å
493E95Very high94.7Very high98 Ų9857.8 Ų57.846%0.45828%0.284SS..Hα-helixtrans-60.2-40.8175.8-70.8160.7147.300111.9Y489 T490 L495 L496 E497Y489-E493 HydrophobicContact CD1-CB 4.19Å; T490-E493 WeakPolarHBondContact CB-OE2 3.25Å; T490-E493 WeakPolarHBondContact CG2-OE2 3.49Å; T490-E493 PolarHBondContact N-OE2 2.86Å; T490-E493 PolarHBondContact O-N 3.34Å; T490-E493 WeakPolarHBondContact OG1-CB 3.3Å; T490-E493 VanDerWaalsContact OG1-CD 3.26Å; T490-E493 VanDerWaalsContact OG1-CG 3.26Å; T490-E493 WeakPolarHBondContact OG1-CG 3.44Å; T490-E493 PolarHBondContact OG1-N 3.44Å; T490-E493 VanDerWaalsContact OG1-N 3.15Å; T490-E493 PolarHBondContact OG1-OE2 3.27Å; E493-L495 PolarHBondContact O-N 3.35Å; E493-L496 PolarHBondContact O-N 2.98Å; E493-E497 VanDerWaalsContact O-CB 3.27Å; E493-E497 WeakPolarHBondContact O-CB 3.31Å; E493-E497 PolarHBondContact O-N 2.81Å
494L96.3Very high94.5Very high0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-60.3-46.4175.2-177.4151.8000111.5M480 L485 T490 E492 E497 L498 L523 L527M480-L494 HydrophobicContact CE-CB 4.26Å; M480-L494 HydrophobicContact CE-CD1 3.95Å; M480-L494 HydrophobicContact CG-CD1 3.97Å; M480-L494 HydrophobicContact SD-CD1 3.95Å; L485-L494 HydrophobicContact CD1-CD1 3.86Å; T490-L494 PolarHBondContact O-N 3.3Å; E492-L494 VanDerWaalsContact C-N 3.31Å; E492-L494 PolarHBondContact O-N 3.35Å; L494-E497 PolarHBondContact O-N 2.73Å; L494-L498 HydrophobicContact CD2-CD1 3.93Å; L494-L498 WeakPolarHBondContact O-CG 3.48Å; L494-L498 PolarHBondContact O-N 2.65Å; L494-L523 HydrophobicContact CD1-CD2 3.92Å; L494-L523 HydrophobicContact CG-CD1 4.37Å; L494-L523 HydrophobicContact CG-CD2 4.24Å; L494-L527 HydrophobicContact CD1-CD1 4.37Å; L494-L527 HydrophobicContact CD2-CD1 3.8Å
495L96Very high94.1Very high7 Ų753.3 Ų53.34%0.03726%0.26CS..Hα-helixtrans-66.8-42.2-178.9-73.9172.9000111L84 I117 L118 I476 M491 E492 E493 L498 E499L84-L495 HydrophobicContact CD2-CD2 4.22Å; I117-L495 HydrophobicContact CG2-CD1 4.15Å; L118-L495 HydrophobicContact CD2-CB 4.27Å; L118-L495 HydrophobicContact CD2-CD1 4.32Å; L118-L495 HydrophobicContact CD2-CD2 4.07Å; L118-L495 HydrophobicContact CD2-CG 4.46Å; I476-L495 HydrophobicContact CD1-CD2 4.12Å; M491-L495 HydrophobicContact CG-CD1 4.15Å; M491-L495 WeakPolarHBondContact O-CB 3.39Å; M491-L495 VanDerWaalsContact O-CG 3.27Å; M491-L495 WeakPolarHBondContact O-CG 3.41Å; M491-L495 PolarHBondContact O-N 2.97Å; M491-L495 VanDerWaalsContact O-N 3.11Å; E492-L495 PolarHBondContact O-N 3.45Å; E493-L495 PolarHBondContact O-N 3.35Å; L495-L498 PolarHBondContact O-N 3.43Å; L495-E499 VanDerWaalsContact O-CB 3.3Å; L495-E499 WeakPolarHBondContact O-CB 3.37Å; L495-E499 PolarHBondContact O-N 3.44Å
496L94.8Very high93.5Very high95 Ų9555.1 Ų55.150%0.49727%0.268SS..Hα-helixtrans-63.3-39.7175.7-71.6171.2000112.2E492 E493 L498 E499 S500E492-L496 HydrophobicContact CG-CD1 4.11Å; E492-L496 WeakPolarHBondContact O-CB 3.28Å; E492-L496 WeakPolarHBondContact O-CG 3.35Å; E492-L496 PolarHBondContact O-N 2.77Å; E493-L496 PolarHBondContact O-N 2.98Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 3.25Å; L496-E499 PolarHBondContact O-N 2.89Å; L496-S500 PolarHBondContact O-N 3.23Å
