A0A077ZAN9_TRITR Loading...

histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A077ZAN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 376 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
1M65.5Low83Confident180 Ų18096 Ų9689%0.88750%0.502SS*.  0127.10-75.2174.1174.300108.4Y12M1-Y12 HydrophobicContact CB-CD1 4.41Å
2A79.5Confident83.5Confident37 Ų3791.8 Ų91.831%0.30648%0.475SS..  trans-77.4139.3171.400000109.8Y12 Y13 W26 V100A2-Y12 WeakPolarHBondContact O-CA 3.46Å; A2-Y13 PolarHBondContact O-N 2.81Å; A2-W26 HydrophobicContact CB-CH2 4.23Å; A2-V100 HydrophobicContact CB-CB 4.45Å; A2-V100 HydrophobicContact CB-CG1 4.39Å; A2-V100 HydrophobicContact CB-CG2 3.34Å
3K83.8Confident83.9Confident142 Ų14285.6 Ų85.662%0.61744%0.442SS*.EExtended strand (participates in β ladder)trans-131.7150.1175.167.5177.5-177.4175.90110.1T10 V11 Y12K3-T10 HydrophobicContact CB-CG2 4.28Å; K3-T10 HydrophobicContact CD-CG2 4.26Å; K3-V11 CarbonylContact C-O 3.56Å; K3-V11 VanDerWaalsContact CA-O 3.23Å; K3-V11 WeakPolarHBondContact CA-O 3.3Å; K3-Y12 HydrophobicContact CB-CD1 3.79Å; K3-Y12 HydrophobicContact CB-CE1 3.78Å; K3-Y12 HydrophobicContact CB-CG 4.41Å; K3-Y12 HydrophobicContact CD-CE1 4.07Å
4R84.7Confident84.3Confident74 Ų7481.3 Ų81.328%0.27942%0.422SS..EExtended strand (participates in β ladder)trans-142.9155.6171.366.7-179.5177171.21.5110.1V11 W26 E104R4-V11 HydrophobicContact CG-CG2 3.43Å; R4-V11 VanDerWaalsContact CG-CG2 3.43Å; R4-V11 PolarHBondContact N-O 3.17Å; R4-V11 WeakPolarHBondContact O-CG2 3.4Å; R4-V11 PolarHBondContact O-N 3.32Å; R4-W26 HydrophobicContact CB-CH2 4.23Å; R4-W26 HydrophobicContact CB-CZ3 4.31Å; R4-W26 HydrophobicContact CG-CE3 4.04Å; R4-W26 HydrophobicContact CG-CH2 3.82Å; R4-W26 HydrophobicContact CG-CZ2 4.28Å; R4-W26 HydrophobicContact CG-CZ3 3.7Å; R4-E104 IonicContact CZ-OE2 2.78Å; R4-E104 IonicContact NH1-OE2 3.89Å; R4-E104 IonicContact NH2-OE2 3.88Å; R4-E104 PolarHBondContact NH2-OE2 2.95Å
5E85.5Confident84.3Confident121 Ų12180.2 Ų80.257%0.56541%0.414SS*.EExtended strand (participates in β ladder)trans-84.5129.8168.6-70.8-57.3134.800109.4T10E5-T10 WeakPolarHBondContact OE1-CA 3.35Å; E5-T10 WeakPolarHBondContact OE1-CB 3.38Å; E5-T10 PolarHBondContact OE1-OG1 2.63Å; E5-T10 PolarHBondContact OE2-N 3.25Å
6K80.5Confident84.5Confident87 Ų8780.2 Ų80.238%0.37841%0.407SS..EExtended strand (participates in β ladder)trans-137.8120.5174-173.2175.5-179.8177.10108.8G8 K9 V11K6-G8 PolarHBondContact O-N 2.91Å; K6-K9 PolarHBondContact N-O 3.17Å; K6-K9 PolarHBondContact O-N 2.65Å; K6-K9 VanDerWaalsContact O-O 3.13Å; K6-V11 HydrophobicContact CB-CG1 4.44Å; K6-V11 HydrophobicContact CB-CG2 4.21Å
7D82.4Confident84.5Confident149 Ų14982.7 Ų82.780%0.79742%0.421SS*.THydrogen-bonded Turntrans53.139.6-179.3-51.5-43.9000113.3K9D7-K9 PolarHBondContact O-N 2.88Å
8G84.4Confident84.4Confident75 Ų7585.4 Ų85.477%0.77344%0.437SS*.THydrogen-bonded Turntrans73.29.2-178.900000115.1K6K6-G8 PolarHBondContact O-N 2.91Å
9K87.3Confident84.3Confident138 Ų13888.9 Ų88.960%0.645%0.445SS*.EExtended strand (participates in β ladder)trans-116.4136.4175.7-62.7-177.9180-177.30110.7K6 D7 V11K6-K9 PolarHBondContact N-O 3.17Å; K6-K9 PolarHBondContact O-N 2.65Å; K6-K9 VanDerWaalsContact O-O 3.13Å; D7-K9 PolarHBondContact O-N 2.88Å; K9-V11 PolarHBondContact O-N 3.12Å
10T89.2Confident84.3Confident41 Ų4187.2 Ų87.225%0.25244%0.437SS..EExtended strand (participates in β ladder)trans-70.7124.3170.3-47.70000110K3 E5 Y12 A29K3-T10 HydrophobicContact CB-CG2 4.28Å; K3-T10 HydrophobicContact CD-CG2 4.26Å; E5-T10 WeakPolarHBondContact OE1-CA 3.35Å; E5-T10 WeakPolarHBondContact OE1-CB 3.38Å; E5-T10 PolarHBondContact OE1-OG1 2.63Å; E5-T10 PolarHBondContact OE2-N 3.25Å; T10-Y12 HydrophobicContact CG2-CD2 4.38Å; T10-Y12 HydrophobicContact CG2-CE2 3.7Å; T10-A29 PolarHBondContact O-N 3.33Å; T10-A29 VanDerWaalsContact O-N 3.1Å
11V89.9Confident84.3Confident12 Ų1285.6 Ų85.67%0.07343%0.426CS..EExtended strand (participates in β ladder)trans-116.3145.8171.5-59.60000110.2K3 R4 K6 K9 W26 I27 P28K3-V11 CarbonylContact C-O 3.56Å; K3-V11 VanDerWaalsContact CA-O 3.23Å; K3-V11 WeakPolarHBondContact CA-O 3.3Å; R4-V11 HydrophobicContact CG-CG2 3.43Å; R4-V11 VanDerWaalsContact CG-CG2 3.43Å; R4-V11 PolarHBondContact N-O 3.17Å; R4-V11 WeakPolarHBondContact O-CG2 3.4Å; R4-V11 PolarHBondContact O-N 3.32Å; K6-V11 HydrophobicContact CB-CG1 4.44Å; K6-V11 HydrophobicContact CB-CG2 4.21Å; K9-V11 PolarHBondContact O-N 3.12Å; V11-W26 HydrophobicContact CB-CE3 4.4Å; V11-W26 HydrophobicContact CG2-CD2 4.44Å; V11-W26 HydrophobicContact CG2-CE3 3.8Å; V11-W26 HydrophobicContact CG2-CZ3 4.39Å; V11-I27 CarbonylContact C-O 3.57Å; V11-I27 WeakPolarHBondContact CA-O 3.46Å; V11-P28 HydrophobicContact CG1-CG 4.46Å
12Y89.4Confident85.3Confident45 Ų4579.5 Ų79.518%0.17639%0.393CS..EExtended strand (participates in β ladder)trans-115.5140.7-178.9-68.7-92.8000110.4M1 A2 K3 T10 W26 I27 A29 I32 F34M1-Y12 HydrophobicContact CB-CD1 4.41Å; A2-Y12 WeakPolarHBondContact O-CA 3.46Å; K3-Y12 HydrophobicContact CB-CD1 3.79Å; K3-Y12 HydrophobicContact CB-CE1 3.78Å; K3-Y12 HydrophobicContact CB-CG 4.41Å; K3-Y12 HydrophobicContact CD-CE1 4.07Å; T10-Y12 HydrophobicContact CG2-CD2 4.38Å; T10-Y12 HydrophobicContact CG2-CE2 3.7Å; Y12-W26 VanDerWaalsContact C-CE3 3.41Å; Y12-W26 CarbonylContact O-C 3.48Å; Y12-W26 WeakPolarHBondContact O-CA 3.23Å; Y12-I27 PolarHBondContact N-O 2.91Å; Y12-I27 PolarHBondContact O-N 3.08Å; Y12-A29 HydrophobicContact CD2-CB 4.2Å; Y12-A29 HydrophobicContact CE2-CB 3.75Å; Y12-I32 HydrophobicContact CD2-CD1 3.86Å; Y12-I32 HydrophobicContact CG-CD1 3.87Å; Y12-F34 AromaticContact CD2-CZ 3.95Å; Y12-F34 HydrophobicContact CD2-CZ 3.95Å; Y12-F34 HydrophobicContact CE1-CE1 4.41Å; Y12-F34 HydrophobicContact CE1-CZ 4.27Å; Y12-F34 HydrophobicContact CE2-CE1 4.44Å; Y12-F34 HydrophobicContact CE2-CE2 4.3Å; Y12-F34 AromaticContact CE2-CZ 3.55Å; Y12-F34 HydrophobicContact CE2-CZ 3.55Å; Y12-F34 HydrophobicContact CG-CZ 4.47Å; Y12-F34 AromaticContact CZ-CZ 3.73Å
13Y89Confident85.7Confident12 Ų1282.1 Ų82.15%0.04740%0.402CS..EExtended strand (participates in β ladder)trans-86119.2172.3-169.1-110000109.4A2 D24 E25 W26 V100 R101A2-Y13 PolarHBondContact O-N 2.81Å; Y13-D24 HydrophobicContact CE1-CB 4.06Å; Y13-D24 HydrophobicContact CE2-CB 4.17Å; Y13-D24 VanDerWaalsContact OH-CB 3.23Å; Y13-D24 WeakPolarHBondContact OH-CB 3.47Å; Y13-E25 WeakPolarHBondContact CA-O 3.37Å; Y13-W26 AromaticContact CD2-CD1 3.9Å; Y13-W26 AromaticContact CD2-CD2 3.9Å; Y13-W26 HydrophobicContact CD2-CD2 3.9Å; Y13-W26 AromaticContact CD2-CE2 3.77Å; Y13-W26 HydrophobicContact CD2-CG 4.05Å; Y13-W26 HydrophobicContact CD2-CZ2 4.38Å; Y13-W26 AromaticContact CD2-NE1 3.72Å; Y13-W26 HydrophobicContact CG-CD2 4.44Å; Y13-W26 VanDerWaalsContact N-CE3 3.3Å; Y13-V100 HydrophobicContact CD1-CB 4.14Å; Y13-V100 HydrophobicContact CD1-CG1 3.9Å; Y13-V100 HydrophobicContact CD1-CG2 3.84Å; Y13-V100 HydrophobicContact CD2-CG1 3.86Å; Y13-V100 HydrophobicContact CE1-CB 4.36Å; Y13-V100 HydrophobicContact CE1-CG1 4.31Å; Y13-V100 HydrophobicContact CE1-CG2 4.38Å; Y13-V100 HydrophobicContact CE2-CG1 4.3Å; Y13-V100 HydrophobicContact CG-CB 4.36Å; Y13-V100 HydrophobicContact CG-CG1 3.63Å; Y13-V100 HydrophobicContact CG-CG2 4.26Å; Y13-R101 HydrophobicContact CE2-CB 4.02Å
14V88.4Confident85.9Confident25 Ų2575.5 Ų75.515%0.15237%0.373CS..EExtended strand (participates in β ladder)trans-113130.2-175.1174.10000110.3Y16 D24 E25 I27 I32V14-Y16 HydrophobicContact CG1-CD1 4.33Å; V14-Y16 HydrophobicContact CG1-CE1 4.1Å; V14-D24 WeakPolarHBondContact O-CA 3.27Å; V14-E25 PolarHBondContact N-O 3.31Å; V14-E25 PolarHBondContact O-N 3.19Å; V14-I27 HydrophobicContact CB-CD1 4.15Å; V14-I27 HydrophobicContact CB-CG1 4.45Å; V14-I27 HydrophobicContact CG2-CD1 3.53Å; V14-I27 HydrophobicContact CG2-CG1 3.72Å; V14-I32 HydrophobicContact CG2-CD1 4.13Å
15H85.6Confident86.1Confident65 Ų6575.9 Ų75.930%0.30138%0.378SS..  trans-106126.9167.9170.955.9000108.7D24H15-D24 WeakPolarHBondContact CA-OD1 3.47Å; H15-D24 IonicContact CE1-OD1 3.18Å; H15-D24 IonicContact CG-OD1 3.82Å; H15-D24 IonicContact CG-OD2 2.73Å; H15-D24 IonicContact ND1-OD1 3.48Å; H15-D24 PolarHBondContact ND1-OD1 3.26Å; H15-D24 IonicContact ND1-OD2 3.67Å; H15-D24 PolarHBondContact ND1-OD2 2.77Å
16Y86.7Confident86.3Confident80 Ų8072 Ų7231%0.31436%0.358SS..  trans-86.5114.1179.3-60.8-77.8000110V14 D18 Y19 L23 E25V14-Y16 HydrophobicContact CG1-CD1 4.33Å; V14-Y16 HydrophobicContact CG1-CE1 4.1Å; Y16-D18 PolarHBondContact O-N 3.21Å; Y16-Y19 PolarHBondContact O-N 2.78Å; Y16-Y19 VanDerWaalsContact O-N 3.12Å; Y16-L23 HydrophobicContact CD2-CB 4.18Å; Y16-L23 WeakPolarHBondContact CE2-O 3.41Å; Y16-E25 HydrophobicContact CE2-CG 4.18Å; Y16-E25 PolarHBondContact OH-OE1 3.47Å
17L84Confident86.7Confident123 Ų12368.8 Ų68.864%0.64435%0.345SS*.THydrogen-bonded Turntrans-58.5136.4-179.5-63.4178000111.2Y19L17-Y19 WeakPolarHBondContact O-CD2 3.36Å; L17-Y19 PolarHBondContact O-N 3.35Å
18D83Confident87Confident131 Ų13163.5 Ų63.570%0.70132%0.319SS*.THydrogen-bonded Turntrans64.95.1-176.9-54.6-40.8000115.5Y16 L88Y16-D18 PolarHBondContact O-N 3.21Å; D18-L88 HydrophobicContact CB-CD2 4.35Å
19Y83.4Confident87.1Confident152 Ų15261.4 Ų61.460%0.59629%0.294SS*.SBendtrans-105.3161.6174.2-71.8-91.2000112.1Y16 L17 R21 L23Y16-Y19 PolarHBondContact O-N 2.78Å; Y16-Y19 VanDerWaalsContact O-N 3.12Å; L17-Y19 WeakPolarHBondContact O-CD2 3.36Å; L17-Y19 PolarHBondContact O-N 3.35Å; Y19-R21 PolarHBondContact O-N 2.95Å; Y19-L23 HydrophobicContact CD1-CD1 4.17Å
20N83.3Confident87.1Confident54 Ų5461 Ų6129%0.28930%0.299SS..  trans-65.2130178.2-169.4-52.7000110.8R22 L23 D273N20-R22 PolarHBondContact ND2-NH1 3.21Å; N20-R22 PolarHBondContact O-N 2.9Å; N20-R22 WeakPolarHBondContact OD1-CB 3.23Å; N20-R22 VanDerWaalsContact OD1-CG 3.22Å; N20-R22 WeakPolarHBondContact OD1-CG 3.32Å; N20-R22 PolarHBondContact OD1-N 3.1Å; N20-L23 VanDerWaalsContact O-CB 3.3Å; N20-L23 WeakPolarHBondContact O-CB 3.5Å; N20-L23 WeakPolarHBondContact O-CG 3.36Å; N20-L23 PolarHBondContact O-N 3.03Å; N20-D273 PolarHBondContact ND2-OD2 2.99Å
21R85.3Confident87.1Confident55 Ų5566.3 Ų66.321%0.20832%0.318CS..G310 helixtrans-59.9-14.6179.8-68.3-175.967.1-158.3-1.1115.1Y19 L23 D24 Y117 D190Y19-R21 PolarHBondContact O-N 2.95Å; R21-L23 PolarHBondContact O-N 2.89Å; R21-D24 WeakPolarHBondContact CA-OD1 3.45Å; R21-D24 IonicContact NE-OD2 2.67Å; R21-D24 VanDerWaalsContact O-CB 3.27Å; R21-D24 WeakPolarHBondContact O-CB 3.46Å; R21-D24 PolarHBondContact O-N 2.82Å; R21-D24 VanDerWaalsContact O-N 3.08Å; R21-Y117 HydrophobicContact CB-CE1 3.93Å; R21-D190 WeakPolarHBondContact CD-OD2 3.45Å; R21-D190 IonicContact CZ-OD1 2.77Å; R21-D190 IonicContact CZ-OD2 3.51Å; R21-D190 IonicContact NE-OD2 3.83Å; R21-D190 IonicContact NH1-OD1 3.24Å; R21-D190 PolarHBondContact NH1-OD1 2.79Å; R21-D190 IonicContact NH1-OD2 2.65Å; R21-D190 PolarHBondContact NH1-OD2 3.4Å; R21-D190 IonicContact NH2-OD1 3.89Å
22R86.6Confident86.8Confident52 Ų5267.4 Ų67.420%0.19632%0.323CS..G310 helixtrans-63.8-17.9169.4-64.1177.4-166.4118.95.3112.9N20 W116 Y117 D273N20-R22 PolarHBondContact ND2-NH1 3.21Å; N20-R22 PolarHBondContact O-N 2.9Å; N20-R22 WeakPolarHBondContact OD1-CB 3.23Å; N20-R22 VanDerWaalsContact OD1-CG 3.22Å; N20-R22 WeakPolarHBondContact OD1-CG 3.32Å; N20-R22 PolarHBondContact OD1-N 3.1Å; R22-W116 HydrophobicContact CB-CG 4.41Å; R22-W116 HydrophobicContact CG-CB 4.14Å; R22-W116 HydrophobicContact CG-CD2 3.88Å; R22-W116 HydrophobicContact CG-CE3 3.91Å; R22-W116 HydrophobicContact CG-CG 4.02Å; R22-W116 VanDerWaalsContact NE-CZ3 3.28Å; R22-Y117 HydrophobicContact CG-CE1 4.33Å; R22-Y117 VanDerWaalsContact CG-OH 3.23Å; R22-Y117 WeakPolarHBondContact CG-OH 3.33Å; R22-Y117 PolarHBondContact NE-OH 3.41Å; R22-D273 IonicContact CZ-OD1 3.55Å; R22-D273 VanDerWaalsContact CZ-OD1 3.32Å; R22-D273 IonicContact CZ-OD2 3.56Å; R22-D273 VanDerWaalsContact NH1-CG 3.31Å; R22-D273 IonicContact NH1-OD1 3.46Å; R22-D273 PolarHBondContact NH1-OD1 3.44Å; R22-D273 IonicContact NH1-OD2 3.49Å; R22-D273 PolarHBondContact NH1-OD2 2.88Å; R22-D273 IonicContact NH2-OD1 2.76Å; R22-D273 PolarHBondContact NH2-OD1 2.78Å; R22-D273 IonicContact NH2-OD2 2.94Å