497E96.3Very high92.7Very high35 Ų3553.6 Ų53.616%0.16427%0.269CS..Hα-helixtrans-60.4-43176.3179.359.9-136.700111.2E493 L494 S500 K519 Q520 L523E493-E497 VanDerWaalsContact O-CB 3.27Å; E493-E497 WeakPolarHBondContact O-CB 3.31Å; E493-E497 PolarHBondContact O-N 2.81Å; L494-E497 PolarHBondContact O-N 2.73Å; E497-S500 PolarHBondContact O-OG 3.28Å; E497-K519 WeakPolarHBondContact OE1-CD 3.36Å; E497-K519 WeakPolarHBondContact OE1-CE 3.41Å; E497-K519 IonicContact OE1-NZ 2.72Å; E497-K519 PolarHBondContact OE1-NZ 2.69Å; E497-K519 IonicContact OE2-NZ 3.06Å; E497-K519 PolarHBondContact OE2-NZ 3.27Å; E497-Q520 HydrophobicContact CG-CG 4.19Å; E497-Q520 PolarHBondContact O-NE2 2.86Å; E497-Q520 WeakPolarHBondContact OE1-CG 3.43Å; E497-Q520 PolarHBondContact OE1-NE2 2.7Å; E497-L523 HydrophobicContact CB-CD1 4.1Å; E497-L523 HydrophobicContact CG-CD1 3.6Å
498L97Very high91.9Very high0 Ų048.7 Ų48.70%027%0.272CS..Hα-helixtrans-76-31175.9-64.4-178.3000113.1G80 A81 L84 L494 L495 L496 S500 I501 Q520 L523 Y524 L527G80-L498 CarbonylContact C-O 3.54Å; G80-L498 VanDerWaalsContact CA-O 3.25Å; G80-L498 WeakPolarHBondContact CA-O 3.06Å; A81-L498 PolarHBondContact N-O 2.66Å; L84-L498 HydrophobicContact CD2-CD1 3.75Å; L494-L498 HydrophobicContact CD2-CD1 3.93Å; L494-L498 WeakPolarHBondContact O-CG 3.48Å; L494-L498 PolarHBondContact O-N 2.65Å; L495-L498 PolarHBondContact O-N 3.43Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 3.25Å; L498-S500 PolarHBondContact O-N 3.02Å; L498-I501 HydrophobicContact CD2-CD1 4.41Å; L498-I501 PolarHBondContact O-N 3.26Å; L498-Q520 HydrophobicContact CD2-CB 4.05Å; L498-Q520 HydrophobicContact CD2-CG 4.35Å; L498-L523 HydrophobicContact CD2-CB 4.03Å; L498-L523 HydrophobicContact CD2-CD1 4.18Å; L498-L523 HydrophobicContact CG-CD1 4.37Å; L498-Y524 HydrophobicContact CD1-CE1 4.31Å; L498-Y524 HydrophobicContact CD2-CD2 3.97Å; L498-Y524 HydrophobicContact CD2-CE2 3.65Å; L498-L527 HydrophobicContact CD1-CD1 4.32Å
499E94.2Very high91.1Very high32 Ų3249.5 Ų49.515%0.1527%0.269CS..Hα-helixtrans-61.5-31.8177.1-170.1174.516200111.4F78 A81 H134 L495 L496 I501F78-E499 HydrophobicContact CB-CG 4.28Å; F78-E499 WeakPolarHBondContact CD1-O 3.45Å; F78-E499 HydrophobicContact CG-CG 4.38Å; A81-E499 HydrophobicContact CB-CB 3.91Å; A81-E499 HydrophobicContact CB-CG 4.42Å; H134-E499 IonicContact CE1-OE1 3.79Å; H134-E499 PolarHBondContact CE1-OE1 3.18Å; H134-E499 VanDerWaalsContact CE1-OE1 3.27Å; H134-E499 IonicContact NE2-OE1 3.21Å; H134-E499 PolarHBondContact NE2-OE1 3.3Å; L495-E499 VanDerWaalsContact O-CB 3.3Å; L495-E499 WeakPolarHBondContact O-CB 3.37Å; L495-E499 PolarHBondContact O-N 3.44Å; L496-E499 PolarHBondContact O-N 2.89Å; E499-I501 PolarHBondContact O-N 2.72Å; E499-I501 VanDerWaalsContact O-N 3.07Å
500S93.9Very high90.4Very high59 Ų5950.9 Ų50.941%0.41329%0.291SS..THydrogen-bonded Turntrans-60-18.8178.574.10000115L496 E497 L498 Q502 Q520L496-S500 PolarHBondContact O-N 3.23Å; E497-S500 PolarHBondContact O-OG 3.28Å; L498-S500 PolarHBondContact O-N 3.02Å; S500-Q502 PolarHBondContact O-N 3.33Å; S500-Q520 PolarHBondContact OG-NE2 2.89Å