23L86.7Confident86.6Confident92 Ų9269.8 Ų69.848%0.48234%0.339SS..G310 helixtrans-85.9-8.7175.5-58.9176.7000112.5Y16 Y19 N20 R21 E25Y16-L23 HydrophobicContact CD2-CB 4.18Å; Y16-L23 WeakPolarHBondContact CE2-O 3.41Å; Y19-L23 HydrophobicContact CD1-CD1 4.17Å; N20-L23 VanDerWaalsContact O-CB 3.3Å; N20-L23 WeakPolarHBondContact O-CB 3.5Å; N20-L23 WeakPolarHBondContact O-CG 3.36Å; N20-L23 PolarHBondContact O-N 3.03Å; R21-L23 PolarHBondContact O-N 2.89Å; L23-E25 PolarHBondContact O-N 2.91Å
24D88.9Confident86.1Confident2 Ų274.1 Ų74.11%0.01136%0.358CS..  trans-60.8134.3179.1-64.3-1.5000110.3Y13 V14 H15 R21Y13-D24 HydrophobicContact CE1-CB 4.06Å; Y13-D24 HydrophobicContact CE2-CB 4.17Å; Y13-D24 VanDerWaalsContact OH-CB 3.23Å; Y13-D24 WeakPolarHBondContact OH-CB 3.47Å; V14-D24 WeakPolarHBondContact O-CA 3.27Å; H15-D24 WeakPolarHBondContact CA-OD1 3.47Å; H15-D24 IonicContact CE1-OD1 3.18Å; H15-D24 IonicContact CG-OD1 3.82Å; H15-D24 IonicContact CG-OD2 2.73Å; H15-D24 IonicContact ND1-OD1 3.48Å; H15-D24 PolarHBondContact ND1-OD1 3.26Å; H15-D24 IonicContact ND1-OD2 3.67Å; H15-D24 PolarHBondContact ND1-OD2 2.77Å; R21-D24 WeakPolarHBondContact CA-OD1 3.45Å; R21-D24 IonicContact NE-OD2 2.67Å; R21-D24 VanDerWaalsContact O-CB 3.27Å; R21-D24 WeakPolarHBondContact O-CB 3.46Å; R21-D24 PolarHBondContact O-N 2.82Å; R21-D24 VanDerWaalsContact O-N 3.08Å
25E89.6Confident85.7Confident82 Ų8277.7 Ų77.738%0.38339%0.385SS..EExtended strand (participates in β ladder)trans-149.7166.1-171.466.2177.3145.500113.3Y13 V14 Y16 L23 I27Y13-E25 WeakPolarHBondContact CA-O 3.37Å; V14-E25 PolarHBondContact N-O 3.31Å; V14-E25 PolarHBondContact O-N 3.19Å; Y16-E25 HydrophobicContact CE2-CG 4.18Å; Y16-E25 PolarHBondContact OH-OE1 3.47Å; L23-E25 PolarHBondContact O-N 2.91Å; E25-I27 HydrophobicContact CG-CG2 3.7Å
26W88Confident84.8Confident40 Ų4077.2 Ų77.215%0.15239%0.388CS..EExtended strand (participates in β ladder)trans-94114.6173.2-72.8101000109.1A2 R4 V11 Y12 Y13 V100 R101A2-W26 HydrophobicContact CB-CH2 4.23Å; R4-W26 HydrophobicContact CB-CH2 4.23Å; R4-W26 HydrophobicContact CB-CZ3 4.31Å; R4-W26 HydrophobicContact CG-CE3 4.04Å; R4-W26 HydrophobicContact CG-CH2 3.82Å; R4-W26 HydrophobicContact CG-CZ2 4.28Å; R4-W26 HydrophobicContact CG-CZ3 3.7Å; V11-W26 HydrophobicContact CB-CE3 4.4Å; V11-W26 HydrophobicContact CG2-CD2 4.44Å; V11-W26 HydrophobicContact CG2-CE3 3.8Å; V11-W26 HydrophobicContact CG2-CZ3 4.39Å; Y12-W26 VanDerWaalsContact C-CE3 3.41Å; Y12-W26 CarbonylContact O-C 3.48Å; Y12-W26 WeakPolarHBondContact O-CA 3.23Å; Y13-W26 AromaticContact CD2-CD1 3.9Å; Y13-W26 AromaticContact CD2-CD2 3.9Å; Y13-W26 HydrophobicContact CD2-CD2 3.9Å; Y13-W26 AromaticContact CD2-CE2 3.77Å; Y13-W26 HydrophobicContact CD2-CG 4.05Å; Y13-W26 HydrophobicContact CD2-CZ2 4.38Å; Y13-W26 AromaticContact CD2-NE1 3.72Å; Y13-W26 HydrophobicContact CG-CD2 4.44Å; Y13-W26 VanDerWaalsContact N-CE3 3.3Å; W26-V100 HydrophobicContact CH2-CG1 3.75Å; W26-V100 HydrophobicContact CZ2-CG1 3.13Å; W26-R101 PolarHBondContact NE1-O 3.36Å
27I89.2Confident83.3Confident19 Ų1981 Ų8110%0.09741%0.414CS..EExtended strand (participates in β ladder)trans-112.8141.2178.367.1-179000111.8V11 Y12 V14 E25 I32V11-I27 CarbonylContact C-O 3.57Å; V11-I27 WeakPolarHBondContact CA-O 3.46Å; Y12-I27 PolarHBondContact N-O 2.91Å; Y12-I27 PolarHBondContact O-N 3.08Å; V14-I27 HydrophobicContact CB-CD1 4.15Å; V14-I27 HydrophobicContact CB-CG1 4.45Å; V14-I27 HydrophobicContact CG2-CD1 3.53Å; V14-I27 HydrophobicContact CG2-CG1 3.72Å; E25-I27 HydrophobicContact CG-CG2 3.7Å; I27-I32 HydrophobicContact CD1-CD1 3.74Å; I27-I32 HydrophobicContact CD1-CG1 3.44Å; I27-I32 VanDerWaalsContact CD1-CG1 3.44Å; I27-I32 HydrophobicContact CG1-CD1 3.72Å; I27-I32 HydrophobicContact CG1-CG1 3.81Å
28P88.8Confident81.8Confident38 Ų3882.7 Ų82.725%0.24742%0.418CS..EExtended strand (participates in β ladder)trans-58.5148.3170.7-27.237.8000113.3V11 D30 K31V11-P28 HydrophobicContact CG1-CG 4.46Å; P28-D30 WeakPolarHBondContact CB-OD1 3.38Å; P28-D30 PolarHBondContact O-N 3.41Å; P28-K31 PolarHBondContact O-N 3.44Å
29A87.1Confident80.1Confident31 Ų3182 Ų8226%0.25642%0.421SS..G310 helixtrans-56.2-33.2-179.800000113.6T10 Y12 K31 I32 F34T10-A29 PolarHBondContact O-N 3.33Å; T10-A29 VanDerWaalsContact O-N 3.1Å; Y12-A29 HydrophobicContact CD2-CB 4.2Å; Y12-A29 HydrophobicContact CE2-CB 3.75Å; A29-K31 PolarHBondContact O-N 2.99Å; A29-I32 PolarHBondContact O-N 3.36Å; A29-I32 VanDerWaalsContact O-N 3.07Å; A29-F34 HydrophobicContact CB-CE2 4.41Å
30D87.8Confident78.4Confident130 Ų13083 Ų8370%0.69543%0.428SS*.G310 helixtrans-67.1-15.9178.355.2-62.1000113.8P28P28-D30 WeakPolarHBondContact CB-OD1 3.38Å; P28-D30 PolarHBondContact O-N 3.41Å
31K87.4Confident76.4Confident153 Ų15383.3 Ų83.367%0.66545%0.445SS*.G310 helixtrans-89.8-3.9173.1-65-165.4176.7-175.20113.6P28 A29P28-K31 PolarHBondContact O-N 3.44Å; A29-K31 PolarHBondContact O-N 2.99Å
32I85Confident74.1Confident35 Ų3590.3 Ų90.318%0.17948%0.477CS..  trans-107.9119.8-178.7-57.1-178.8000109Y12 V14 I27 A29 F34Y12-I32 HydrophobicContact CD2-CD1 3.86Å; Y12-I32 HydrophobicContact CG-CD1 3.87Å; V14-I32 HydrophobicContact CG2-CD1 4.13Å; I27-I32 HydrophobicContact CD1-CD1 3.74Å; I27-I32 HydrophobicContact CD1-CG1 3.44Å; I27-I32 VanDerWaalsContact CD1-CG1 3.44Å; I27-I32 HydrophobicContact CG1-CD1 3.72Å; I27-I32 HydrophobicContact CG1-CG1 3.81Å; A29-I32 PolarHBondContact O-N 3.36Å; A29-I32 VanDerWaalsContact O-N 3.07Å; I32-F34 HydrophobicContact CB-CD2 4.18Å; I32-F34 HydrophobicContact CB-CE1 4.28Å; I32-F34 HydrophobicContact CB-CE2 3.67Å; I32-F34 HydrophobicContact CB-CZ 3.72Å; I32-F34 HydrophobicContact CD1-CE1 4.47Å; I32-F34 HydrophobicContact CD1-CZ 3.96Å; I32-F34 HydrophobicContact CG1-CZ 4.4Å; I32-F34 HydrophobicContact CG2-CD1 3.88Å; I32-F34 HydrophobicContact CG2-CD2 4.05Å; I32-F34 HydrophobicContact CG2-CE1 3.66Å; I32-F34 HydrophobicContact CG2-CE2 3.84Å; I32-F34 HydrophobicContact CG2-CG 4.07Å; I32-F34 HydrophobicContact CG2-CZ 3.63Å; I32-F34 WeakPolarHBondContact O-CD2 3.43Å; I32-F34 PolarHBondContact O-N 3.24Å
33D84.5Confident71.6Confident94 Ų9494.1 Ų94.150%0.50351%0.506SS..  trans-78.8100.1164.6178.618.3000109.3S35 S36D33-S35 PolarHBondContact O-N 2.95Å; D33-S35 VanDerWaalsContact OD1-CB 3.28Å; D33-S35 WeakPolarHBondContact OD1-CB 3.26Å; D33-S35 PolarHBondContact OD1-N 2.89Å; D33-S35 PolarHBondContact OD1-OG 3.14Å; D33-S35 PolarHBondContact OD2-OG 3.41Å; D33-S36 VanDerWaalsContact CG-OG 3.29Å; D33-S36 PolarHBondContact O-OG 2.93Å; D33-S36 PolarHBondContact OD2-OG 2.81Å
34F79.7Confident69Low103 Ų10392.6 Ų92.645%0.45251%0.512SS..  trans-78.5-6.8175.4-65.5-79.4000113.2Y12 A29 I32Y12-F34 AromaticContact CD2-CZ 3.95Å; Y12-F34 HydrophobicContact CD2-CZ 3.95Å; Y12-F34 HydrophobicContact CE1-CE1 4.41Å; Y12-F34 HydrophobicContact CE1-CZ 4.27Å; Y12-F34 HydrophobicContact CE2-CE1 4.44Å; Y12-F34 HydrophobicContact CE2-CE2 4.3Å; Y12-F34 AromaticContact CE2-CZ 3.55Å; Y12-F34 HydrophobicContact CE2-CZ 3.55Å; Y12-F34 HydrophobicContact CG-CZ 4.47Å; Y12-F34 AromaticContact CZ-CZ 3.73Å; A29-F34 HydrophobicContact CB-CE2 4.41Å; I32-F34 HydrophobicContact CB-CD2 4.18Å; I32-F34 HydrophobicContact CB-CE1 4.28Å; I32-F34 HydrophobicContact CB-CE2 3.67Å; I32-F34 HydrophobicContact CB-CZ 3.72Å; I32-F34 HydrophobicContact CD1-CE1 4.47Å; I32-F34 HydrophobicContact CD1-CZ 3.96Å; I32-F34 HydrophobicContact CG1-CZ 4.4Å; I32-F34 HydrophobicContact CG2-CD1 3.88Å; I32-F34 HydrophobicContact CG2-CD2 4.05Å; I32-F34 HydrophobicContact CG2-CE1 3.66Å; I32-F34 HydrophobicContact CG2-CE2 3.84Å; I32-F34 HydrophobicContact CG2-CG 4.07Å; I32-F34 HydrophobicContact CG2-CZ 3.63Å; I32-F34 WeakPolarHBondContact O-CD2 3.43Å; I32-F34 PolarHBondContact O-N 3.24Å
35S79.2Confident66.2Low101 Ų10198 Ų9871%0.70655%0.55SS**SBendtrans-78.7-25.1-177.774.20000112.7D33 N37D33-S35 PolarHBondContact O-N 2.95Å; D33-S35 VanDerWaalsContact OD1-CB 3.28Å; D33-S35 WeakPolarHBondContact OD1-CB 3.26Å; D33-S35 PolarHBondContact OD1-N 2.89Å; D33-S35 PolarHBondContact OD1-OG 3.14Å; D33-S35 PolarHBondContact OD2-OG 3.41Å; S35-N37 PolarHBondContact O-N 3.35Å
36S66.6Low63.1Low54 Ų54100.5 Ų100.538%0.37858%0.576SS.*  trans-86.991.1-179.2310000111.4D33 E38D33-S36 VanDerWaalsContact CG-OG 3.29Å; D33-S36 PolarHBondContact O-OG 2.93Å; D33-S36 PolarHBondContact OD2-OG 2.81Å; S36-E38 PolarHBondContact O-N 2.97Å
37N55.7Low60.2Low159 Ų159105.9 Ų105.985%0.8561%0.606SS**  trans-74.8-2.7170.6-94.5-9.3000113.7S35S35-N37 PolarHBondContact O-N 3.35Å
38E52Low57.2Low159 Ų159111.2 Ų111.274%0.74364%0.642SS**SBendtrans-90.7123.1179.9-69.3-170.3163.700111S36 K40S36-E38 PolarHBondContact O-N 2.97Å; E38-K40 PolarHBondContact O-N 2.8Å
39P48.2Very low54.3Low116 Ų116114.4 Ų114.475%0.75367%0.666SS**  trans-62.2104.5162.625.6-28.9000106.3G41P39-G41 PolarHBondContact O-N 3.3Å
40K47.7Very low51.4Low173 Ų173122.1 Ų122.175%0.75270%0.696SS**  trans-59.588.2173.7-72.9-175.6179.9174.80108.2E38 K42E38-K40 PolarHBondContact O-N 2.8Å; K40-K42 PolarHBondContact O-N 2.83Å
41G40.5Very low48.3Very low61 Ų61125.3 Ų125.363%0.62970%0.704SS**  trans-64.1114.9177.600000108.7P39 T43P39-G41 PolarHBondContact O-N 3.3Å; G41-T43 PolarHBondContact O-N 2.99Å; G41-T43 VanDerWaalsContact O-N 3.16Å
42K37.6Very low45.3Very low203 Ų203127.3 Ų127.388%0.88372%0.716SS**  trans43.458.6153-58.4-177.4179.1-1800115.3K40 G44K40-K42 PolarHBondContact O-N 2.83Å; K42-G44 PolarHBondContact O-N 2.9Å
43T33.4Very low42.3Very low131 Ų131135.3 Ų135.380%0.80475%0.749SS**  trans-77.7102.3156.550.70000107.6G41G41-T43 PolarHBondContact O-N 2.99Å; G41-T43 VanDerWaalsContact O-N 3.16Å
44G31.3Very low39.3Very low60 Ų60141.8 Ų141.862%0.61977%0.768SS**  trans-62.4162-177.300000114.8K42K42-G44 PolarHBondContact O-N 2.9Å
45S31Very low36.5Very low116 Ų116146.6 Ų146.681%0.81178%0.783SS**  trans5484.4147.362.80000117.6L47S45-L47 PolarHBondContact O-N 2.7Å
46C24.5Very low34Very low135 Ų135147.7 Ų147.791%0.91279%0.791SS**  trans-81.580.1147.9-81.20000109.5
47L27.5Very low32Very low152 Ų152153.5 Ų153.580%0.79681%0.809SS**SBendtrans-146.7128.1155-79.1178.5000108.8S45 S49S45-L47 PolarHBondContact O-N 2.7Å; L47-S49 PolarHBondContact O-N 2.79Å
48P25.8Very low30.5Very low131 Ų131149.7 Ų149.785%0.85181%0.807SS**  trans-74.9112.9-176.2-1.918.9000109.7E50P48-E50 PolarHBondContact O-N 2.79Å
49S27.4Very low29.1Very low106 Ų106148.9 Ų148.974%0.74181%0.813SS**  trans-82.6107.917656.90000110.7L47 K51L47-S49 PolarHBondContact O-N 2.79Å; S49-K51 PolarHBondContact O-N 3.44Å
50E26.6Very low28Very low193 Ų193149.4 Ų149.490%0.90281%0.814SS**  trans-66.7126.6165.4-81.4-174.5149.300110.5P48 Q52P48-E50 PolarHBondContact O-N 2.79Å; E50-Q52 PolarHBondContact O-N 2.84Å
51K22.8Very low26.8Very low196 Ų196152 Ų15285%0.85282%0.819SS**  trans-79.3103-173.6-65.2174.2177.5174.10110.4S49S49-K51 PolarHBondContact O-N 3.44Å
52Q24.7Very low26.1Very low195 Ų195156.3 Ų156.391%0.91182%0.821SS**  trans-103.8109.2159.6-77.1-171.8-6.400110.6E50 Y54E50-Q52 PolarHBondContact O-N 2.84Å; Q52-Y54 PolarHBondContact O-N 3.23Å
53K21.9Very low25.6Very low203 Ų203153.7 Ų153.788%0.88381%0.812SS**  trans-69.1110.9178.1-74168.8172.3171.50110.1
54Y21.7Very low25Very low231 Ų231157 Ų15791%0.90682%0.815SS**  trans-109.2119.5158.8-127.5-97.1000109.5Q52 S56Q52-Y54 PolarHBondContact O-N 3.23Å; Y54-S56 PolarHBondContact O-N 3.09Å
55R21.4Very low24.8Very low204 Ų204161.8 Ų161.877%0.7783%0.825SS**  trans-79109.2-178.6-76.4162.773.6-174.47.2109.3
56S25.8Very low24.4Very low124 Ų124164.4 Ų164.487%0.86782%0.824SS**  trans-95111.9164.550.20000109.6Y54Y54-S56 PolarHBondContact O-N 3.09Å
57K24.3Very low24.3Very low176 Ų176162.1 Ų162.177%0.76582%0.815SS**  trans-105.7140.7173.3-83-175.3170.9-174.40109.3
58G24.4Very low24.2Very low78 Ų78164.1 Ų164.180%0.80482%0.82SS**  trans114.976.6149.100000115.6
59V21.8Very low24Very low142 Ų142167.4 Ų167.486%0.86182%0.824SS**  trans-85.2126.7157.5169.30000107.9
60T25.4Very low24Very low128 Ų128165.9 Ų165.979%0.78583%0.825SS**  trans-168.2107.9155.524.90000107.3
61R22.2Very low23.9Very low227 Ų227166.1 Ų166.186%0.85783%0.826SS**  75111.281.9-163.3-170.7-166.6178.45112.8
62K25.9Very low24.1Very low152 Ų152165.6 Ų165.666%0.66183%0.827SS**  trans156.6121.6132.8-92.2178159.6-123.50111.6
63E27.4Very low24.1Very low147 Ų147164 Ų16469%0.68782%0.824SS**  94.795.7112.7-75.6166178.600110.5
64K21.5Very low24.5Very low201 Ų201161.5 Ų161.587%0.87482%0.821SS**  49.7126.481-112.7-170.2-175-174.20113.2
65I26Very low24.8Very low160 Ų160157.5 Ų157.582%0.82182%0.815SS**  trans123.5135.6169.6-69.4159.7000108.1
66Q23.3Very low25.2Very low171 Ų171153.1 Ų153.180%0.79981%0.807SS**  cis179.4139.1-12.8-168.2167.322.400103.8
67A22.1Very low25.6Very low87 Ų87152.7 Ų152.772%0.71980%0.801SS**  trans34.8120.3155.400000120.6
68Q26.9Very low26Very low195 Ų195150.5 Ų150.591%0.91180%0.798SS**  -172.3136.8116.3-105.8169.6-8.700111.6
69E20.9Very low26.3Very low200 Ų200151.8 Ų151.894%0.93579%0.794SS**  trans-67.4134.6176.7-63.4160.115900110
70G26.5Very low26.9Very low73 Ų73150.7 Ų150.775%0.75379%0.79SS**  trans-166.6103176.400000109.2E72G70-E72 PolarHBondContact O-N 3Å
71E24.3Very low27.2Very low198 Ų198151.9 Ų151.993%0.92579%0.79SS**  trans-59.6111.7177-60.5168.9141.800110.9
72E26.8Very low27.8Very low186 Ų186147 Ų14787%0.86979%0.788SS**  trans-140116.1157.8-76.2-167.4160.400110.5G70 N74G70-E72 PolarHBondContact O-N 3Å; E72-N74 PolarHBondContact O-N 3.34Å; E72-N74 VanDerWaalsContact O-N 3.08Å
73N26.3Very low27.8Very low161 Ų161142.6 Ų142.686%0.86179%0.786SS**  trans-46.8108.5164.9-87-30.1000109.9
74N29.1Very low27.8Very low151 Ų151139.3 Ų139.381%0.80779%0.791SS**  trans-119.388.4163.9-139.3-7.7000107.1E72 N76E72-N74 PolarHBondContact O-N 3.34Å; E72-N74 VanDerWaalsContact O-N 3.08Å; N74-N76 PolarHBondContact O-N 2.86Å
75D29.2Very low28.3Very low147 Ų147136.6 Ų136.679%0.78679%0.786SS**  trans-58.287.4166.4-77.4-42.5000107.8P77D75-P77 WeakPolarHBondContact O-CD 3.45Å
76N29.7Very low28.6Very low111 Ų111132.9 Ų132.959%0.59479%0.787SS**  trans-70.8112.2179-172.117.8000108.3N74 D78N74-N76 PolarHBondContact O-N 2.86Å; N76-D78 PolarHBondContact ND2-OD2 2.74Å; N76-D78 PolarHBondContact O-N 2.65Å
77P33.6Very low29.1Very low115 Ų115129.4 Ų129.475%0.74778%0.782SS**  trans-82.358.817735.4-28.8000108.9D75 S79D75-P77 WeakPolarHBondContact O-CD 3.45Å; P77-S79 PolarHBondContact O-N 2.92Å
78D32.4Very low29.7Very low130 Ų130130.7 Ų130.770%0.69578%0.776SS**  trans-79.963.4169-98.9-27.7000108.9N76 P80N76-D78 PolarHBondContact ND2-OD2 2.74Å; N76-D78 PolarHBondContact O-N 2.65Å; D78-P80 WeakPolarHBondContact O-CD 3.47Å
79S31.4Very low30.3Very low105 Ų105131.3 Ų131.373%0.73477%0.77SS**  trans-92.6111.1162.1-76.90000108.4P77 I81P77-S79 PolarHBondContact O-N 2.92Å; S79-I81 PolarHBondContact O-N 3.2Å
80P34.4Very low31Very low120 Ų120133.5 Ų133.578%0.77977%0.77SS**  trans-66.4120.6-170.523-31.3000111.7D78 P82D78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-P82 WeakPolarHBondContact O-CD 3.3Å
81I31.8Very low31.5Very low152 Ų152134.1 Ų134.178%0.77976%0.759SS**  trans-55.2122.4168.2-59.7168000108.4S79 G83S79-I81 PolarHBondContact O-N 3.2Å; I81-G83 PolarHBondContact O-N 2.7Å
82P33.5Very low32.1Very low125 Ų125130.9 Ų130.981%0.81275%0.748SS**  trans-68.6102.2174.6-13.227.5000108.9P80P80-P82 WeakPolarHBondContact O-CD 3.3Å
83G27.5Very low32.6Very low60 Ų60127.5 Ų127.562%0.61974%0.736SS**  trans-50.1137179.200000112.8I81 N85I81-G83 PolarHBondContact O-N 2.7Å; G83-N85 PolarHBondContact O-N 2.88Å
84G26.9Very low33.3Very low77 Ų77126.9 Ų126.979%0.79473%0.732SS**SBendtrans-68.929.2-173.400000117.2
85N32.3Very low34.2Very low145 Ų145125.6 Ų125.678%0.77573%0.725SS**SBendtrans-92.9119.8165.7-73.1-0.6000107.3G83 S87G83-N85 PolarHBondContact O-N 2.88Å; N85-S87 WeakPolarHBondContact O-CA 3.33Å; N85-S87 PolarHBondContact O-N 2.85Å
86G32.7Very low35.1Very low81 Ų81124 Ų12484%0.83571%0.712SS**  trans-38.5100.2178.200000110.1L88G86-L88 VanDerWaalsContact C-N 3.25Å; G86-L88 PolarHBondContact O-N 3.07Å
87S31.8Very low36Very low99 Ų99124.7 Ų124.769%0.69272%0.719SS**  trans-73.594.5-170.2-167.60000105.5N85 R89N85-S87 WeakPolarHBondContact O-CA 3.33Å; N85-S87 PolarHBondContact O-N 2.85Å; S87-R89 PolarHBondContact O-N 3.25Å
88L34.7Very low37.2Very low113 Ų113121.6 Ų121.659%0.59270%0.698SS**  trans-56.373.2151.7-142.882.4000105.2D18 G86 R90D18-L88 HydrophobicContact CB-CD2 4.35Å; G86-L88 VanDerWaalsContact C-N 3.25Å; G86-L88 PolarHBondContact O-N 3.07Å; L88-R90 PolarHBondContact O-N 3.03Å
89R39.6Very low39.3Very low209 Ų209122 Ų12279%0.78969%0.69SS**  trans-52.3117.5167.6-79.7-172.1164.5-158.5-3.7103.3S87 V91S87-R89 PolarHBondContact O-N 3.25Å; R89-V91 VanDerWaalsContact O-CG2 3.31Å; R89-V91 WeakPolarHBondContact O-CG2 3.32Å; R89-V91 PolarHBondContact O-N 3.48Å
90R35.8Very low41.8Very low245 Ų245118.7 Ų118.793%0.92567%0.666SS**  trans-5491.1179.7-66.2169.990-170.95.9106.3L88 N92L88-R90 PolarHBondContact O-N 3.03Å; R90-N92 PolarHBondContact O-N 3.49Å
91V38.4Very low44.4Very low87 Ų87113.7 Ų113.753%0.52763%0.631SS.*  trans-62.2126.2-179.7178.50000105R89 D95R89-V91 VanDerWaalsContact O-CG2 3.31Å; R89-V91 WeakPolarHBondContact O-CG2 3.32Å; R89-V91 PolarHBondContact O-N 3.48Å; V91-D95 HydrophobicContact CG1-CB 4.46Å
92N35.9Very low47.3Very low130 Ų130107.9 Ų107.970%0.69560%0.602SS**  trans-48.6147.9-175-78.6-20.9000111.2R90 D94R90-N92 PolarHBondContact O-N 3.49Å; N92-D94 PolarHBondContact O-N 3.24Å
93N37.2Very low50.2Low114 Ų114102.1 Ų102.161%0.6156%0.564SS**G310 helixtrans-62.5-15.1-168.9-147.831.6000114K96N93-K96 VanDerWaalsContact O-CB 3.27Å; N93-K96 WeakPolarHBondContact O-CB 3.23Å; N93-K96 VanDerWaalsContact O-CG 3.3Å; N93-K96 WeakPolarHBondContact O-CG 3.3Å; N93-K96 VanDerWaalsContact OD1-CD 3.23Å; N93-K96 WeakPolarHBondContact OD1-CD 3.4Å; N93-K96 VanDerWaalsContact OD1-CE 3.22Å; N93-K96 WeakPolarHBondContact OD1-CE 3.48Å; N93-K96 PolarHBondContact OD1-NZ 3.36Å
94D42.3Very low53.3Low148 Ų148100.9 Ų100.979%0.79154%0.542SS*.G310 helixtrans-89.4-21.8-168.9-61.3-27.2000114.1N92 K96N92-D94 PolarHBondContact O-N 3.24Å; D94-K96 PolarHBondContact O-N 3.24Å
95D47.1Very low56.5Low124 Ų12499.7 Ų99.766%0.66352%0.516SS*.G310 helixtrans-75.6-0.4172.2-75.6-22.6000112.6V91 V97V91-D95 HydrophobicContact CG1-CB 4.46Å; D95-V97 VanDerWaalsContact C-N 3.32Å; D95-V97 PolarHBondContact O-N 3.35Å
96K47.1Very low59.6Low114 Ų11492.8 Ų92.850%0.49648%0.479SS..  trans-83.518-169.5-64.6-172.2179.8173.80115.9N93 D94 T98N93-K96 VanDerWaalsContact O-CB 3.27Å; N93-K96 WeakPolarHBondContact O-CB 3.23Å; N93-K96 VanDerWaalsContact O-CG 3.3Å; N93-K96 WeakPolarHBondContact O-CG 3.3Å; N93-K96 VanDerWaalsContact OD1-CD 3.23Å; N93-K96 WeakPolarHBondContact OD1-CD 3.4Å; N93-K96 VanDerWaalsContact OD1-CE 3.22Å; N93-K96 WeakPolarHBondContact OD1-CE 3.48Å; N93-K96 PolarHBondContact OD1-NZ 3.36Å; D94-K96 PolarHBondContact O-N 3.24Å; K96-T98 PolarHBondContact O-N 2.94Å
97V50.6Low62.6Low125 Ų12590.4 Ų90.476%0.75845%0.446SS*.  trans-70.381.8157.7-172.80000106D95 R99D95-V97 VanDerWaalsContact C-N 3.32Å; D95-V97 PolarHBondContact O-N 3.35Å; V97-R99 PolarHBondContact O-N 2.72Å
98T56.9Low65.5Low50 Ų5086 Ų8631%0.30742%0.415SS..  trans-5793.9176.840.10000106.4K96 V100K96-T98 PolarHBondContact O-N 2.94Å; T98-V100 PolarHBondContact O-N 2.56Å
99R77Confident68.2Low139 Ų13982.1 Ų82.153%0.52540%0.402SS..  trans-62.9112176.9-68.6-165.8-177.8-167.41.7106.8V97 F118V97-R99 PolarHBondContact O-N 2.72Å; R99-F118 HydrophobicContact CB-CB 3.52Å; R99-F118 HydrophobicContact CB-CD1 3.99Å; R99-F118 HydrophobicContact CB-CD2 4.24Å; R99-F118 HydrophobicContact CB-CG 3.65Å; R99-F118 HydrophobicContact CG-CD1 4.45Å; R99-F118 WeakPolarHBondContact O-CB 3.33Å
100V84.3Confident70.7Confident36 Ų3679.6 Ų79.622%0.21839%0.393CS..  trans-62.3134.4-175.2176.70000108.8A2 Y13 W26 T98 N102 F118A2-V100 HydrophobicContact CB-CB 4.45Å; A2-V100 HydrophobicContact CB-CG1 4.39Å; A2-V100 HydrophobicContact CB-CG2 3.34Å; Y13-V100 HydrophobicContact CD1-CB 4.14Å; Y13-V100 HydrophobicContact CD1-CG1 3.9Å; Y13-V100 HydrophobicContact CD1-CG2 3.84Å; Y13-V100 HydrophobicContact CD2-CG1 3.86Å; Y13-V100 HydrophobicContact CE1-CB 4.36Å; Y13-V100 HydrophobicContact CE1-CG1 4.31Å; Y13-V100 HydrophobicContact CE1-CG2 4.38Å; Y13-V100 HydrophobicContact CE2-CG1 4.3Å; Y13-V100 HydrophobicContact CG-CB 4.36Å; Y13-V100 HydrophobicContact CG-CG1 3.63Å; Y13-V100 HydrophobicContact CG-CG2 4.26Å; W26-V100 HydrophobicContact CH2-CG1 3.75Å; W26-V100 HydrophobicContact CZ2-CG1 3.13Å; T98-V100 PolarHBondContact O-N 2.56Å; V100-N102 PolarHBondContact O-N 3.21Å; V100-F118 WeakPolarHBondContact O-CD2 3.44Å
101R89.9Confident73.5Confident15 Ų1571.1 Ų71.16%0.05736%0.361CS..  trans-55.7114.8172.9-175.6-176.369.5-156-3109.8Y13 W26 I103 P115Y13-R101 HydrophobicContact CE2-CB 4.02Å; W26-R101 PolarHBondContact NE1-O 3.36Å; R101-I103 WeakPolarHBondContact CG-O 3.47Å; R101-P115 WeakPolarHBondContact CD-O 2.91Å; R101-P115 HydrophobicContact CG-CB 4.26Å; R101-P115 PolarHBondContact NH1-O 2.67Å
102N90.9Very high76.3Confident30 Ų3074.2 Ų74.216%0.1636%0.363CS..  trans-100-20.4-173.263.3-37.3000114V100 F118 S119 T126V100-N102 PolarHBondContact O-N 3.21Å; N102-F118 HydrophobicContact CB-CD2 3.94Å; N102-F118 HydrophobicContact CB-CE2 4.22Å; N102-F118 VanDerWaalsContact CG-CD2 3.44Å; N102-F118 WeakPolarHBondContact ND2-CE2 3.45Å; N102-F118 WeakPolarHBondContact OD1-CD2 3.4Å; N102-S119 PolarHBondContact ND2-O 3.47Å; N102-S119 PolarHBondContact OD1-N 3.05Å; N102-S119 VanDerWaalsContact OD1-N 3.09Å; N102-S119 PolarHBondContact OD1-O 3.06Å; N102-T126 HydrophobicContact CB-CG2 4.15Å; N102-T126 WeakPolarHBondContact ND2-CG2 3.11Å
103I94.5Very high79.2Confident4 Ų468.5 Ų68.52%0.02133%0.333CS..  trans-101.9129.8175.2-57.2-56.1000109.5R101 V106 P115 Y121 T126 V131 L187R101-I103 WeakPolarHBondContact CG-O 3.47Å; I103-V106 HydrophobicContact CG2-CG1 3.82Å; I103-P115 HydrophobicContact CB-CG 4Å; I103-P115 HydrophobicContact CG2-CG 3.89Å; I103-Y121 HydrophobicContact CD1-CD2 4.5Å; I103-Y121 HydrophobicContact CG1-CD2 4.13Å; I103-T126 HydrophobicContact CD1-CG2 3.97Å; I103-V131 HydrophobicContact CD1-CG2 4.12Å; I103-V131 HydrophobicContact CG2-CG2 4.13Å; I103-L187 HydrophobicContact CB-CD2 4.04Å; I103-L187 HydrophobicContact CG1-CD2 4.02Å
104E92.4Very high82Confident34 Ų3469.6 Ų69.616%0.15933%0.328CS..  trans-79.1-49-178.7-168.865.2-13700111.8R4 R114 P115R4-E104 IonicContact CZ-OE2 2.78Å; R4-E104 IonicContact NH1-OE2 3.89Å; R4-E104 IonicContact NH2-OE2 3.88Å; R4-E104 PolarHBondContact NH2-OE2 2.95Å; E104-R114 IonicContact OE1-CZ 3.62Å; E104-R114 IonicContact OE1-NE 3.67Å; E104-R114 IonicContact OE1-NH2 3.83Å; E104-R114 PolarHBondContact OE1-NH2 3Å; E104-P115 WeakPolarHBondContact O-CD 3.28Å
105E95.9Very high84.6Confident52 Ų5262.6 Ų62.624%0.24329%0.291CS..  trans-151.1147.4-180-168.5171.671.800110.9R112 R130 V131E105-R112 HydrophobicContact CG-CB 4.21Å; E105-R130 VanDerWaalsContact O-CA 3.32Å; E105-R130 WeakPolarHBondContact O-CA 3.43Å; E105-R130 IonicContact OE1-CZ 3.36Å; E105-R130 IonicContact OE1-NE 3.44Å; E105-R130 PolarHBondContact OE1-NE 3.21Å; E105-R130 IonicContact OE1-NH2 3.14Å; E105-R130 PolarHBondContact OE1-NH2 3.49Å; E105-V131 PolarHBondContact O-N 3.31Å
106V96.6Very high86.8Confident0 Ų059 Ų590%027%0.268CS..EExtended strand (participates in β ladder)trans-117.7141.7166.9-59.30000110.4I103 R112 I113 P115 V131 L133 L187 F188I103-V106 HydrophobicContact CG2-CG1 3.82Å; V106-R112 CarbonylContact O-C 3.58Å; V106-R112 WeakPolarHBondContact O-CA 3.34Å; V106-I113 HydrophobicContact CG2-CB 3.96Å; V106-I113 PolarHBondContact N-O 2.86Å; V106-I113 PolarHBondContact O-N 2.78Å; V106-P115 HydrophobicContact CG1-CG 4.39Å; V106-V131 CarbonylContact C-O 3.54Å; V106-V131 VanDerWaalsContact CA-O 3.3Å; V106-V131 WeakPolarHBondContact CA-O 3.26Å; V106-V131 HydrophobicContact CG1-CB 4.3Å; V106-L133 HydrophobicContact CB-CD1 4.3Å; V106-L187 HydrophobicContact CG1-CD1 3.63Å; V106-L187 HydrophobicContact CG2-CD1 4.32Å; V106-F188 HydrophobicContact CG2-CZ 4.49Å