501I95.9Very high89.9Confident2 Ų251 Ų511%0.0129%0.293CS..  trans-72.4123.8175.8-57.8164.4000109.5Y79 G80 L498 E499 V513 V516 Q520 Y524 P532Y79-I501 PolarHBondContact N-O 2.91Å; G80-I501 PolarHBondContact N-O 2.88Å; G80-I501 VanDerWaalsContact N-O 3.1Å; L498-I501 HydrophobicContact CD2-CD1 4.41Å; L498-I501 PolarHBondContact O-N 3.26Å; E499-I501 PolarHBondContact O-N 2.72Å; E499-I501 VanDerWaalsContact O-N 3.07Å; I501-V513 HydrophobicContact CG2-CG1 4.03Å; I501-V516 HydrophobicContact CD1-CG1 3.93Å; I501-V516 HydrophobicContact CD1-CG2 4.37Å; I501-V516 HydrophobicContact CG2-CG2 3.98Å; I501-Q520 HydrophobicContact CD1-CB 4.08Å; I501-Q520 HydrophobicContact CD1-CG 4.29Å; I501-Q520 HydrophobicContact CG1-CG 4.49Å; I501-Y524 HydrophobicContact CD1-CE2 3.69Å; I501-P532 HydrophobicContact CG2-CG 4.43Å
502Q95.1Very high89.8Confident52 Ų5255.2 Ų55.224%0.24331%0.314CS..EExtended strand (participates in β ladder)trans-101.2158.7-179.7-65.2175.7-4.900111.9R76 S77 F78 S500 C514R76-Q502 HydrophobicContact CG-CB 4.36Å; S77-Q502 CarbonylContact O-C 3.59Å; S77-Q502 VanDerWaalsContact O-CA 3.29Å; S77-Q502 WeakPolarHBondContact O-CA 3.49Å; F78-Q502 HydrophobicContact CD1-CG 3.94Å; F78-Q502 HydrophobicContact CE1-CG 4.19Å; S500-Q502 PolarHBondContact O-N 3.33Å; Q502-C514 HydrophobicContact CB-CB 4.2Å; Q502-C514 WeakPolarHBondContact O-CB 3.42Å; Q502-C514 PolarHBondContact O-N 2.93Å
503S93.4Very high89.8Confident1 Ų150.7 Ų50.71%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-125149.3162.169.20000110.3R76 S77 T135 I512R76-S503 WeakPolarHBondContact CA-O 3.29Å; S77-S503 PolarHBondContact N-O 3.35Å; S77-S503 PolarHBondContact O-N 3.43Å; T135-S503 PolarHBondContact OG1-OG 2.79Å; S503-I512 CarbonylContact C-O 3.51Å; S503-I512 VanDerWaalsContact CA-O 3.27Å; S503-I512 WeakPolarHBondContact CA-O 3.44Å
504V91.5Very high89.7Confident28 Ų2847.2 Ų47.217%0.1728%0.281CS..EExtended strand (participates in β ladder)trans-110.9120171.9-178.70000108.3V74 Q75 R76 I512V74-V504 HydrophobicContact CG1-CG1 4.49Å; Q75-V504 WeakPolarHBondContact O-CA 3.39Å; R76-V504 HydrophobicContact CB-CG2 4.39Å; R76-V504 HydrophobicContact CG-CG2 4.31Å; V504-I512 PolarHBondContact N-O 3.49Å; V504-I512 PolarHBondContact O-N 2.84Å
505C85.3Confident89.6Confident19 Ų1954.9 Ų54.913%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-101.3125.6176.6-75.50000108.8V71 V74 Q75V71-C505 HydrophobicContact CB-CB 4.37Å; V71-C505 HydrophobicContact CG1-CB 3.77Å; V71-C505 HydrophobicContact CG2-CB 3.74Å; V74-C505 VanDerWaalsContact CA-O 3.29Å; V74-C505 WeakPolarHBondContact CA-O 3.36Å; Q75-C505 PolarHBondContact N-O 2.87Å; Q75-C505 VanDerWaalsContact N-O 3.09Å; Q75-C505 PolarHBondContact O-N 3.12Å