107E95.5Very high89Confident31 Ų3154.1 Ų54.115%0.14525%0.247CC..EExtended strand (participates in β ladder)trans-109119.8171.7-175.6168.1137.700109.3Y111 R112 R130 V131 Y132 L133E107-Y111 WeakPolarHBondContact CA-O 3.44Å; E107-R112 HydrophobicContact CB-CG 4.29Å; E107-R112 HydrophobicContact CG-CG 4.15Å; E107-R112 IonicContact OE2-CZ 2.79Å; E107-R112 IonicContact OE2-NE 3.84Å; E107-R112 PolarHBondContact OE2-NE 2.98Å; E107-R112 IonicContact OE2-NH2 2.86Å; E107-R130 HydrophobicContact CB-CG 4.13Å; E107-R130 WeakPolarHBondContact OE2-CD 3.31Å; E107-R130 IonicContact OE2-CZ 2.77Å; E107-R130 IonicContact OE2-NE 2.79Å; E107-R130 PolarHBondContact OE2-NE 2.97Å; E107-R130 IonicContact OE2-NH1 2.7Å; E107-R130 PolarHBondContact OE2-NH1 3.48Å; E107-V131 PolarHBondContact N-O 2.94Å; E107-Y132 HydrophobicContact CB-CD1 4.08Å; E107-Y132 HydrophobicContact CB-CE1 4.37Å; E107-Y132 HydrophobicContact CG-CD1 4.3Å; E107-Y132 HydrophobicContact CG-CE1 4.46Å; E107-L133 PolarHBondContact O-N 2.89Å
108L93.9Very high91Very high6 Ų650.1 Ų50.13%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-133.1109.8-176.8-178.671000108.2R110 Y111 I113 L133 E135 L138 L184 I216 L238L108-R110 PolarHBondContact O-N 2.84Å; L108-Y111 PolarHBondContact N-O 3.26Å; L108-Y111 PolarHBondContact O-N 3.06Å; L108-I113 HydrophobicContact CB-CD1 4.49Å; L108-L133 HydrophobicContact CD1-CB 3.68Å; L108-L133 HydrophobicContact CD1-CD1 4.35Å; L108-E135 HydrophobicContact CD1-CB 4.43Å; L108-L138 HydrophobicContact CD1-CD2 4.09Å; L108-L184 HydrophobicContact CD2-CD2 4.14Å; L108-I216 HydrophobicContact CD2-CG2 4.03Å; L108-L238 HydrophobicContact CD2-CD1 3.67Å
109G90.9Very high92.8Very high32 Ų3247.8 Ų47.833%0.3320%0.204SC..THydrogen-bonded Turntrans57-125.1-172.400000110.7Y111G109-Y111 VanDerWaalsContact C-N 3.3Å; G109-Y111 PolarHBondContact O-N 2.91Å
110R91.2Very high93.6Very high156 Ų15641.9 Ų41.959%0.58918%0.184SC*.THydrogen-bonded Turntrans-83.50.2179.372.6-173.3104.9-1682.2114.7L108L108-R110 PolarHBondContact O-N 2.84Å
111Y95.8Very high94.1Very high67 Ų6740.6 Ų40.626%0.26318%0.176SC..EExtended strand (participates in β ladder)trans-112137-171.1-61.7-67.7000112.3E107 L108 G109 P240 Y241E107-Y111 WeakPolarHBondContact CA-O 3.44Å; L108-Y111 PolarHBondContact N-O 3.26Å; L108-Y111 PolarHBondContact O-N 3.06Å; G109-Y111 VanDerWaalsContact C-N 3.3Å; G109-Y111 PolarHBondContact O-N 2.91Å; Y111-P240 HydrophobicContact CD1-CB 3.75Å; Y111-P240 HydrophobicContact CD1-CG 3.97Å; Y111-P240 HydrophobicContact CD2-CB 3.87Å; Y111-P240 HydrophobicContact CD2-CG 3.97Å; Y111-P240 HydrophobicContact CE1-CB 3.84Å; Y111-P240 HydrophobicContact CE2-CB 3.95Å; Y111-P240 HydrophobicContact CG-CB 3.76Å; Y111-P240 HydrophobicContact CG-CG 3.64Å; Y111-Y241 HydrophobicContact CD2-CE2 4.35Å; Y111-Y241 AromaticContact CE2-CE2 3.95Å; Y111-Y241 HydrophobicContact CE2-CE2 3.95Å; Y111-Y241 AromaticContact CE2-CZ 3.75Å
112R96.2Very high94.3Very high152 Ų15242.4 Ų42.457%0.57419%0.189SC*.EExtended strand (participates in β ladder)trans-104.2122.8164.4-69.8173.6-176169.55108.2E105 V106 E107 R130E105-R112 HydrophobicContact CG-CB 4.21Å; V106-R112 CarbonylContact O-C 3.58Å; V106-R112 WeakPolarHBondContact O-CA 3.34Å; E107-R112 HydrophobicContact CB-CG 4.29Å; E107-R112 HydrophobicContact CG-CG 4.15Å; E107-R112 IonicContact OE2-CZ 2.79Å; E107-R112 IonicContact OE2-NE 3.84Å; E107-R112 PolarHBondContact OE2-NE 2.98Å; E107-R112 IonicContact OE2-NH2 2.86Å; R112-R130 VanDerWaalsContact NH2-NH1 3.18Å
113I97.4Very high94.3Very high9 Ų948.8 Ų48.85%0.04622%0.218CC..EExtended strand (participates in β ladder)trans-126.8125.8-167.7-45.8171.6000108.1V106 L108 P115 F188 P239 P240V106-I113 HydrophobicContact CG2-CB 3.96Å; V106-I113 PolarHBondContact N-O 2.86Å; V106-I113 PolarHBondContact O-N 2.78Å; L108-I113 HydrophobicContact CB-CD1 4.49Å; I113-P115 WeakPolarHBondContact O-CD 3.39Å; I113-F188 HydrophobicContact CB-CZ 4.27Å; I113-F188 HydrophobicContact CG2-CE1 3.69Å; I113-F188 HydrophobicContact CG2-CZ 3.51Å; I113-P239 HydrophobicContact CG2-CB 4.06Å; I113-P239 HydrophobicContact CG2-CG 3.83Å; I113-P240 HydrophobicContact CD1-CG 3.68Å; I113-P240 HydrophobicContact CG1-CG 3.89Å
114R96.1Very high94.2Very high138 Ų13853 Ų5352%0.52124%0.24SC..  trans-80.6123172.5-164.3175-147.9139.2-0.6109.9E104E104-R114 IonicContact OE1-CZ 3.62Å; E104-R114 IonicContact OE1-NE 3.67Å; E104-R114 IonicContact OE1-NH2 3.83Å; E104-R114 PolarHBondContact OE1-NH2 3Å
115P95.8Very high94.3Very high0 Ų052.3 Ų52.30%024%0.237CC..  trans-60.7152.3174.3-26.838.2000112.8R101 I103 E104 V106 I113 L187R101-P115 WeakPolarHBondContact CD-O 2.91Å; R101-P115 HydrophobicContact CG-CB 4.26Å; R101-P115 PolarHBondContact NH1-O 2.67Å; I103-P115 HydrophobicContact CB-CG 4Å; I103-P115 HydrophobicContact CG2-CG 3.89Å; E104-P115 WeakPolarHBondContact O-CD 3.28Å; V106-P115 HydrophobicContact CG1-CG 4.39Å; I113-P115 WeakPolarHBondContact O-CD 3.39Å; P115-L187 HydrophobicContact CB-CB 3.99Å; P115-L187 HydrophobicContact CB-CD2 3.71Å; P115-L187 HydrophobicContact CB-CG 4.35Å; P115-L187 HydrophobicContact CG-CB 4.46Å; P115-L187 HydrophobicContact CG-CD1 4.39Å; P115-L187 HydrophobicContact CG-CD2 3.76Å; P115-L187 HydrophobicContact CG-CG 4.43Å
116W93.7Very high94Very high48 Ų4851.7 Ų51.718%0.18224%0.237CC..SBendtrans-94.2-38.7174-60.9-18.7000111.6R22 L187 F188 P239 Q242 L274R22-W116 HydrophobicContact CB-CG 4.41Å; R22-W116 HydrophobicContact CG-CB 4.14Å; R22-W116 HydrophobicContact CG-CD2 3.88Å; R22-W116 HydrophobicContact CG-CE3 3.91Å; R22-W116 HydrophobicContact CG-CG 4.02Å; R22-W116 VanDerWaalsContact NE-CZ3 3.28Å; W116-L187 PolarHBondContact N-O 2.82Å; W116-F188 AromaticContact CD2-CD1 3.93Å; W116-F188 HydrophobicContact CD2-CD1 3.93Å; W116-F188 HydrophobicContact CE3-CB 4.02Å; W116-F188 HydrophobicContact CE3-CD1 4.22Å; W116-F188 HydrophobicContact CG-CD1 4.09Å; W116-F188 HydrophobicContact CZ3-CB 4.39Å; W116-P239 HydrophobicContact CZ2-CB 4.4Å; W116-P239 HydrophobicContact CZ2-CG 4.15Å; W116-Q242 VanDerWaalsContact CH2-NE2 3.32Å; W116-L274 HydrophobicContact CH2-CD1 4.38Å
117Y93.3Very high93.6Very high13 Ų1358.6 Ų58.65%0.05127%0.273CS..SBendtrans-127.3166.6-171.3-49.7-65.8000111.9R21 R22 L187 F188 D190R21-Y117 HydrophobicContact CB-CE1 3.93Å; R22-Y117 HydrophobicContact CG-CE1 4.33Å; R22-Y117 VanDerWaalsContact CG-OH 3.23Å; R22-Y117 WeakPolarHBondContact CG-OH 3.33Å; R22-Y117 PolarHBondContact NE-OH 3.41Å; Y117-L187 PolarHBondContact N-O 3.35Å; Y117-F188 VanDerWaalsContact CD2-C 3.46Å; Y117-F188 WeakPolarHBondContact CE2-O 3.13Å; Y117-D190 HydrophobicContact CD1-CB 4.1Å; Y117-D190 HydrophobicContact CD2-CB 4.25Å; Y117-D190 HydrophobicContact CE1-CB 3.82Å; Y117-D190 HydrophobicContact CE2-CB 3.98Å; Y117-D190 HydrophobicContact CG-CB 4.29Å
118F93.1Very high93.5Very high41 Ų4159.3 Ų59.318%0.1828%0.277CS..  trans-56.8137.7166.2171-91000111.4R99 V100 N102 P120 K186R99-F118 HydrophobicContact CB-CB 3.52Å; R99-F118 HydrophobicContact CB-CD1 3.99Å; R99-F118 HydrophobicContact CB-CD2 4.24Å; R99-F118 HydrophobicContact CB-CG 3.65Å; R99-F118 HydrophobicContact CG-CD1 4.45Å; R99-F118 WeakPolarHBondContact O-CB 3.33Å; V100-F118 WeakPolarHBondContact O-CD2 3.44Å; N102-F118 HydrophobicContact CB-CD2 3.94Å; N102-F118 HydrophobicContact CB-CE2 4.22Å; N102-F118 VanDerWaalsContact CG-CD2 3.44Å; N102-F118 WeakPolarHBondContact ND2-CE2 3.45Å; N102-F118 WeakPolarHBondContact OD1-CD2 3.4Å; F118-P120 HydrophobicContact CE1-CB 3.87Å; F118-P120 HydrophobicContact CE1-CG 4.31Å; F118-P120 HydrophobicContact CZ-CB 3.97Å; F118-K186 WeakPolarHBondContact O-CG 3.33Å; F118-K186 PolarHBondContact O-NZ 2.88Å
119S94.8Very high93.4Very high0 Ų064 Ų640%031%0.309CS..  trans-134.8135166.7-178.20000111.1N102 Y121 L183N102-S119 PolarHBondContact ND2-O 3.47Å; N102-S119 PolarHBondContact OD1-N 3.05Å; N102-S119 VanDerWaalsContact OD1-N 3.09Å; N102-S119 PolarHBondContact OD1-O 3.06Å; S119-Y121 PolarHBondContact O-N 2.84Å; S119-Y121 WeakPolarHBondContact OG-CD2 3.44Å; S119-Y121 WeakPolarHBondContact OG-CE2 3.21Å; S119-L183 PolarHBondContact OG-O 2.05Å
120P93.4Very high93.6Very high16 Ų1664.6 Ų64.610%0.10430%0.301CS..  trans-79.956-173.633.5-34.4000112.5F118 L183 Y195 Y196F118-P120 HydrophobicContact CE1-CB 3.87Å; F118-P120 HydrophobicContact CE1-CG 4.31Å; F118-P120 HydrophobicContact CZ-CB 3.97Å; P120-L183 HydrophobicContact CG-CD2 3.84Å; P120-L183 VanDerWaalsContact O-CD2 3.3Å; P120-L183 WeakPolarHBondContact O-CD2 3.43Å; P120-Y195 HydrophobicContact CB-CD2 4.44Å; P120-Y195 HydrophobicContact CB-CE2 3.84Å; P120-Y195 HydrophobicContact CG-CD1 4.13Å; P120-Y195 HydrophobicContact CG-CD2 3.42Å; P120-Y195 VanDerWaalsContact CG-CD2 3.42Å; P120-Y195 HydrophobicContact CG-CE1 3.99Å; P120-Y195 HydrophobicContact CG-CE2 3.17Å; P120-Y195 HydrophobicContact CG-CG 3.9Å; P120-Y196 PolarHBondContact O-OH 2.93Å
121Y95Very high93.8Very high9 Ų957.2 Ų57.24%0.03527%0.273CS..  trans-63153.8161.9-78.1-94000109.8I103 S119 V131 L133 Y140 L183 L184 L187I103-Y121 HydrophobicContact CD1-CD2 4.5Å; I103-Y121 HydrophobicContact CG1-CD2 4.13Å; S119-Y121 PolarHBondContact O-N 2.84Å; S119-Y121 WeakPolarHBondContact OG-CD2 3.44Å; S119-Y121 WeakPolarHBondContact OG-CE2 3.21Å; Y121-V131 HydrophobicContact CE1-CG1 4.4Å; Y121-L133 HydrophobicContact CE1-CD2 4.31Å; Y121-Y140 HydrophobicContact CD1-CD1 4.16Å; Y121-Y140 HydrophobicContact CD1-CD2 4.29Å; Y121-Y140 HydrophobicContact CD1-CG 4.01Å; Y121-Y140 AromaticContact CE1-CD1 3.82Å; Y121-Y140 HydrophobicContact CE1-CD1 3.82Å; Y121-Y140 AromaticContact CE1-CG 3.85Å; Y121-Y140 HydrophobicContact CE1-CG 3.85Å; Y121-L183 HydrophobicContact CD1-CD1 4.35Å; Y121-L183 HydrophobicContact CD2-CB 4.34Å; Y121-L183 HydrophobicContact CE1-CB 4.12Å; Y121-L183 HydrophobicContact CE1-CD1 4.33Å; Y121-L183 HydrophobicContact CE2-CB 3.79Å; Y121-L184 PolarHBondContact OH-N 3.29Å; Y121-L187 HydrophobicContact CD2-CD2 4.46Å; Y121-L187 HydrophobicContact CE2-CD1 3.92Å; Y121-L187 HydrophobicContact CE2-CD2 4.09Å; Y121-L187 HydrophobicContact CE2-CG 4.06Å
122P94.5Very high93.7Very high52 Ų5256.3 Ų56.334%0.33827%0.269SS..  trans-54.5143.8176.1-22.632.4000111.7D124 F125 Y140P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 PolarHBondContact O-N 3.35Å; P122-D124 VanDerWaalsContact O-N 3.17Å; P122-F125 HydrophobicContact CB-CD2 4.06Å; P122-F125 HydrophobicContact CG-CD2 4.26Å; P122-F125 WeakPolarHBondContact O-CB 3.29Å; P122-F125 PolarHBondContact O-N 3.44Å; P122-Y140 HydrophobicContact CG-CE2 3.9Å
123E90.9Very high93.7Very high164 Ų16449.3 Ų49.377%0.76624%0.244SC*.Hα-helixtrans-54.5-41.1-169-66.8-177172.900113.3F125 T126E123-F125 PolarHBondContact O-N 3.27Å; E123-F125 VanDerWaalsContact O-N 3.08Å; E123-T126 WeakPolarHBondContact O-CB 3.38Å; E123-T126 PolarHBondContact O-N 2.87Å; E123-T126 PolarHBondContact O-OG1 3.46Å
124D92.3Very high93.4Very high92 Ų9249 Ų4949%0.49224%0.242SC..Hα-helixtrans-54.9-29.8176.9-68.8-4.3000113.7P122 R142P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 PolarHBondContact O-N 3.35Å; P122-D124 VanDerWaalsContact O-N 3.17Å; D124-R142 IonicContact OD2-NH2 2.81Å; D124-R142 PolarHBondContact OD2-NH2 3.22Å