506E83Confident89.5Confident59 Ų5955.3 Ų55.328%0.27632%0.32SS..  trans-117.7141.1170.8-69-165.1151.100110.4V74 G508 R509V74-E506 HydrophobicContact CG1-CG 4.27Å; V74-E506 HydrophobicContact CG2-CG 4.14Å; E506-G508 PolarHBondContact O-N 3.06Å; E506-R509 HydrophobicContact CB-CB 4.26Å; E506-R509 HydrophobicContact CB-CG 4.47Å; E506-R509 PolarHBondContact O-N 3.44Å; E506-R509 VanDerWaalsContact OE2-CD 3.31Å; E506-R509 WeakPolarHBondContact OE2-CD 3.48Å; E506-R509 IonicContact OE2-CZ 3.96Å; E506-R509 IonicContact OE2-NE 3.27Å; E506-R509 IonicContact OE2-NH1 2.86Å; E506-R509 PolarHBondContact OE2-NH1 2.77Å
507P78.2Confident89.6Confident63 Ų6355 Ų5541%0.40932%0.318SS..THydrogen-bonded Turntrans-54.4127176.7-27.836.4000112.9V71 T72 R509V71-P507 HydrophobicContact CG1-CG 4.42Å; V71-P507 VanDerWaalsContact O-CA 3.25Å; V71-P507 WeakPolarHBondContact O-CA 3.29Å; V71-P507 VanDerWaalsContact O-CB 3.31Å; V71-P507 WeakPolarHBondContact O-CB 3.36Å; T72-P507 VanDerWaalsContact C-CG 3.48Å; P507-R509 VanDerWaalsContact C-N 3.28Å; P507-R509 PolarHBondContact O-N 2.78Å
508G77Confident89.6Confident87 Ų8759.3 Ų59.390%0.89734%0.338SS*.THydrogen-bonded Turntrans79.31.6179.700000115.4E506E506-G508 PolarHBondContact O-N 3.06Å
509R77.7Confident89.5Confident165 Ų16563.7 Ų63.762%0.62336%0.357SS*.SBendtrans-114.2157175-63.6-174.4176.1176.4-8.3111.2E506 P507E506-R509 HydrophobicContact CB-CB 4.26Å; E506-R509 HydrophobicContact CB-CG 4.47Å; E506-R509 PolarHBondContact O-N 3.44Å; E506-R509 VanDerWaalsContact OE2-CD 3.31Å; E506-R509 WeakPolarHBondContact OE2-CD 3.48Å; E506-R509 IonicContact OE2-CZ 3.96Å; E506-R509 IonicContact OE2-NE 3.27Å; E506-R509 IonicContact OE2-NH1 2.86Å; E506-R509 PolarHBondContact OE2-NH1 2.77Å; P507-R509 VanDerWaalsContact C-N 3.28Å; P507-R509 PolarHBondContact O-N 2.78Å
510A78.8Confident89.6Confident79 Ų7962.3 Ų62.365%0.65335%0.351SS*.PPolyproline II helixtrans-65146.1166.300000109.1I512A510-I512 PolarHBondContact O-N 2.88Å
511P83.8Confident89.7Confident70 Ų7064.1 Ų64.146%0.45535%0.349SS..PPolyproline II helixtrans-53.2134.4171.1-24.234000110.5
512I90.3Very high89.7Confident93 Ų9368.4 Ų68.448%0.47737%0.372SS..EExtended strand (participates in β ladder)trans-98.2117175.2-59.2171.9000107S503 V504 A510S503-I512 CarbonylContact C-O 3.51Å; S503-I512 VanDerWaalsContact CA-O 3.27Å; S503-I512 WeakPolarHBondContact CA-O 3.44Å; V504-I512 PolarHBondContact N-O 3.49Å; V504-I512 PolarHBondContact O-N 2.84Å; A510-I512 PolarHBondContact O-N 2.88Å
513V92.5Very high89.9Confident21 Ų2166.3 Ų66.313%0.12736%0.362CS..EExtended strand (participates in β ladder)trans-74.8131.1173.6-173.80000108.3Y79 I501 V516 P532 Q533Y79-V513 HydrophobicContact CD1-CG1 4.37Å; Y79-V513 HydrophobicContact CD1-CG2 4.04Å; Y79-V513 HydrophobicContact CE1-CG2 3.68Å; I501-V513 HydrophobicContact CG2-CG1 4.03Å; V513-V516 HydrophobicContact CG1-CG2 3.95Å; V513-P532 HydrophobicContact CG1-CB 3.91Å; V513-P532 HydrophobicContact CG1-CG 3.94Å; V513-P532 HydrophobicContact CG2-CB 4.03Å; V513-Q533 VanDerWaalsContact CG2-O 3.26Å; V513-Q533 WeakPolarHBondContact CG2-O 3.28Å
514C92.5Very high90.1Very high25 Ų2566.2 Ų66.217%0.16936%0.362CS..  trans-72.2-174.1174.7-63.60000111Q502 V516Q502-C514 HydrophobicContact CB-CB 4.2Å; Q502-C514 WeakPolarHBondContact O-CB 3.42Å; Q502-C514 PolarHBondContact O-N 2.93Å; C514-V516 PolarHBondContact O-N 3.37Å
515E93.8Very high90.3Very high160 Ų16068.2 Ų68.275%0.74838%0.381SS*.  trans-58123.4-176.9-60.880.4179.500111.7
516V95.5Very high90.9Very high16 Ų1668.2 Ų68.210%0.09738%0.382CS..  trans-105.5113.7172.9-174.10000108.6I501 V513 C514 Q520 R521 P532I501-V516 HydrophobicContact CD1-CG1 3.93Å; I501-V516 HydrophobicContact CD1-CG2 4.37Å; I501-V516 HydrophobicContact CG2-CG2 3.98Å; V513-V516 HydrophobicContact CG1-CG2 3.95Å; C514-V516 PolarHBondContact O-N 3.37Å; V516-Q520 HydrophobicContact CG1-CB 3.96Å; V516-R521 HydrophobicContact CG1-CG 3.78Å; V516-R521 PolarHBondContact O-NE 3.38Å; V516-P532 HydrophobicContact CG2-CG 4.2Å
517L95.7Very high91.5Very high89 Ų8965.4 Ų65.447%0.46637%0.369SS..  trans-68.3153.9-178.9-59.5178000111.5K519 Q520 R521L517-K519 VanDerWaalsContact C-N 3.29Å; L517-K519 HydrophobicContact CB-CG 3.99Å; L517-K519 VanDerWaalsContact CD1-CE 3.48Å; L517-K519 HydrophobicContact CD1-CG 4.49Å; L517-K519 PolarHBondContact O-N 2.91Å; L517-Q520 HydrophobicContact CB-CG 4.28Å; L517-Q520 WeakPolarHBondContact O-CA 3.47Å; L517-Q520 WeakPolarHBondContact O-CB 3.27Å; L517-Q520 PolarHBondContact O-N 3.23Å; L517-R521 PolarHBondContact O-N 2.86Å
518E95.5Very high92.4Very high125 Ų12566.3 Ų66.358%0.58437%0.37SS*.Hα-helixtrans-59.4-40.1180-169.258.8-157.900112.3Q520 R521 N522E518-Q520 VanDerWaalsContact C-N 3.25Å; E518-Q520 PolarHBondContact O-N 2.89Å; E518-R521 PolarHBondContact O-N 2.86Å; E518-N522 VanDerWaalsContact O-CG 3.29Å; E518-N522 PolarHBondContact O-N 2.84Å; E518-N522 PolarHBondContact O-ND2 2.87Å
519K95Very high93.3Very high92 Ų9262.7 Ų62.740%0.433%0.331SS..Hα-helixtrans-56.7-38.7173.357.9166.3175.5159.20112.5E497 L517 N522 L523E497-K519 WeakPolarHBondContact OE1-CD 3.36Å; E497-K519 WeakPolarHBondContact OE1-CE 3.41Å; E497-K519 IonicContact OE1-NZ 2.72Å; E497-K519 PolarHBondContact OE1-NZ 2.69Å; E497-K519 IonicContact OE2-NZ 3.06Å; E497-K519 PolarHBondContact OE2-NZ 3.27Å; L517-K519 VanDerWaalsContact C-N 3.29Å; L517-K519 HydrophobicContact CB-CG 3.99Å; L517-K519 VanDerWaalsContact CD1-CE 3.48Å; L517-K519 HydrophobicContact CD1-CG 4.49Å; L517-K519 PolarHBondContact O-N 2.91Å; K519-N522 PolarHBondContact O-N 3.42Å; K519-L523 WeakPolarHBondContact O-CG 3.38Å; K519-L523 PolarHBondContact O-N 2.97Å
520Q96.8Very high94.1Very high4 Ų460.6 Ų60.62%0.01933%0.33CS..Hα-helixtrans-72.9-39.3178.8-66.2164.3-22.900111.3E497 L498 S500 I501 V516 L517 E518 N522 L523 Y524E497-Q520 HydrophobicContact CG-CG 4.19Å; E497-Q520 PolarHBondContact O-NE2 2.86Å; E497-Q520 WeakPolarHBondContact OE1-CG 3.43Å; E497-Q520 PolarHBondContact OE1-NE2 2.7Å; L498-Q520 HydrophobicContact CD2-CB 4.05Å; L498-Q520 HydrophobicContact CD2-CG 4.35Å; S500-Q520 PolarHBondContact OG-NE2 2.89Å; I501-Q520 HydrophobicContact CD1-CB 4.08Å; I501-Q520 HydrophobicContact CD1-CG 4.29Å; I501-Q520 HydrophobicContact CG1-CG 4.49Å; V516-Q520 HydrophobicContact CG1-CB 3.96Å; L517-Q520 HydrophobicContact CB-CG 4.28Å; L517-Q520 WeakPolarHBondContact O-CA 3.47Å; L517-Q520 WeakPolarHBondContact O-CB 3.27Å; L517-Q520 PolarHBondContact O-N 3.23Å; E518-Q520 VanDerWaalsContact C-N 3.25Å; E518-Q520 PolarHBondContact O-N 2.89Å; Q520-N522 VanDerWaalsContact C-N 3.29Å; Q520-N522 PolarHBondContact O-N 2.89Å; Q520-L523 WeakPolarHBondContact O-CB 3.32Å; Q520-L523 PolarHBondContact O-N 3.41Å; Q520-Y524 WeakPolarHBondContact O-CD2 3.42Å; Q520-Y524 PolarHBondContact O-N 2.8Å