125F93.8Very high93.3Very high21 Ų2143.4 Ų43.49%0.09222%0.222CC..Hα-helixtrans-78.8-21.5178.1-74.6-96.5000112.7P122 E123 L127 L128 V131 Y140 R142P122-F125 HydrophobicContact CB-CD2 4.06Å; P122-F125 HydrophobicContact CG-CD2 4.26Å; P122-F125 WeakPolarHBondContact O-CB 3.29Å; P122-F125 PolarHBondContact O-N 3.44Å; E123-F125 PolarHBondContact O-N 3.27Å; E123-F125 VanDerWaalsContact O-N 3.08Å; F125-L127 PolarHBondContact O-N 3.22Å; F125-L128 HydrophobicContact CD1-CD1 3.95Å; F125-L128 HydrophobicContact CE1-CD1 4.49Å; F125-L128 HydrophobicContact CG-CD1 4.46Å; F125-L128 PolarHBondContact O-N 3.49Å; F125-V131 HydrophobicContact CB-CG2 4.01Å; F125-V131 HydrophobicContact CD1-CG1 3.88Å; F125-V131 HydrophobicContact CD1-CG2 4.08Å; F125-V131 HydrophobicContact CE1-CG1 4.43Å; F125-Y140 HydrophobicContact CD1-CD2 4.15Å; F125-Y140 HydrophobicContact CD2-CD2 4.23Å; F125-Y140 HydrophobicContact CD2-CE2 4.27Å; F125-Y140 AromaticContact CE1-CD2 3.68Å; F125-Y140 HydrophobicContact CE1-CD2 3.68Å; F125-Y140 HydrophobicContact CE1-CE2 4.5Å; F125-Y140 AromaticContact CE2-CD2 3.79Å; F125-Y140 HydrophobicContact CE2-CD2 3.79Å; F125-Y140 AromaticContact CE2-CE2 3.79Å; F125-Y140 HydrophobicContact CE2-CE2 3.79Å; F125-Y140 HydrophobicContact CG-CD2 4.4Å; F125-Y140 AromaticContact CZ-CD2 3.5Å; F125-Y140 HydrophobicContact CZ-CD2 3.5Å; F125-Y140 VanDerWaalsContact CZ-CD2 3.5Å; F125-Y140 AromaticContact CZ-CE2 3.92Å; F125-Y140 HydrophobicContact CZ-CE2 3.92Å; F125-R142 HydrophobicContact CE1-CG 3.96Å; F125-R142 HydrophobicContact CZ-CG 3.96Å
126T89.5Confident93.2Very high39 Ų3944.2 Ų44.224%0.23923%0.225CC..Hα-helixtrans-73.5-2017774.60000112.8N102 I103 E123N102-T126 HydrophobicContact CB-CG2 4.15Å; N102-T126 WeakPolarHBondContact ND2-CG2 3.11Å; I103-T126 HydrophobicContact CD1-CG2 3.97Å; E123-T126 WeakPolarHBondContact O-CB 3.38Å; E123-T126 PolarHBondContact O-N 2.87Å; E123-T126 PolarHBondContact O-OG1 3.46Å
127L89.6Confident93.1Very high144 Ų14443.2 Ų43.275%0.75423%0.225SC*.THydrogen-bonded Turntrans-82.8-15.4176.1-56.6179000112.5F125F125-L127 PolarHBondContact O-N 3.22Å
128L92.3Very high93.2Very high46 Ų4642.7 Ų42.724%0.24122%0.223CC..SBendtrans-79.1145-178.5-59.5177.2000110.6F125 R130 R142F125-L128 HydrophobicContact CD1-CD1 3.95Å; F125-L128 HydrophobicContact CE1-CD1 4.49Å; F125-L128 HydrophobicContact CG-CD1 4.46Å; F125-L128 PolarHBondContact O-N 3.49Å; L128-R130 WeakPolarHBondContact CB-O 3.24Å; L128-R130 PolarHBondContact O-N 3.06Å; L128-R142 HydrophobicContact CD1-CB 4.08Å; L128-R142 HydrophobicContact CD1-CG 4.04Å
129P92.5Very high93.3Very high106 Ų10646.5 Ų46.569%0.68824%0.24SC*.SBendtrans-63.5-23.4171.827.5-34.8000111.8
130R94.5Very high93.2Very high43 Ų4349.4 Ų49.416%0.16225%0.251CS..  trans-154.3141.3-177.3-179-177.5-72.2152.319.8111.5E105 E107 R112 L128 Y132E105-R130 VanDerWaalsContact O-CA 3.32Å; E105-R130 WeakPolarHBondContact O-CA 3.43Å; E105-R130 IonicContact OE1-CZ 3.36Å; E105-R130 IonicContact OE1-NE 3.44Å; E105-R130 PolarHBondContact OE1-NE 3.21Å; E105-R130 IonicContact OE1-NH2 3.14Å; E105-R130 PolarHBondContact OE1-NH2 3.49Å; E107-R130 HydrophobicContact CB-CG 4.13Å; E107-R130 WeakPolarHBondContact OE2-CD 3.31Å; E107-R130 IonicContact OE2-CZ 2.77Å; E107-R130 IonicContact OE2-NE 2.79Å; E107-R130 PolarHBondContact OE2-NE 2.97Å; E107-R130 IonicContact OE2-NH1 2.7Å; E107-R130 PolarHBondContact OE2-NH1 3.48Å; R112-R130 VanDerWaalsContact NH2-NH1 3.18Å; L128-R130 WeakPolarHBondContact CB-O 3.24Å; L128-R130 PolarHBondContact O-N 3.06Å; R130-Y132 HydrophobicContact CB-CE2 4.41Å; R130-Y132 HydrophobicContact CG-CE2 4.22Å
131V95.7Very high93.2Very high1 Ų150.2 Ų50.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-103.4128.7167.7-179.30000109.4I103 E105 V106 E107 Y121 F125 L133I103-V131 HydrophobicContact CD1-CG2 4.12Å; I103-V131 HydrophobicContact CG2-CG2 4.13Å; E105-V131 PolarHBondContact O-N 3.31Å; V106-V131 CarbonylContact C-O 3.54Å; V106-V131 VanDerWaalsContact CA-O 3.3Å; V106-V131 WeakPolarHBondContact CA-O 3.26Å; V106-V131 HydrophobicContact CG1-CB 4.3Å; E107-V131 PolarHBondContact N-O 2.94Å; Y121-V131 HydrophobicContact CE1-CG1 4.4Å; F125-V131 HydrophobicContact CB-CG2 4.01Å; F125-V131 HydrophobicContact CD1-CG1 3.88Å; F125-V131 HydrophobicContact CD1-CG2 4.08Å; F125-V131 HydrophobicContact CE1-CG1 4.43Å; V131-L133 HydrophobicContact CG1-CD2 4.1Å
132Y94.3Very high93Very high48 Ų4857 Ų5719%0.18828%0.28CS..EExtended strand (participates in β ladder)trans-93.7130.2178.6-65.1-95.6000109.8E107 R130 Y140 L141 D144E107-Y132 HydrophobicContact CB-CD1 4.08Å; E107-Y132 HydrophobicContact CB-CE1 4.37Å; E107-Y132 HydrophobicContact CG-CD1 4.3Å; E107-Y132 HydrophobicContact CG-CE1 4.46Å; R130-Y132 HydrophobicContact CB-CE2 4.41Å; R130-Y132 HydrophobicContact CG-CE2 4.22Å; Y132-Y140 CarbonylContact O-C 3.57Å; Y132-Y140 VanDerWaalsContact O-CA 3.26Å; Y132-Y140 WeakPolarHBondContact O-CA 3.3Å; Y132-L141 PolarHBondContact N-O 2.94Å; Y132-L141 VanDerWaalsContact N-O 3.12Å; Y132-L141 PolarHBondContact O-N 2.93Å; Y132-D144 HydrophobicContact CD1-CB 3.99Å; Y132-D144 HydrophobicContact CE1-CB 3.77Å
133L94.7Very high92.6Very high6 Ų657.3 Ų57.33%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-117.2133.3180-59.5-179.1000110.5V106 E107 L108 Y121 V131 E135 K139 Y140 L184V106-L133 HydrophobicContact CB-CD1 4.3Å; E107-L133 PolarHBondContact O-N 2.89Å; L108-L133 HydrophobicContact CD1-CB 3.68Å; L108-L133 HydrophobicContact CD1-CD1 4.35Å; Y121-L133 HydrophobicContact CE1-CD2 4.31Å; V131-L133 HydrophobicContact CG1-CD2 4.1Å; L133-E135 PolarHBondContact O-N 2.8Å; L133-K139 WeakPolarHBondContact CA-O 3.48Å; L133-Y140 VanDerWaalsContact CD2-CB 3.47Å; L133-L184 HydrophobicContact CD1-CD1 3.73Å; L133-L184 HydrophobicContact CD1-CD2 4.42Å; L133-L184 HydrophobicContact CD1-CG 4.45Å
134C92.8Very high91.9Very high1 Ų154.4 Ų54.41%0.00727%0.273CS..  trans-62.5124.3165.7-174.70000109.9F136 C137 L138 K139 L147C134-F136 PolarHBondContact O-N 2.82Å; C134-F136 PolarHBondContact SG-N 3.36Å; C134-C137 WeakPolarHBondContact CB-SG 3.35Å; C134-C137 PolarHBondContact SG-N 3.37Å; C134-C137 PolarHBondContact SG-SG 3.24Å; C134-L138 WeakPolarHBondContact O-CA 3.41Å; C134-L138 PolarHBondContact O-N 3.4Å; C134-K139 HydrophobicContact CB-CB 4.47Å; C134-K139 PolarHBondContact N-O 2.64Å; C134-L147 HydrophobicContact CB-CB 4.46Å; C134-L147 HydrophobicContact CB-CD1 3.74Å; C134-L147 HydrophobicContact CB-CD2 3.38Å; C134-L147 HydrophobicContact CB-CG 4.01Å
135E92.3Very high90.7Very high21 Ų2153.6 Ų53.610%0.09827%0.272CS..THydrogen-bonded Turntrans-61.8-29.1178.3-167.4169.1-148.900113.1L108 L133 H215 I216L108-E135 HydrophobicContact CD1-CB 4.43Å; L133-E135 PolarHBondContact O-N 2.8Å; E135-H215 HydrophobicContact CG-CB 4.47Å; E135-H215 WeakPolarHBondContact OE1-CB 3.46Å; E135-H215 IonicContact OE1-CG 3.94Å; E135-H215 IonicContact OE1-ND1 3.79Å; E135-H215 PolarHBondContact OE1-ND1 3.49Å; E135-H215 IonicContact OE2-CE1 3.32Å; E135-H215 IonicContact OE2-CG 3Å; E135-H215 IonicContact OE2-ND1 2.73Å; E135-H215 PolarHBondContact OE2-ND1 2.9Å; E135-I216 HydrophobicContact CG-CG2 4.4Å
136F93.7Very high89Confident18 Ų1856.9 Ų56.98%0.07929%0.294CS..THydrogen-bonded Turntrans-96.6-45.7-174.4-50.9-70000113.1C134 H150 L151 P153 Y177 C214C134-F136 PolarHBondContact O-N 2.82Å; C134-F136 PolarHBondContact SG-N 3.36Å; F136-H150 HydrophobicContact CB-CB 3.52Å; F136-H150 HydrophobicContact CD2-CB 3.84Å; F136-H150 WeakPolarHBondContact CD2-O 3.43Å; F136-H150 WeakPolarHBondContact CE2-O 3.37Å; F136-H150 HydrophobicContact CG-CB 3.94Å; F136-L151 VanDerWaalsContact CD1-C 3.47Å; F136-P153 WeakPolarHBondContact O-CA 3.01Å; F136-Y177 WeakPolarHBondContact O-CE2 3.5Å; F136-C214 WeakPolarHBondContact CD1-O 3.28Å
137C92.6Very high87.7Confident27 Ų2757.1 Ų57.118%0.18229%0.293CS..THydrogen-bonded Turntrans-105.8-0.9-177.578.70000114.5C134 K139 Y177C134-C137 WeakPolarHBondContact CB-SG 3.35Å; C134-C137 PolarHBondContact SG-N 3.37Å; C134-C137 PolarHBondContact SG-SG 3.24Å; C137-K139 PolarHBondContact O-N 3.42Å; C137-K139 VanDerWaalsContact SG-CB 3.58Å; C137-Y177 VanDerWaalsContact O-CD2 3.29Å; C137-Y177 WeakPolarHBondContact O-CD2 3.01Å
138L95.5Very high86.3Confident1 Ų159.9 Ų59.91%0.00529%0.294CS..  trans58.110.3178.7-54.4178.6000115.5L108 C134 Y140 Y177 N180 L181 L184 I216L108-L138 HydrophobicContact CD1-CD2 4.09Å; C134-L138 WeakPolarHBondContact O-CA 3.41Å; C134-L138 PolarHBondContact O-N 3.4Å; L138-Y140 PolarHBondContact O-N 2.82Å; L138-Y177 HydrophobicContact CB-CD2 4.48Å; L138-Y177 HydrophobicContact CB-CE2 4.19Å; L138-Y177 HydrophobicContact CD1-CD2 4.44Å; L138-Y177 HydrophobicContact CD1-CE1 4.1Å; L138-Y177 HydrophobicContact CD1-CE2 3.71Å; L138-Y177 HydrophobicContact CG-CD2 4.37Å; L138-Y177 HydrophobicContact CG-CE2 3.62Å; L138-N180 HydrophobicContact CB-CB 3.84Å; L138-N180 WeakPolarHBondContact O-CB 3.43Å; L138-L181 HydrophobicContact CD1-CB 3.72Å; L138-L181 HydrophobicContact CD1-CD1 3.58Å; L138-L181 HydrophobicContact CD1-CG 4.24Å; L138-L184 HydrophobicContact CD1-CD2 4.48Å; L138-L184 HydrophobicContact CD2-CD2 3.88Å; L138-I216 HydrophobicContact CD1-CD1 4.3Å; L138-I216 HydrophobicContact CD2-CD1 4.39Å; L138-I216 HydrophobicContact CD2-CG2 4.36Å
139K94.1Very high85.3Confident122 Ų12265 Ų6553%0.5332%0.322SS..  trans-59.9129.9174-174.8176.5-178.11790110L133 C134 C137L133-K139 WeakPolarHBondContact CA-O 3.48Å; C134-K139 HydrophobicContact CB-CB 4.47Å; C134-K139 PolarHBondContact N-O 2.64Å; C137-K139 PolarHBondContact O-N 3.42Å; C137-K139 VanDerWaalsContact SG-CB 3.58Å
140Y94Very high84.9Confident61 Ų6164 Ų6424%0.23931%0.307CS..EExtended strand (participates in β ladder)trans-91.5140.1177.453.7-91.4000112.3Y121 P122 F125 Y132 L133 L138 N180 L183Y121-Y140 HydrophobicContact CD1-CD1 4.16Å; Y121-Y140 HydrophobicContact CD1-CD2 4.29Å; Y121-Y140 HydrophobicContact CD1-CG 4.01Å; Y121-Y140 AromaticContact CE1-CD1 3.82Å; Y121-Y140 HydrophobicContact CE1-CD1 3.82Å; Y121-Y140 AromaticContact CE1-CG 3.85Å; Y121-Y140 HydrophobicContact CE1-CG 3.85Å; P122-Y140 HydrophobicContact CG-CE2 3.9Å; F125-Y140 HydrophobicContact CD1-CD2 4.15Å; F125-Y140 HydrophobicContact CD2-CD2 4.23Å; F125-Y140 HydrophobicContact CD2-CE2 4.27Å; F125-Y140 AromaticContact CE1-CD2 3.68Å; F125-Y140 HydrophobicContact CE1-CD2 3.68Å; F125-Y140 HydrophobicContact CE1-CE2 4.5Å; F125-Y140 AromaticContact CE2-CD2 3.79Å; F125-Y140 HydrophobicContact CE2-CD2 3.79Å; F125-Y140 AromaticContact CE2-CE2 3.79Å; F125-Y140 HydrophobicContact CE2-CE2 3.79Å; F125-Y140 HydrophobicContact CG-CD2 4.4Å; F125-Y140 AromaticContact CZ-CD2 3.5Å; F125-Y140 HydrophobicContact CZ-CD2 3.5Å; F125-Y140 VanDerWaalsContact CZ-CD2 3.5Å; F125-Y140 AromaticContact CZ-CE2 3.92Å; F125-Y140 HydrophobicContact CZ-CE2 3.92Å; Y132-Y140 CarbonylContact O-C 3.57Å; Y132-Y140 VanDerWaalsContact O-CA 3.26Å; Y132-Y140 WeakPolarHBondContact O-CA 3.3Å; L133-Y140 VanDerWaalsContact CD2-CB 3.47Å; L138-Y140 PolarHBondContact O-N 2.82Å; Y140-N180 VanDerWaalsContact CE1-OD1 3.23Å; Y140-N180 WeakPolarHBondContact CE1-OD1 3.37Å; Y140-L183 HydrophobicContact CD1-CD1 4.45Å; Y140-L183 HydrophobicContact CE1-CD1 3.87Å
141L92.7Very high84.6Confident32 Ų3266.5 Ų66.517%0.16832%0.324CS..EExtended strand (participates in β ladder)trans-140.3156.5-170.5-66.4157.9000111.1Y132 L147Y132-L141 PolarHBondContact N-O 2.94Å; Y132-L141 VanDerWaalsContact N-O 3.12Å; Y132-L141 PolarHBondContact O-N 2.93Å; L141-L147 HydrophobicContact CD1-CD1 3.39Å; L141-L147 HydrophobicContact CD1-CD2 3.71Å; L141-L147 HydrophobicContact CD1-CG 3.61Å
142R90.6Very high84.4Confident151 Ų15173.3 Ų73.357%0.5735%0.35SS*.SBendtrans-81.6-16.8-178.5-60.6-172.5173.4179.7-4.4113.5D124 F125 L128D124-R142 IonicContact OD2-NH2 2.81Å; D124-R142 PolarHBondContact OD2-NH2 3.22Å; F125-R142 HydrophobicContact CE1-CG 3.96Å; F125-R142 HydrophobicContact CZ-CG 3.96Å; L128-R142 HydrophobicContact CD1-CB 4.08Å; L128-R142 HydrophobicContact CD1-CG 4.04Å
143S86.1Confident84.5Confident59 Ų5971 Ų7141%0.41334%0.341SS..SBendtrans-149167.3-176.559.20000110.8T145S143-T145 PolarHBondContact O-N 3.3Å
144D75.7Confident84.3Confident104 Ų10472.8 Ų72.856%0.55635%0.353SS*.  trans-72.159.5170-173.334.8000111.2Y132 T146Y132-D144 HydrophobicContact CD1-CB 3.99Å; Y132-D144 HydrophobicContact CE1-CB 3.77Å; D144-T146 PolarHBondContact O-N 2.94Å
145T68.2Low84.4Confident75 Ų7574.4 Ų74.446%0.4637%0.37SS..  trans-70.5117.7164.144.30000106.8S143 L147S143-T145 PolarHBondContact O-N 3.3Å; T145-L147 PolarHBondContact O-N 3.19Å