521R96.9Very high94.9Very high96 Ų9657.7 Ų57.736%0.36230%0.304SS..Hα-helixtrans-58.8-42.6172.6-64-178.4-175.7-83.3-1.4111.1V516 L517 E518 L523 Y524 A525 P531V516-R521 HydrophobicContact CG1-CG 3.78Å; V516-R521 PolarHBondContact O-NE 3.38Å; L517-R521 PolarHBondContact O-N 2.86Å; E518-R521 PolarHBondContact O-N 2.86Å; R521-L523 PolarHBondContact O-N 2.62Å; R521-Y524 PolarHBondContact O-N 2.87Å; R521-A525 WeakPolarHBondContact O-CB 3.39Å; R521-A525 PolarHBondContact O-N 3.38Å; R521-P531 HydrophobicContact CG-CB 4.39Å; R521-P531 HydrophobicContact CG-CG 4.41Å
522N96.4Very high95.3Very high93 Ų9354.4 Ų54.450%0.49728%0.283SS..Hα-helixtrans-62.4-40.5175.2-69-24.4000112.1E518 K519 Q520 A525 A526E518-N522 VanDerWaalsContact O-CG 3.29Å; E518-N522 PolarHBondContact O-N 2.84Å; E518-N522 PolarHBondContact O-ND2 2.87Å; K519-N522 PolarHBondContact O-N 3.42Å; Q520-N522 VanDerWaalsContact C-N 3.29Å; Q520-N522 PolarHBondContact O-N 2.89Å; N522-A525 PolarHBondContact O-N 2.84Å; N522-A526 WeakPolarHBondContact O-CB 3.47Å; N522-A526 PolarHBondContact O-N 2.81Å
523L97.4Very high94.9Very high7 Ų760 Ų604%0.03731%0.307CS..Hα-helixtrans-62.4-45.7174.6-70.5176.6000112.2L485 Y489 L494 E497 L498 K519 Q520 R521 A525 A526 L527L485-L523 HydrophobicContact CD2-CD2 4.4Å; Y489-L523 HydrophobicContact CD2-CD2 4.25Å; Y489-L523 HydrophobicContact CE2-CD2 4.09Å; L494-L523 HydrophobicContact CD1-CD2 3.92Å; L494-L523 HydrophobicContact CG-CD1 4.37Å; L494-L523 HydrophobicContact CG-CD2 4.24Å; E497-L523 HydrophobicContact CB-CD1 4.1Å; E497-L523 HydrophobicContact CG-CD1 3.6Å; L498-L523 HydrophobicContact CD2-CB 4.03Å; L498-L523 HydrophobicContact CD2-CD1 4.18Å; L498-L523 HydrophobicContact CG-CD1 4.37Å; K519-L523 WeakPolarHBondContact O-CG 3.38Å; K519-L523 PolarHBondContact O-N 2.97Å; Q520-L523 WeakPolarHBondContact O-CB 3.32Å; Q520-L523 PolarHBondContact O-N 3.41Å; R521-L523 PolarHBondContact O-N 2.62Å; L523-A525 PolarHBondContact O-N 2.88Å; L523-A526 PolarHBondContact O-N 3.3Å; L523-L527 VanDerWaalsContact O-CG 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.48Å; L523-L527 PolarHBondContact O-N 2.95Å
524Y97.9Very high95Very high0 Ų062 Ų620%032%0.316CS..Hα-helixtrans-59-46.4174.3-78.7-69.1000112G80 W83 L84 L498 I501 Q520 R521 A526 L527 D528 V529 P531 P532G80-Y524 WeakPolarHBondContact CA-OH 3.33Å; G80-Y524 PolarHBondContact O-OH 3.25Å; W83-Y524 AromaticContact CD1-CE1 3.8Å; L84-Y524 HydrophobicContact CB-CE1 3.84Å; L84-Y524 HydrophobicContact CD1-CD1 4.06Å; L84-Y524 HydrophobicContact CD1-CE1 4.18Å; L498-Y524 HydrophobicContact CD1-CE1 4.31Å; L498-Y524 HydrophobicContact CD2-CD2 3.97Å; L498-Y524 HydrophobicContact CD2-CE2 3.65Å; I501-Y524 HydrophobicContact CD1-CE2 3.69Å; Q520-Y524 WeakPolarHBondContact O-CD2 3.42Å; Q520-Y524 PolarHBondContact O-N 2.8Å; R521-Y524 PolarHBondContact O-N 2.87Å; Y524-A526 PolarHBondContact O-N 3.06Å; Y524-L527 CarbonylContact O-C 3.39Å; Y524-L527 WeakPolarHBondContact O-CA 3.29Å; Y524-L527 PolarHBondContact O-N 2.84Å; Y524-L527 VanDerWaalsContact O-N 3.14Å; Y524-D528 PolarHBondContact O-N 3.12Å; Y524-D528 VanDerWaalsContact O-N 3.12Å; Y524-V529 CarbonylContact C-O 3.44Å; Y524-V529 WeakPolarHBondContact CB-O 3.44Å; Y524-V529 HydrophobicContact CD1-CB 4.35Å; Y524-V529 HydrophobicContact CD1-CG1 3.86Å; Y524-V529 HydrophobicContact CE1-CG1 4.47Å; Y524-V529 PolarHBondContact O-N 3.47Å; Y524-P531 HydrophobicContact CD2-CB 3.63Å; Y524-P531 HydrophobicContact CE2-CB 4.22Å; Y524-P531 HydrophobicContact CG-CB 4.05Å; Y524-P532 VanDerWaalsContact CE2-CD 3.46Å; Y524-P532 HydrophobicContact CE2-CG 4.37Å
525A97Very high95.2Very high69 Ų6963.9 Ų63.957%0.5732%0.324SS*.Hα-helixtrans-61.2-42.8178.200000112.1R521 N522 L523 L527 D528R521-A525 WeakPolarHBondContact O-CB 3.39Å; R521-A525 PolarHBondContact O-N 3.38Å; N522-A525 PolarHBondContact O-N 2.84Å; L523-A525 PolarHBondContact O-N 2.88Å; A525-L527 VanDerWaalsContact C-N 3.27Å; A525-L527 PolarHBondContact O-N 3.44Å; A525-D528 WeakPolarHBondContact O-CA 3.43Å; A525-D528 PolarHBondContact O-N 2.91Å
526A96.8Very high95.3Very high19 Ų1958.6 Ų58.616%0.15730%0.3CS..Hα-helixtrans-63.9-33.2175.700000112.3Q483 L485 N522 L523 Y524 D528Q483-A526 HydrophobicContact CB-CB 4.36Å; Q483-A526 HydrophobicContact CG-CB 4.12Å; Q483-A526 WeakPolarHBondContact CG-O 2.97Å; L485-A526 HydrophobicContact CD1-CB 3.9Å; L485-A526 HydrophobicContact CD2-CB 4.31Å; L485-A526 HydrophobicContact CG-CB 4.49Å; N522-A526 WeakPolarHBondContact O-CB 3.47Å; N522-A526 PolarHBondContact O-N 2.81Å; L523-A526 PolarHBondContact O-N 3.3Å; Y524-A526 PolarHBondContact O-N 3.06Å; A526-D528 PolarHBondContact O-N 3.41Å
527L96.8Very high95.2Very high0 Ų061.1 Ų61.10%031%0.312CS..THydrogen-bonded Turntrans-80.85172.2-63.8178000113.4L84 Y475 I476 K479 M480 L494 L498 L523 Y524 A525 V529L84-L527 HydrophobicContact CD1-CB 4.24Å; L84-L527 HydrophobicContact CD1-CD1 3.74Å; L84-L527 HydrophobicContact CD2-CD1 3.65Å; L84-L527 HydrophobicContact CG-CD1 4.35Å; Y475-L527 PolarHBondContact OH-O 3.42Å; I476-L527 HydrophobicContact CG2-CD2 4.33Å; K479-L527 HydrophobicContact CB-CD2 3.57Å; K479-L527 HydrophobicContact CG-CD2 4.48Å; M480-L527 HydrophobicContact CG-CD2 4.32Å; L494-L527 HydrophobicContact CD1-CD1 4.37Å; L494-L527 HydrophobicContact CD2-CD1 3.8Å; L498-L527 HydrophobicContact CD1-CD1 4.32Å; L523-L527 VanDerWaalsContact O-CG 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.48Å; L523-L527 PolarHBondContact O-N 2.95Å; Y524-L527 CarbonylContact O-C 3.39Å; Y524-L527 WeakPolarHBondContact O-CA 3.29Å; Y524-L527 PolarHBondContact O-N 2.84Å; Y524-L527 VanDerWaalsContact O-N 3.14Å; A525-L527 VanDerWaalsContact C-N 3.27Å; A525-L527 PolarHBondContact O-N 3.44Å; L527-V529 VanDerWaalsContact C-N 3.28Å; L527-V529 PolarHBondContact O-N 3Å