146T58.4Low84.6Confident89 Ų8980.5 Ų80.555%0.54639%0.392SS..  trans-42.6101-175.1-63.50000112.8D144 R148D144-T146 PolarHBondContact O-N 2.94Å; T146-R148 HydrophobicContact CG2-CB 3.68Å; T146-R148 HydrophobicContact CG2-CG 3.27Å; T146-R148 PolarHBondContact O-N 2.89Å
147L61.6Low84.8Confident45 Ų4583.3 Ų83.324%0.23641%0.405CS..  trans-80.633.5-177.8-88.9156.9000113C134 L141 T145 N149C134-L147 HydrophobicContact CB-CB 4.46Å; C134-L147 HydrophobicContact CB-CD1 3.74Å; C134-L147 HydrophobicContact CB-CD2 3.38Å; C134-L147 HydrophobicContact CB-CG 4.01Å; L141-L147 HydrophobicContact CD1-CD1 3.39Å; L141-L147 HydrophobicContact CD1-CD2 3.71Å; L141-L147 HydrophobicContact CD1-CG 3.61Å; T145-L147 PolarHBondContact O-N 3.19Å; L147-N149 PolarHBondContact O-N 3.08Å
148R60Low85.1Confident201 Ų20182.1 Ų82.176%0.75840%0.397SS*.THydrogen-bonded Turntrans-83.70.5-162.4-75.7178.1-150.1-121.11.6116.3T146T146-R148 HydrophobicContact CG2-CB 3.68Å; T146-R148 HydrophobicContact CG2-CG 3.27Å; T146-R148 PolarHBondContact O-N 2.89Å
149N70.9Confident85.2Confident155 Ų15582.2 Ų82.283%0.82940%0.397SS*.THydrogen-bonded Turntrans-89.5-7.3-173.8-65.1-6.6000114.1L147L147-N149 PolarHBondContact O-N 3.08Å
150H85Confident85.4Confident84 Ų8481.3 Ų81.339%0.38939%0.391SS..  trans-106.8148.7178.6-53.9122.6000110.4F136F136-H150 HydrophobicContact CB-CB 3.52Å; F136-H150 HydrophobicContact CD2-CB 3.84Å; F136-H150 WeakPolarHBondContact CD2-O 3.43Å; F136-H150 WeakPolarHBondContact CE2-O 3.37Å; F136-H150 HydrophobicContact CG-CB 3.94Å
151L88.3Confident85.5Confident96 Ų9681.8 Ų81.850%0.50339%0.394SS..  trans-127.5-9.1178-63.8174.7000113F136 Y212 G213 C214F136-L151 VanDerWaalsContact CD1-C 3.47Å; L151-Y212 VanDerWaalsContact CD2-O 3.27Å; L151-Y212 WeakPolarHBondContact CD2-O 3.42Å; L151-G213 CarbonylContact O-C 3.55Å; L151-G213 WeakPolarHBondContact O-CA 3.39Å; L151-C214 PolarHBondContact O-N 2.77Å
152Y92Very high85.6Confident144 Ų14487.7 Ų87.757%0.56542%0.421SS*.SBendtrans-153.5154-176.450.9-86.3000111.3
153P94.8Very high85.8Confident0 Ų087.5 Ų87.50%042%0.424CS..  trans-54.8147.4167-24.334.8000111.5F136 F167 I205 T207F136-P153 WeakPolarHBondContact O-CA 3.01Å; P153-F167 HydrophobicContact CB-CB 4.29Å; P153-F167 HydrophobicContact CB-CD2 4.46Å; P153-F167 HydrophobicContact CB-CG 4.23Å; P153-F167 HydrophobicContact CG-CD2 3.98Å; P153-F167 HydrophobicContact CG-CE2 4.4Å; P153-F167 HydrophobicContact CG-CG 4.25Å; P153-I205 HydrophobicContact CG-CG2 4.08Å; P153-T207 HydrophobicContact CG-CG2 3.7Å
154P91.1Very high86.4Confident42 Ų4285.4 Ų85.427%0.27341%0.408SS..SBendtrans-62.2165.6171.332-34.2000109.4I169 Q174 Y177P154-I169 HydrophobicContact CG-CD1 4.48Å; P154-I169 WeakPolarHBondContact O-CD1 3.23Å; P154-Q174 HydrophobicContact CB-CG 4.1Å; P154-Q174 HydrophobicContact CG-CG 4.39Å; P154-Y177 HydrophobicContact CG-CD1 3.92Å; P154-Y177 HydrophobicContact CG-CD2 3.38Å; P154-Y177 HydrophobicContact CG-CE1 4.43Å; P154-Y177 HydrophobicContact CG-CE2 3.97Å; P154-Y177 HydrophobicContact CG-CG 3.34Å
155G94.4Very high87.4Confident36 Ų3680.4 Ų80.437%0.37138%0.381SS..SBendtrans100.1-166.2177.800000113.9E168G155-E168 WeakPolarHBondContact CA-O 3.05Å
156R96.9Very high88.9Confident149 Ų14976.9 Ų76.956%0.56236%0.36SS*.EExtended strand (participates in β ladder)trans-105.8127.2-171.4179.1178.8172.5-176.8-2.3110.1I158 F167 E168 Q366R156-I158 HydrophobicContact CG-CG2 4.13Å; R156-I158 PolarHBondContact O-N 3.03Å; R156-F167 CarbonylContact O-C 3.52Å; R156-F167 VanDerWaalsContact O-CA 3.32Å; R156-F167 WeakPolarHBondContact O-CA 3.27Å; R156-E168 PolarHBondContact N-O 3.24Å; R156-E168 PolarHBondContact O-N 2.77Å; R156-Q366 PolarHBondContact NH2-O 3.19Å
157E98.1Very high90.8Very high76 Ų7673.1 Ų73.136%0.35534%0.336SS..EExtended strand (participates in β ladder)trans-68122166.8-169.2173.9-145.500109.4R160 S165 F167E157-R160 WeakPolarHBondContact OE1-CD 3.22Å; E157-S165 WeakPolarHBondContact OE1-CB 3.46Å; E157-S165 PolarHBondContact OE1-OG 3.25Å; E157-F167 HydrophobicContact CB-CD1 3.97Å; E157-F167 HydrophobicContact CB-CE1 3.73Å; E157-F167 HydrophobicContact CB-CZ 4.25Å; E157-F167 HydrophobicContact CG-CE1 4.23Å; E157-F167 HydrophobicContact CG-CZ 4.26Å
158I98.5Very high92.6Very high2 Ų272.4 Ų72.41%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-115.7-4.4-177.962.7156.9000112.5R156 V166 E168 Y204 F253 I365 Q366 W367R156-I158 HydrophobicContact CG-CG2 4.13Å; R156-I158 PolarHBondContact O-N 3.03Å; I158-V166 HydrophobicContact CG1-CB 4.39Å; I158-V166 HydrophobicContact CG1-CG1 4.36Å; I158-V166 WeakPolarHBondContact CG1-O 3.3Å; I158-V166 PolarHBondContact N-O 2.89Å; I158-E168 HydrophobicContact CD1-CB 4.26Å; I158-E168 HydrophobicContact CG1-CB 4.38Å; I158-E168 HydrophobicContact CG2-CB 3.8Å; I158-Y204 HydrophobicContact CD1-CD1 3.63Å; I158-Y204 HydrophobicContact CD1-CE1 3.71Å; I158-F253 HydrophobicContact CD1-CE1 3.83Å; I158-F253 HydrophobicContact CD1-CZ 3.81Å; I158-F253 HydrophobicContact CG1-CZ 4.25Å; I158-I365 CarbonylContact O-C 3.58Å; I158-I365 WeakPolarHBondContact O-CA 3.34Å; I158-Q366 PolarHBondContact O-N 3.19Å; I158-W367 HydrophobicContact CB-CB 4.26Å; I158-W367 HydrophobicContact CD1-CB 4.35Å; I158-W367 HydrophobicContact CD1-CG 4.26Å
159Y98.7Very high94.4Very high3 Ų362.8 Ų62.81%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-154.9135.5176.1177.2-90.4000109.6K161 L164 S165 V166 F253 I360 D361 C364 I365Y159-K161 HydrophobicContact CE1-CB 3.87Å; Y159-K161 WeakPolarHBondContact OH-CB 3.23Å; Y159-L164 HydrophobicContact CD1-CG 4.43Å; Y159-L164 HydrophobicContact CE1-CB 4.36Å; Y159-L164 HydrophobicContact CE1-CD2 3.87Å; Y159-L164 HydrophobicContact CE1-CG 4Å; Y159-S165 CarbonylContact O-C 3.56Å; Y159-S165 VanDerWaalsContact O-CA 3.25Å; Y159-S165 WeakPolarHBondContact O-CA 3.27Å; Y159-V166 HydrophobicContact CD1-CG2 4Å; Y159-V166 HydrophobicContact CG-CG2 4.33Å; Y159-V166 PolarHBondContact N-O 2.79Å; Y159-V166 PolarHBondContact O-N 3.01Å; Y159-F253 HydrophobicContact CD1-CE2 4.46Å; Y159-F253 AromaticContact CD2-CE2 3.81Å; Y159-F253 HydrophobicContact CD2-CE2 3.81Å; Y159-F253 AromaticContact CG-CE2 3.73Å; Y159-F253 HydrophobicContact CG-CE2 3.73Å; Y159-F253 HydrophobicContact CG-CZ 4.48Å; Y159-I360 HydrophobicContact CE2-CG2 3.95Å; Y159-D361 WeakPolarHBondContact CE2-O 3.41Å; Y159-D361 PolarHBondContact OH-N 3.23Å; Y159-C364 HydrophobicContact CD2-CB 3.88Å; Y159-C364 HydrophobicContact CE2-CB 3.65Å; Y159-I365 HydrophobicContact CD2-CG1 3.72Å; Y159-I365 HydrophobicContact CE2-CG1 4.31Å
160R97.4Very high95.7Very high104 Ų10456.1 Ų56.139%0.39226%0.259SS..EExtended strand (participates in β ladder)trans-142.2123.3171.5-179.970.8178.7152.1-0.9109.1E157 E162 K163 L164 S165 C209E157-R160 WeakPolarHBondContact OE1-CD 3.22Å; R160-E162 PolarHBondContact NH1-O 2.82Å; R160-E162 PolarHBondContact NH2-O 3.22Å; R160-K163 VanDerWaalsContact NH1-C 3.35Å; R160-K163 PolarHBondContact NH1-O 3.35Å; R160-K163 VanDerWaalsContact NH1-O 3.14Å; R160-L164 WeakPolarHBondContact CA-O 3.48Å; R160-S165 WeakPolarHBondContact CD-OG 3.38Å; R160-S165 PolarHBondContact NH1-OG 3.02Å; R160-C209 PolarHBondContact NH1-SG 3.42Å; R160-C209 VanDerWaalsContact NH1-SG 3.42Å
161K96.5Very high96.3Very high71 Ų7152.1 Ų52.131%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-147.7120.8167.5-174.7168.7-178.8169.30109.7Y159 K163 L164 D361Y159-K161 HydrophobicContact CE1-CB 3.87Å; Y159-K161 WeakPolarHBondContact OH-CB 3.23Å; K161-K163 PolarHBondContact O-N 3.01Å; K161-K163 VanDerWaalsContact O-N 3.16Å; K161-L164 PolarHBondContact N-O 2.72Å; K161-L164 PolarHBondContact O-N 2.78Å; K161-D361 HydrophobicContact CD-CB 3.66Å; K161-D361 IonicContact NZ-OD2 2.77Å; K161-D361 PolarHBondContact NZ-OD2 2.62Å
162E94.3Very high96.6Very high156 Ų15654.2 Ų54.273%0.72924%0.242SC*.THydrogen-bonded Turntrans52.9-115.5-176.1-59.2170.7-163.700111.7R160R160-E162 PolarHBondContact NH1-O 2.82Å; R160-E162 PolarHBondContact NH2-O 3.22Å
163K95.2Very high96.8Very high147 Ų14755.1 Ų55.164%0.63925%0.249SC*.THydrogen-bonded Turntrans-87.7-16.8177.3-65.2-175.4179.6-178.10113.1R160 K161 E208 C209R160-K163 VanDerWaalsContact NH1-C 3.35Å; R160-K163 PolarHBondContact NH1-O 3.35Å; R160-K163 VanDerWaalsContact NH1-O 3.14Å; K161-K163 PolarHBondContact O-N 3.01Å; K161-K163 VanDerWaalsContact O-N 3.16Å; K163-E208 CarbonylContact O-C 3.48Å; K163-E208 WeakPolarHBondContact O-CA 3.27Å; K163-C209 PolarHBondContact O-N 2.72Å
164L97.7Very high96.9Very high14 Ų1457.6 Ų57.67%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-86.2127.4-175.1-176.862.6000111Y159 R160 K161 F206 Y246 L249 I360Y159-L164 HydrophobicContact CD1-CG 4.43Å; Y159-L164 HydrophobicContact CE1-CB 4.36Å; Y159-L164 HydrophobicContact CE1-CD2 3.87Å; Y159-L164 HydrophobicContact CE1-CG 4Å; R160-L164 WeakPolarHBondContact CA-O 3.48Å; K161-L164 PolarHBondContact N-O 2.72Å; K161-L164 PolarHBondContact O-N 2.78Å; L164-F206 HydrophobicContact CD1-CD1 4.09Å; L164-Y246 HydrophobicContact CD1-CE1 4.28Å; L164-L249 HydrophobicContact CD2-CD1 4.16Å; L164-I360 HydrophobicContact CD2-CD1 4.06Å
165S98.4Very high97.2Very high0 Ų059.7 Ų59.70%027%0.265CS..EExtended strand (participates in β ladder)trans-126.2150.8168.4-68.60000111.4E157 Y159 R160 T207 C209E157-S165 WeakPolarHBondContact OE1-CB 3.46Å; E157-S165 PolarHBondContact OE1-OG 3.25Å; Y159-S165 CarbonylContact O-C 3.56Å; Y159-S165 VanDerWaalsContact O-CA 3.25Å; Y159-S165 WeakPolarHBondContact O-CA 3.27Å; R160-S165 WeakPolarHBondContact CD-OG 3.38Å; R160-S165 PolarHBondContact NH1-OG 3.02Å; S165-T207 WeakPolarHBondContact CB-OG1 2.68Å; S165-T207 PolarHBondContact N-O 2.89Å; S165-T207 PolarHBondContact O-N 2.78Å; S165-T207 PolarHBondContact O-OG1 3.1Å; S165-C209 VanDerWaalsContact CB-SG 3.58Å; S165-C209 PolarHBondContact OG-SG 2.78Å
166V98.8Very high97.2Very high0 Ų064 Ų640%028%0.278CS..EExtended strand (participates in β ladder)trans-126.9125.5172.3-171.20000110I158 Y159 I205 F206 F253I158-V166 HydrophobicContact CG1-CB 4.39Å; I158-V166 HydrophobicContact CG1-CG1 4.36Å; I158-V166 WeakPolarHBondContact CG1-O 3.3Å; I158-V166 PolarHBondContact N-O 2.89Å; Y159-V166 HydrophobicContact CD1-CG2 4Å; Y159-V166 HydrophobicContact CG-CG2 4.33Å; Y159-V166 PolarHBondContact N-O 2.79Å; Y159-V166 PolarHBondContact O-N 3.01Å; V166-I205 CarbonylContact C-O 3.56Å; V166-I205 VanDerWaalsContact CA-O 3.27Å; V166-I205 WeakPolarHBondContact CA-O 3.37Å; V166-F206 HydrophobicContact CG1-CD2 4.02Å; V166-F206 HydrophobicContact CG1-CE2 3.76Å; V166-F206 HydrophobicContact CG1-CZ 4.26Å; V166-F206 HydrophobicContact CG2-CD1 3.9Å; V166-F206 HydrophobicContact CG2-CD2 4.15Å; V166-F206 HydrophobicContact CG2-CE1 3.72Å; V166-F206 HydrophobicContact CG2-CE2 3.96Å; V166-F206 HydrophobicContact CG2-CG 4.09Å; V166-F206 HydrophobicContact CG2-CZ 3.73Å; V166-F253 HydrophobicContact CB-CE2 4.37Å; V166-F253 HydrophobicContact CB-CZ 4.07Å; V166-F253 HydrophobicContact CG1-CE1 4.02Å; V166-F253 HydrophobicContact CG1-CZ 4.08Å; V166-F253 HydrophobicContact CG2-CD2 4.34Å; V166-F253 HydrophobicContact CG2-CE2 4Å; V166-F253 HydrophobicContact CG2-CZ 4.17Å
167F98.7Very high97.3Very high10 Ų1057.5 Ų57.54%0.04425%0.254CS..EExtended strand (participates in β ladder)trans-106.9127.6178.3-64.7-98.6000110.7P153 R156 E157 I169 Y204 I205 T207 C214P153-F167 HydrophobicContact CB-CB 4.29Å; P153-F167 HydrophobicContact CB-CD2 4.46Å; P153-F167 HydrophobicContact CB-CG 4.23Å; P153-F167 HydrophobicContact CG-CD2 3.98Å; P153-F167 HydrophobicContact CG-CE2 4.4Å; P153-F167 HydrophobicContact CG-CG 4.25Å; R156-F167 CarbonylContact O-C 3.52Å; R156-F167 VanDerWaalsContact O-CA 3.32Å; R156-F167 WeakPolarHBondContact O-CA 3.27Å; E157-F167 HydrophobicContact CB-CD1 3.97Å; E157-F167 HydrophobicContact CB-CE1 3.73Å; E157-F167 HydrophobicContact CB-CZ 4.25Å; E157-F167 HydrophobicContact CG-CE1 4.23Å; E157-F167 HydrophobicContact CG-CZ 4.26Å; F167-I169 HydrophobicContact CB-CD1 4.46Å; F167-Y204 CarbonylContact O-C 3.53Å; F167-Y204 WeakPolarHBondContact O-CA 3.27Å; F167-I205 HydrophobicContact CB-CB 4.36Å; F167-I205 PolarHBondContact N-O 2.73Å; F167-I205 PolarHBondContact O-N 3.37Å; F167-T207 HydrophobicContact CD2-CG2 4.06Å; F167-T207 HydrophobicContact CE2-CG2 4.17Å; F167-T207 WeakPolarHBondContact CE2-OG1 3.1Å; F167-C214 HydrophobicContact CE2-CB 4.01Å; F167-C214 HydrophobicContact CZ-CB 4.3Å