528D96.3Very high95.2Very high82 Ų8259.3 Ų59.344%0.43930%0.302SS..THydrogen-bonded Turntrans57.344179.4179.224000110.9K91 K479 Y524 A525 A526K91-D528 PolarHBondContact NZ-O 3.43Å; K91-D528 IonicContact NZ-OD1 3.49Å; K91-D528 PolarHBondContact NZ-OD1 3.15Å; K91-D528 IonicContact NZ-OD2 3.84Å; K91-D528 PolarHBondContact NZ-OD2 3.47Å; K479-D528 HydrophobicContact CD-CB 4.38Å; K479-D528 IonicContact NZ-OD2 2.97Å; K479-D528 PolarHBondContact NZ-OD2 2.97Å; Y524-D528 PolarHBondContact O-N 3.12Å; Y524-D528 VanDerWaalsContact O-N 3.12Å; A525-D528 WeakPolarHBondContact O-CA 3.43Å; A525-D528 PolarHBondContact O-N 2.91Å; A526-D528 PolarHBondContact O-N 3.41Å
529V96.4Very high95.2Very high12 Ų1254.9 Ų54.97%0.07328%0.284CS..  trans-131.9144179.1168.20000109.2L84 Q87 I88 Y524 L527L84-V529 HydrophobicContact CD1-CB 4.08Å; L84-V529 HydrophobicContact CD1-CG1 4.13Å; L84-V529 HydrophobicContact CD1-CG2 3.97Å; Q87-V529 HydrophobicContact CB-CB 4.39Å; Q87-V529 HydrophobicContact CB-CG1 3.4Å; Q87-V529 HydrophobicContact CB-CG2 4.07Å; Q87-V529 HydrophobicContact CG-CG1 3.63Å; I88-V529 HydrophobicContact CG1-CG2 4.28Å; Y524-V529 CarbonylContact C-O 3.44Å; Y524-V529 WeakPolarHBondContact CB-O 3.44Å; Y524-V529 HydrophobicContact CD1-CB 4.35Å; Y524-V529 HydrophobicContact CD1-CG1 3.86Å; Y524-V529 HydrophobicContact CE1-CG1 4.47Å; Y524-V529 PolarHBondContact O-N 3.47Å; L527-V529 VanDerWaalsContact C-N 3.28Å; L527-V529 PolarHBondContact O-N 3Å
530M94.8Very high95.2Very high120 Ų12052.3 Ų52.359%0.59128%0.275SS*.PPolyproline II helixtrans-75.8131.7173-73.8-57.5-56.600110.6W83W83-M530 PolarHBondContact NE1-O 3.1Å
531P94.7Very high95.1Very high18 Ų1856 Ų5612%0.11730%0.295CS..PPolyproline II helixtrans-60.8154.9172.726.3-35.3000111.1R521 Y524R521-P531 HydrophobicContact CG-CB 4.39Å; R521-P531 HydrophobicContact CG-CG 4.41Å; Y524-P531 HydrophobicContact CD2-CB 3.63Å; Y524-P531 HydrophobicContact CE2-CB 4.22Å; Y524-P531 HydrophobicContact CG-CB 4.05Å
532P92.4Very high94.9Very high1 Ų152.7 Ų52.71%0.00629%0.289CS..PPolyproline II helixtrans-63.2146.4175.727.8-32000110.3Y79 W83 I501 V513 V516 Y524Y79-P532 HydrophobicContact CD1-CB 4.16Å; Y79-P532 HydrophobicContact CE1-CB 3.63Å; Y79-P532 HydrophobicContact CE1-CG 4.47Å; W83-P532 HydrophobicContact CD2-CB 4.13Å; W83-P532 HydrophobicContact CG-CB 3.93Å; W83-P532 HydrophobicContact CG-CG 4.35Å; I501-P532 HydrophobicContact CG2-CG 4.43Å; V513-P532 HydrophobicContact CG1-CB 3.91Å; V513-P532 HydrophobicContact CG1-CG 3.94Å; V513-P532 HydrophobicContact CG2-CB 4.03Å; V516-P532 HydrophobicContact CG2-CG 4.2Å; Y524-P532 VanDerWaalsContact CE2-CD 3.46Å; Y524-P532 HydrophobicContact CE2-CG 4.37Å
533Q82.5Confident94.8Very high211 Ų21149 Ų4999%0.98627%0.271SS*.  trans-113.90-176.1-68.7-171.4-1.900112.4V513V513-Q533 VanDerWaalsContact CG2-O 3.26Å; V513-Q533 WeakPolarHBondContact CG2-O 3.28Å

Retrieved 533 of 533 residues in 1021.1 ms (Link to these results)

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