168E98.6Very high97.3Very high30 Ų3053.9 Ų53.914%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-85.9126169.7-176.2-176.670.300110.4G155 R156 I158 F203 Y204 W367G155-E168 WeakPolarHBondContact CA-O 3.05Å; R156-E168 PolarHBondContact N-O 3.24Å; R156-E168 PolarHBondContact O-N 2.77Å; I158-E168 HydrophobicContact CD1-CB 4.26Å; I158-E168 HydrophobicContact CG1-CB 4.38Å; I158-E168 HydrophobicContact CG2-CB 3.8Å; E168-F203 WeakPolarHBondContact CA-O 3.08Å; E168-Y204 HydrophobicContact CB-CD1 4.29Å; E168-Y204 HydrophobicContact CB-CE1 4.22Å; E168-Y204 HydrophobicContact CG-CD1 4.38Å; E168-Y204 HydrophobicContact CG-CE1 3.95Å; E168-Y204 PolarHBondContact OE2-OH 3.49Å; E168-W367 PolarHBondContact OE2-NE1 2.84Å
169I98.3Very high97.2Very high0 Ų055.9 Ų55.90%025%0.246CC..EExtended strand (participates in β ladder)trans-113.3130.3175.4-39.1-63.7000108.6P154 F167 Q174 Y177 L202 F203 I205P154-I169 HydrophobicContact CG-CD1 4.48Å; P154-I169 WeakPolarHBondContact O-CD1 3.23Å; F167-I169 HydrophobicContact CB-CD1 4.46Å; I169-Q174 HydrophobicContact CG2-CB 3.57Å; I169-Q174 HydrophobicContact CG2-CG 4.12Å; I169-Y177 HydrophobicContact CD1-CD1 4.25Å; I169-Y177 HydrophobicContact CD1-CE1 4.03Å; I169-Y177 HydrophobicContact CG1-CD1 4.17Å; I169-Y177 HydrophobicContact CG1-CE1 3.95Å; I169-Y177 HydrophobicContact CG2-CD1 4.02Å; I169-L202 CarbonylContact O-C 3.59Å; I169-L202 WeakPolarHBondContact O-CA 3.43Å; I169-F203 HydrophobicContact CB-CB 4.04Å; I169-F203 HydrophobicContact CG1-CB 4.18Å; I169-F203 PolarHBondContact N-O 2.87Å; I169-F203 PolarHBondContact O-N 2.88Å; I169-I205 HydrophobicContact CD1-CG1 3.88Å; I169-I205 HydrophobicContact CG1-CD1 3.93Å; I169-I205 HydrophobicContact CG1-CG1 3.49Å; I169-I205 VanDerWaalsContact CG1-CG1 3.49Å
170D97.5Very high97.2Very high14 Ų1456.3 Ų56.38%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-92.3115.7169.2179.1-23.2000108.9R172 K173 Q174 L202 K224D170-R172 PolarHBondContact O-N 3.27Å; D170-R172 WeakPolarHBondContact OD1-CB 3.39Å; D170-R172 PolarHBondContact OD1-N 3.16Å; D170-K173 HydrophobicContact CB-CB 4.05Å; D170-K173 HydrophobicContact CB-CD 4.04Å; D170-K173 HydrophobicContact CB-CG 4.08Å; D170-K173 PolarHBondContact O-N 3.01Å; D170-K173 PolarHBondContact OD1-N 2.87Å; D170-K173 WeakPolarHBondContact OD2-CE 3.35Å; D170-Q174 PolarHBondContact O-N 2.91Å; D170-Q174 PolarHBondContact O-OE1 3.01Å; D170-L202 HydrophobicContact CB-CD2 4.18Å; D170-K224 WeakPolarHBondContact OD1-CE 3.46Å; D170-K224 IonicContact OD1-NZ 3.55Å; D170-K224 PolarHBondContact OD1-NZ 2.82Å; D170-K224 IonicContact OD2-NZ 3.93Å
171G97.1Very high97.2Very high0 Ų051.4 Ų51.40%023%0.23CC..THydrogen-bonded Turntrans-63-14.8-177.700000115.6S178 T198 F201G171-S178 WeakPolarHBondContact CA-OG 2.95Å; G171-T198 WeakPolarHBondContact CA-O 3.3Å; G171-T198 PolarHBondContact O-OG1 3.06Å; G171-F201 PolarHBondContact N-O 3.47Å
172R95.1Very high97.3Very high140 Ų14048.1 Ų48.153%0.52822%0.216SC..THydrogen-bonded Turntrans-83.1-42.4170.2-175.3180175.7-175.1-0.5111.2D170 E199 R376D170-R172 PolarHBondContact O-N 3.27Å; D170-R172 WeakPolarHBondContact OD1-CB 3.39Å; D170-R172 PolarHBondContact OD1-N 3.16Å; R172-E199 HydrophobicContact CB-CB 4.17Å; R172-E199 HydrophobicContact CB-CG 4.35Å; R172-R376 PolarHBondContact NH1-O 3.23Å
173K96.8Very high97.4Very high164 Ų16440.9 Ų40.971%0.71318%0.183SC*.THydrogen-bonded Turntrans-79.1-40.5-176.8-63.5177.9-174.4173.90112.5D170D170-K173 HydrophobicContact CB-CB 4.05Å; D170-K173 HydrophobicContact CB-CD 4.04Å; D170-K173 HydrophobicContact CB-CG 4.08Å; D170-K173 PolarHBondContact O-N 3.01Å; D170-K173 PolarHBondContact OD1-N 2.87Å; D170-K173 WeakPolarHBondContact OD2-CE 3.35Å
174Q97.2Very high97.6Very high51 Ų5134 Ų3424%0.23815%0.153CC..THydrogen-bonded Turntrans-110.247.4-179.4-64.985.25.600112P154 I169 D170 I176 Y177 S178P154-Q174 HydrophobicContact CB-CG 4.1Å; P154-Q174 HydrophobicContact CG-CG 4.39Å; I169-Q174 HydrophobicContact CG2-CB 3.57Å; I169-Q174 HydrophobicContact CG2-CG 4.12Å; D170-Q174 PolarHBondContact O-N 2.91Å; D170-Q174 PolarHBondContact O-OE1 3.01Å; Q174-I176 PolarHBondContact O-N 2.9Å; Q174-Y177 PolarHBondContact O-N 3.37Å; Q174-S178 PolarHBondContact O-N 2.91Å; Q174-S178 PolarHBondContact O-OG 3.13Å
175K96.7Very high97.6Very high87 Ų8733.4 Ų33.438%0.37815%0.15SC..Hα-helixtrans-47.4-49.8-173.2-172167.5-173.41600114.2Y177 S178 Q179 E199K175-Y177 PolarHBondContact O-N 3.08Å; K175-S178 PolarHBondContact O-N 3.24Å; K175-Q179 HydrophobicContact CG-CG 4.46Å; K175-Q179 WeakPolarHBondContact O-CB 3.43Å; K175-Q179 VanDerWaalsContact O-CG 3.27Å; K175-Q179 WeakPolarHBondContact O-CG 3.22Å; K175-Q179 PolarHBondContact O-N 3.41Å; K175-E199 IonicContact NZ-OE1 3.35Å; K175-E199 PolarHBondContact NZ-OE1 2.83Å
176I95.8Very high97.4Very high126 Ų12634.3 Ų34.365%0.64615%0.154SC*.Hα-helixtrans-61.6-45-178.5-61.9173.2000111.5Q174 Q179 N180Q174-I176 PolarHBondContact O-N 2.9Å; I176-Q179 PolarHBondContact O-N 3.25Å; I176-N180 WeakPolarHBondContact O-CB 3.42Å; I176-N180 PolarHBondContact O-N 2.67Å; I176-N180 PolarHBondContact O-ND2 3.47Å
177Y97.4Very high97.3Very high12 Ų1234.3 Ų34.35%0.04715%0.154CC..Hα-helixtrans-62.7-46.5178.8-178.3-91.3000111.1F136 C137 L138 P154 I169 Q174 K175 Q179 N180 L181 I205F136-Y177 WeakPolarHBondContact O-CE2 3.5Å; C137-Y177 VanDerWaalsContact O-CD2 3.29Å; C137-Y177 WeakPolarHBondContact O-CD2 3.01Å; L138-Y177 HydrophobicContact CB-CD2 4.48Å; L138-Y177 HydrophobicContact CB-CE2 4.19Å; L138-Y177 HydrophobicContact CD1-CD2 4.44Å; L138-Y177 HydrophobicContact CD1-CE1 4.1Å; L138-Y177 HydrophobicContact CD1-CE2 3.71Å; L138-Y177 HydrophobicContact CG-CD2 4.37Å; L138-Y177 HydrophobicContact CG-CE2 3.62Å; P154-Y177 HydrophobicContact CG-CD1 3.92Å; P154-Y177 HydrophobicContact CG-CD2 3.38Å; P154-Y177 HydrophobicContact CG-CE1 4.43Å; P154-Y177 HydrophobicContact CG-CE2 3.97Å; P154-Y177 HydrophobicContact CG-CG 3.34Å; I169-Y177 HydrophobicContact CD1-CD1 4.25Å; I169-Y177 HydrophobicContact CD1-CE1 4.03Å; I169-Y177 HydrophobicContact CG1-CD1 4.17Å; I169-Y177 HydrophobicContact CG1-CE1 3.95Å; I169-Y177 HydrophobicContact CG2-CD1 4.02Å; Q174-Y177 PolarHBondContact O-N 3.37Å; K175-Y177 PolarHBondContact O-N 3.08Å; Y177-Q179 VanDerWaalsContact C-N 3.33Å; Y177-Q179 PolarHBondContact O-N 3.17Å; Y177-N180 PolarHBondContact O-N 3.12Å; Y177-L181 HydrophobicContact CE1-CD2 4.41Å; Y177-L181 WeakPolarHBondContact O-CB 3.39Å; Y177-L181 PolarHBondContact O-N 2.67Å; Y177-I205 HydrophobicContact CE1-CD1 4.06Å; Y177-I205 HydrophobicContact CE1-CG1 4.04Å
178S98.3Very high97.2Very high0 Ų034 Ų340%015%0.152CC..Hα-helixtrans-63.8-36.9179.4-63.70000112.8G171 Q174 K175 L181 C182 F203G171-S178 WeakPolarHBondContact CA-OG 2.95Å; Q174-S178 PolarHBondContact O-N 2.91Å; Q174-S178 PolarHBondContact O-OG 3.13Å; K175-S178 PolarHBondContact O-N 3.24Å; S178-L181 PolarHBondContact O-N 3.18Å; S178-C182 PolarHBondContact O-N 2.73Å; S178-C182 PolarHBondContact O-SG 2.57Å; S178-F203 WeakPolarHBondContact OG-CD2 3.33Å; S178-F203 WeakPolarHBondContact OG-CE2 3.23Å
179Q97.8Very high96.9Very high45 Ų4533.9 Ų33.921%0.2115%0.153CC..Hα-helixtrans-66.5-46174.7-72.7179.3-21.600111K175 I176 Y177 L181 C182 L183 Y196 T198K175-Q179 HydrophobicContact CG-CG 4.46Å; K175-Q179 WeakPolarHBondContact O-CB 3.43Å; K175-Q179 VanDerWaalsContact O-CG 3.27Å; K175-Q179 WeakPolarHBondContact O-CG 3.22Å; K175-Q179 PolarHBondContact O-N 3.41Å; I176-Q179 PolarHBondContact O-N 3.25Å; Y177-Q179 VanDerWaalsContact C-N 3.33Å; Y177-Q179 PolarHBondContact O-N 3.17Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 3.06Å; Q179-C182 PolarHBondContact O-N 3.24Å; Q179-C182 VanDerWaalsContact O-N 3.14Å; Q179-L183 WeakPolarHBondContact O-CG 3.22Å; Q179-L183 PolarHBondContact O-N 3.38Å; Q179-Y196 PolarHBondContact NE2-O 3.15Å; Q179-T198 HydrophobicContact CG-CG2 3.9Å
180N97.5Very high96.3Very high12 Ų1235.6 Ų35.66%0.06416%0.161CC..Hα-helixtrans-60.8-41175.5-69-14.2000112L138 Y140 I176 Y177 C182 L183 L184L138-N180 HydrophobicContact CB-CB 3.84Å; L138-N180 WeakPolarHBondContact O-CB 3.43Å; Y140-N180 VanDerWaalsContact CE1-OD1 3.23Å; Y140-N180 WeakPolarHBondContact CE1-OD1 3.37Å; I176-N180 WeakPolarHBondContact O-CB 3.42Å; I176-N180 PolarHBondContact O-N 2.67Å; I176-N180 PolarHBondContact O-ND2 3.47Å; Y177-N180 PolarHBondContact O-N 3.12Å; N180-C182 VanDerWaalsContact C-N 3.34Å; N180-C182 PolarHBondContact O-N 2.78Å; N180-L183 PolarHBondContact O-N 3.38Å; N180-L184 PolarHBondContact O-N 2.73Å
181L98.5Very high95.7Very high1 Ų141.6 Ų41.61%0.00519%0.189CC..Hα-helixtrans-61-43.3174.2-179.765.4000111.5L138 Y177 S178 Q179 L184 A185 F203 I205 I216 Y219L138-L181 HydrophobicContact CD1-CB 3.72Å; L138-L181 HydrophobicContact CD1-CD1 3.58Å; L138-L181 HydrophobicContact CD1-CG 4.24Å; Y177-L181 HydrophobicContact CE1-CD2 4.41Å; Y177-L181 WeakPolarHBondContact O-CB 3.39Å; Y177-L181 PolarHBondContact O-N 2.67Å; S178-L181 PolarHBondContact O-N 3.18Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 3.06Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.49Å; L181-A185 PolarHBondContact O-N 2.77Å; L181-F203 HydrophobicContact CD2-CB 3.95Å; L181-F203 HydrophobicContact CD2-CD1 3.61Å; L181-F203 HydrophobicContact CD2-CE1 4.38Å; L181-F203 HydrophobicContact CD2-CG 3.95Å; L181-I205 HydrophobicContact CD1-CD1 4.41Å; L181-I205 HydrophobicContact CD2-CD1 3.4Å; L181-I205 VanDerWaalsContact CD2-CD1 3.4Å; L181-I216 HydrophobicContact CD1-CD1 4.08Å; L181-Y219 HydrophobicContact CD1-CD1 3.7Å; L181-Y219 HydrophobicContact CD1-CE1 4.01Å; L181-Y219 HydrophobicContact CD1-CG 4.01Å; L181-Y219 HydrophobicContact CD2-CD1 4.38Å; L181-Y219 HydrophobicContact CD2-CD2 3.76Å; L181-Y219 HydrophobicContact CD2-CE2 4.06Å; L181-Y219 HydrophobicContact CD2-CG 3.94Å; L181-Y219 HydrophobicContact CG-CD1 4.19Å; L181-Y219 HydrophobicContact CG-CD2 4.32Å; L181-Y219 HydrophobicContact CG-CE1 4.18Å; L181-Y219 HydrophobicContact CG-CE2 4.32Å; L181-Y219 HydrophobicContact CG-CG 4.26Å
182C98Very high95.2Very high2 Ų242.5 Ų42.51%0.01419%0.193CC..Hα-helixtrans-64.9-38.9177.1-70.50000112.8S178 Q179 N180 A185 K186 K192 Y195S178-C182 PolarHBondContact O-N 2.73Å; S178-C182 PolarHBondContact O-SG 2.57Å; Q179-C182 PolarHBondContact O-N 3.24Å; Q179-C182 VanDerWaalsContact O-N 3.14Å; N180-C182 VanDerWaalsContact C-N 3.34Å; N180-C182 PolarHBondContact O-N 2.78Å; C182-A185 PolarHBondContact O-N 3.29Å; C182-K186 VanDerWaalsContact O-CB 3.31Å; C182-K186 WeakPolarHBondContact O-CB 3.31Å; C182-K186 PolarHBondContact O-N 3.33Å; C182-K192 VanDerWaalsContact SG-CE 3.53Å; C182-Y195 VanDerWaalsContact CB-CA 3.5Å
183L97.1Very high94.5Very high4 Ų440.6 Ų40.62%0.02120%0.201CC..Hα-helixtrans-62.7-46.6173.7-68.8174.7000111.4S119 P120 Y121 Y140 Q179 N180 A185 K186 Y195S119-L183 PolarHBondContact OG-O 2.05Å; P120-L183 HydrophobicContact CG-CD2 3.84Å; P120-L183 VanDerWaalsContact O-CD2 3.3Å; P120-L183 WeakPolarHBondContact O-CD2 3.43Å; Y121-L183 HydrophobicContact CD1-CD1 4.35Å; Y121-L183 HydrophobicContact CD2-CB 4.34Å; Y121-L183 HydrophobicContact CE1-CB 4.12Å; Y121-L183 HydrophobicContact CE1-CD1 4.33Å; Y121-L183 HydrophobicContact CE2-CB 3.79Å; Y140-L183 HydrophobicContact CD1-CD1 4.45Å; Y140-L183 HydrophobicContact CE1-CD1 3.87Å; Q179-L183 WeakPolarHBondContact O-CG 3.22Å; Q179-L183 PolarHBondContact O-N 3.38Å; N180-L183 PolarHBondContact O-N 3.38Å; L183-A185 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 3.48Å; L183-K186 PolarHBondContact O-N 2.95Å; L183-Y195 HydrophobicContact CD2-CD2 4.37Å
184L98.1Very high93.9Very high3 Ų336.1 Ų36.12%0.01618%0.184CC..Hα-helixtrans-58.7-46.7173.2172.457.7000111.1L108 Y121 L133 L138 N180 L181 K186 L187 F188 L238L108-L184 HydrophobicContact CD2-CD2 4.14Å; Y121-L184 PolarHBondContact OH-N 3.29Å; L133-L184 HydrophobicContact CD1-CD1 3.73Å; L133-L184 HydrophobicContact CD1-CD2 4.42Å; L133-L184 HydrophobicContact CD1-CG 4.45Å; L138-L184 HydrophobicContact CD1-CD2 4.48Å; L138-L184 HydrophobicContact CD2-CD2 3.88Å; N180-L184 PolarHBondContact O-N 2.73Å; L181-L184 PolarHBondContact O-N 3.5Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.47Å; L184-L187 HydrophobicContact CD1-CD1 4.11Å; L184-L187 VanDerWaalsContact O-CB 3.28Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 3.36Å; L184-F188 HydrophobicContact CD1-CE2 3.86Å; L184-F188 WeakPolarHBondContact O-CD2 3.3Å; L184-L238 HydrophobicContact CD1-CD2 4.39Å; L184-L238 HydrophobicContact CD2-CD2 4.25Å; L184-L238 HydrophobicContact CG-CD2 4.31Å
185A97.6Very high93.2Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-63.2-39.4-178.500000112.7L181 C182 L183 L187 F188 L189 K192 Y219 L236L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.49Å; L181-A185 PolarHBondContact O-N 2.77Å; C182-A185 PolarHBondContact O-N 3.29Å; L183-A185 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 3.48Å; A185-L187 PolarHBondContact O-N 2.91Å; A185-F188 CarbonylContact O-C 3.59Å; A185-F188 PolarHBondContact O-N 3.18Å; A185-L189 HydrophobicContact CB-CD1 4.16Å; A185-L189 WeakPolarHBondContact O-CB 3.22Å; A185-L189 PolarHBondContact O-N 2.87Å; A185-K192 HydrophobicContact CB-CD 4.19Å; A185-Y219 HydrophobicContact CB-CE1 3.54Å; A185-Y219 WeakPolarHBondContact CB-OH 3.42Å; A185-L236 HydrophobicContact CB-CD2 4.05Å
186K95.4Very high92.8Very high20 Ų2037.7 Ų37.79%0.08719%0.187CC..Hα-helixtrans-64-21-179.4-175.266.4-161.775.80113.2F118 C182 L183 L184 F188 L189 D190 K192F118-K186 WeakPolarHBondContact O-CG 3.33Å; F118-K186 PolarHBondContact O-NZ 2.88Å; C182-K186 VanDerWaalsContact O-CB 3.31Å; C182-K186 WeakPolarHBondContact O-CB 3.31Å; C182-K186 PolarHBondContact O-N 3.33Å; L183-K186 PolarHBondContact O-N 2.95Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.47Å; K186-F188 PolarHBondContact O-N 2.83Å; K186-L189 PolarHBondContact NZ-O 2.9Å; K186-D190 WeakPolarHBondContact CE-O 3.17Å; K186-D190 PolarHBondContact NZ-O 3.34Å; K186-D190 VanDerWaalsContact NZ-O 3.08Å; K186-K192 HydrophobicContact CD-CB 3.8Å; K186-K192 HydrophobicContact CD-CG 4.5Å; K186-K192 VanDerWaalsContact CD-O 3.3Å; K186-K192 WeakPolarHBondContact CD-O 3.34Å; K186-K192 WeakPolarHBondContact CE-O 3.49Å
187L96.2Very high92.7Very high0 Ų035.6 Ų35.60%018%0.177CC..THydrogen-bonded Turntrans-63.6-23.2170.5-63.2168.9000112.6I103 V106 P115 W116 Y117 Y121 L184 A185I103-L187 HydrophobicContact CB-CD2 4.04Å; I103-L187 HydrophobicContact CG1-CD2 4.02Å; V106-L187 HydrophobicContact CG1-CD1 3.63Å; V106-L187 HydrophobicContact CG2-CD1 4.32Å; P115-L187 HydrophobicContact CB-CB 3.99Å; P115-L187 HydrophobicContact CB-CD2 3.71Å; P115-L187 HydrophobicContact CB-CG 4.35Å; P115-L187 HydrophobicContact CG-CB 4.46Å; P115-L187 HydrophobicContact CG-CD1 4.39Å; P115-L187 HydrophobicContact CG-CD2 3.76Å; P115-L187 HydrophobicContact CG-CG 4.43Å; W116-L187 PolarHBondContact N-O 2.82Å; Y117-L187 PolarHBondContact N-O 3.35Å; Y121-L187 HydrophobicContact CD2-CD2 4.46Å; Y121-L187 HydrophobicContact CE2-CD1 3.92Å; Y121-L187 HydrophobicContact CE2-CD2 4.09Å; Y121-L187 HydrophobicContact CE2-CG 4.06Å; L184-L187 HydrophobicContact CD1-CD1 4.11Å; L184-L187 VanDerWaalsContact O-CB 3.28Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 3.36Å; A185-L187 PolarHBondContact O-N 2.91Å
188F96Very high92.6Very high3 Ų335.1 Ų35.11%0.01318%0.175CC..THydrogen-bonded Turntrans-128.5-3.4-172.4-51.1-66.9000113.9V106 I113 W116 Y117 L184 A185 K186 L236 L238 P239V106-F188 HydrophobicContact CG2-CZ 4.49Å; I113-F188 HydrophobicContact CB-CZ 4.27Å; I113-F188 HydrophobicContact CG2-CE1 3.69Å; I113-F188 HydrophobicContact CG2-CZ 3.51Å; W116-F188 AromaticContact CD2-CD1 3.93Å; W116-F188 HydrophobicContact CD2-CD1 3.93Å; W116-F188 HydrophobicContact CE3-CB 4.02Å; W116-F188 HydrophobicContact CE3-CD1 4.22Å; W116-F188 HydrophobicContact CG-CD1 4.09Å; W116-F188 HydrophobicContact CZ3-CB 4.39Å; Y117-F188 VanDerWaalsContact CD2-C 3.46Å; Y117-F188 WeakPolarHBondContact CE2-O 3.13Å; L184-F188 HydrophobicContact CD1-CE2 3.86Å; L184-F188 WeakPolarHBondContact O-CD2 3.3Å; A185-F188 CarbonylContact O-C 3.59Å; A185-F188 PolarHBondContact O-N 3.18Å; K186-F188 PolarHBondContact O-N 2.83Å; F188-L236 HydrophobicContact CB-CD1 3.69Å; F188-L236 HydrophobicContact CB-CD2 4.12Å; F188-L236 HydrophobicContact CD2-CD2 4.12Å; F188-L238 HydrophobicContact CD2-CD2 4.43Å; F188-L238 HydrophobicContact CE2-CD2 4.36Å; F188-P239 HydrophobicContact CD1-CG 3.63Å; F188-P239 HydrophobicContact CE1-CG 3.58Å; F188-P239 HydrophobicContact CG-CG 4.16Å; F188-P239 HydrophobicContact CZ-CG 4.05Å
189L92.5Very high92.4Very high28 Ų2838.6 Ų38.615%0.14719%0.192CC..  trans-115.3121.2171.8-62.6178.8000109.9A185 K186 K192 C234 L236A185-L189 HydrophobicContact CB-CD1 4.16Å; A185-L189 WeakPolarHBondContact O-CB 3.22Å; A185-L189 PolarHBondContact O-N 2.87Å; K186-L189 PolarHBondContact NZ-O 2.9Å; L189-K192 HydrophobicContact CB-CB 4.16Å; L189-K192 HydrophobicContact CD1-CD 4.17Å; L189-C234 HydrophobicContact CD1-CB 4.15Å; L189-L236 HydrophobicContact CD1-CB 4.45Å; L189-L236 HydrophobicContact CD2-CB 4.5Å; L189-L236 HydrophobicContact CD2-CD1 4.27Å
190D86.5Confident92.3Very high35 Ų3539 Ų3919%0.18720%0.198CC..SBendtrans-70.1-56.8-178.4-1616000110.4R21 Y117 K186 K192R21-D190 WeakPolarHBondContact CD-OD2 3.45Å; R21-D190 IonicContact CZ-OD1 2.77Å; R21-D190 IonicContact CZ-OD2 3.51Å; R21-D190 IonicContact NE-OD2 3.83Å; R21-D190 IonicContact NH1-OD1 3.24Å; R21-D190 PolarHBondContact NH1-OD1 2.79Å; R21-D190 IonicContact NH1-OD2 2.65Å; R21-D190 PolarHBondContact NH1-OD2 3.4Å; R21-D190 IonicContact NH2-OD1 3.89Å; Y117-D190 HydrophobicContact CD1-CB 4.1Å; Y117-D190 HydrophobicContact CD2-CB 4.25Å; Y117-D190 HydrophobicContact CE1-CB 3.82Å; Y117-D190 HydrophobicContact CE2-CB 3.98Å; Y117-D190 HydrophobicContact CG-CB 4.29Å; K186-D190 WeakPolarHBondContact CE-O 3.17Å; K186-D190 PolarHBondContact NZ-O 3.34Å; K186-D190 VanDerWaalsContact NZ-O 3.08Å; D190-K192 PolarHBondContact O-N 3.35Å
191H84.9Confident92.2Very high141 Ų14139.6 Ų39.665%0.65320%0.2SC*.SBendtrans-93.361.3-177.1-57.7-71.3000112.5
192K86.7Confident92.2Very high19 Ų1939.7 Ų39.78%0.08320%0.201CC..  trans-112.4111.7167-179.8166.8-17948.50109.8C182 A185 K186 L189 D190 L194C182-K192 VanDerWaalsContact SG-CE 3.53Å; A185-K192 HydrophobicContact CB-CD 4.19Å; K186-K192 HydrophobicContact CD-CB 3.8Å; K186-K192 HydrophobicContact CD-CG 4.5Å; K186-K192 VanDerWaalsContact CD-O 3.3Å; K186-K192 WeakPolarHBondContact CD-O 3.34Å; K186-K192 WeakPolarHBondContact CE-O 3.49Å; L189-K192 HydrophobicContact CB-CB 4.16Å; L189-K192 HydrophobicContact CD1-CD 4.17Å; D190-K192 PolarHBondContact O-N 3.35Å; K192-L194 VanDerWaalsContact CE-O 3.24Å; K192-L194 WeakPolarHBondContact CE-O 3.06Å; K192-L194 PolarHBondContact NZ-O 2.81Å
193S80Confident92.3Very high99 Ų9939.7 Ų39.769%0.69220%0.2SC*.  trans-87.1-41-176.451.70000112.7Y195S193-Y195 VanDerWaalsContact O-CD1 3.3Å; S193-Y195 WeakPolarHBondContact O-CD1 3.32Å; S193-Y195 VanDerWaalsContact O-CE1 3.23Å; S193-Y195 WeakPolarHBondContact O-CE1 3.09Å
194L84.3Confident92.3Very high71 Ų7139.5 Ų39.537%0.37220%0.199SC..  trans-97.8123.4-176.1-60.1178.6000112.1K192 F201K192-L194 VanDerWaalsContact CE-O 3.24Å; K192-L194 WeakPolarHBondContact CE-O 3.06Å; K192-L194 PolarHBondContact NZ-O 2.81Å; L194-F201 HydrophobicContact CD1-CE2 3.76Å; L194-F201 HydrophobicContact CD1-CZ 3.87Å
195Y82.8Confident92.4Very high52 Ų5239.3 Ų39.320%0.20420%0.199CC..SBendtrans-136.5-19.9176.345.6-85.9000115.1P120 C182 L183 S193P120-Y195 HydrophobicContact CB-CD2 4.44Å; P120-Y195 HydrophobicContact CB-CE2 3.84Å; P120-Y195 HydrophobicContact CG-CD1 4.13Å; P120-Y195 HydrophobicContact CG-CD2 3.42Å; P120-Y195 VanDerWaalsContact CG-CD2 3.42Å; P120-Y195 HydrophobicContact CG-CE1 3.99Å; P120-Y195 HydrophobicContact CG-CE2 3.17Å; P120-Y195 HydrophobicContact CG-CG 3.9Å; C182-Y195 VanDerWaalsContact CB-CA 3.5Å; L183-Y195 HydrophobicContact CD2-CD2 4.37Å; S193-Y195 VanDerWaalsContact O-CD1 3.3Å; S193-Y195 WeakPolarHBondContact O-CD1 3.32Å; S193-Y195 VanDerWaalsContact O-CE1 3.23Å; S193-Y195 WeakPolarHBondContact O-CE1 3.09Å
196Y88.1Confident92.4Very high118 Ų11839.3 Ų39.346%0.46320%0.199SC..SBendtrans-103-34.1173.2-61.9-51.9000113.7P120 Q179 T198P120-Y196 PolarHBondContact O-OH 2.93Å; Q179-Y196 PolarHBondContact NE2-O 3.15Å; Y196-T198 PolarHBondContact O-N 2.89Å
197D93.5Very high92.6Very high83 Ų8338.4 Ų38.444%0.44419%0.194SC..  trans-85.390.5173.9-172.914.9000110.1P200D197-P200 WeakPolarHBondContact OD1-CD 3.49Å
198T94.5Very high92.6Very high1 Ų140.8 Ų40.81%0.00621%0.206CC..  trans-102.6-12.4-177.757.10000113G171 Q179 Y196 P200 F201 F203G171-T198 WeakPolarHBondContact CA-O 3.3Å; G171-T198 PolarHBondContact O-OG1 3.06Å; Q179-T198 HydrophobicContact CG-CG2 3.9Å; Y196-T198 PolarHBondContact O-N 2.89Å; T198-P200 VanDerWaalsContact C-N 3.34Å; T198-F201 PolarHBondContact O-N 3.45Å; T198-F203 HydrophobicContact CG2-CZ 4.19Å
199E95.2Very high92.7Very high74 Ų7441.1 Ų41.135%0.34621%0.208SC..THydrogen-bonded Turntrans-59.2-34.4-171.7-55.2-171.1-172.100114.2R172 K175 F201 K224R172-E199 HydrophobicContact CB-CB 4.17Å; R172-E199 HydrophobicContact CB-CG 4.35Å; K175-E199 IonicContact NZ-OE1 3.35Å; K175-E199 PolarHBondContact NZ-OE1 2.83Å; E199-F201 PolarHBondContact O-N 3.07Å; E199-K224 WeakPolarHBondContact O-CE 3.2Å; E199-K224 PolarHBondContact O-NZ 2.8Å
200P94.8Very high92.8Very high53 Ų5343.2 Ų43.234%0.34422%0.219SC..THydrogen-bonded Turntrans-70.4-9.8176.8-21.834.5000115D197 T198 K224D197-P200 WeakPolarHBondContact OD1-CD 3.49Å; T198-P200 VanDerWaalsContact C-N 3.34Å; P200-K224 WeakPolarHBondContact O-CB 2.91Å; P200-K224 VanDerWaalsContact O-CG 3.3Å; P200-K224 WeakPolarHBondContact O-CG 3.12Å; P200-K224 PolarHBondContact O-N 2.77Å
201F96.8Very high93Very high25 Ų2546.9 Ų46.911%0.1125%0.247CC..EExtended strand (participates in β ladder)trans-112.1146.4-167.9-60.6-87.1000113.2G171 L194 T198 E199 F203 K222 E223 A233G171-F201 PolarHBondContact N-O 3.47Å; L194-F201 HydrophobicContact CD1-CE2 3.76Å; L194-F201 HydrophobicContact CD1-CZ 3.87Å; T198-F201 PolarHBondContact O-N 3.45Å; E199-F201 PolarHBondContact O-N 3.07Å; F201-F203 HydrophobicContact CB-CD2 4.42Å; F201-F203 HydrophobicContact CB-CE1 4.46Å; F201-F203 HydrophobicContact CB-CE2 3.72Å; F201-F203 HydrophobicContact CB-CZ 3.74Å; F201-F203 HydrophobicContact CG-CZ 4.46Å; F201-K222 WeakPolarHBondContact CA-O 3.36Å; F201-E223 HydrophobicContact CD1-CG 3.9Å; F201-E223 HydrophobicContact CE1-CG 3.43Å; F201-E223 VanDerWaalsContact CE1-CG 3.43Å; F201-E223 HydrophobicContact CZ-CG 4.19Å; F201-A233 HydrophobicContact CD1-CB 4.37Å; F201-A233 HydrophobicContact CE1-CB 3.99Å
202L98Very high93.3Very high3 Ų348.2 Ų48.22%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-96146.1155-63.2174.8000108.8I169 D170 Y204 S221 K222 K224 W372I169-L202 CarbonylContact O-C 3.59Å; I169-L202 WeakPolarHBondContact O-CA 3.43Å; D170-L202 HydrophobicContact CB-CD2 4.18Å; L202-Y204 HydrophobicContact CB-CE2 4.04Å; L202-S221 CarbonylContact O-C 3.41Å; L202-S221 VanDerWaalsContact O-CA 3.22Å; L202-S221 WeakPolarHBondContact O-CA 3.38Å; L202-K222 PolarHBondContact N-O 2.88Å; L202-K222 PolarHBondContact O-N 3.01Å; L202-K224 HydrophobicContact CD2-CG 4.4Å; L202-K224 HydrophobicContact CG-CG 3.97Å; L202-W372 HydrophobicContact CD1-CZ2 3.87Å; L202-W372 HydrophobicContact CD2-CH2 4.05Å; L202-W372 HydrophobicContact CD2-CZ2 3.79Å; L202-W372 HydrophobicContact CG-CZ2 4.11Å
203F98.7Very high93.6Very high1 Ų147.7 Ų47.70%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-122.3134.2174-53.3-99.8000109.3E168 I169 S178 L181 T198 F201 I205 Y219E168-F203 WeakPolarHBondContact CA-O 3.08Å; I169-F203 HydrophobicContact CB-CB 4.04Å; I169-F203 HydrophobicContact CG1-CB 4.18Å; I169-F203 PolarHBondContact N-O 2.87Å; I169-F203 PolarHBondContact O-N 2.88Å; S178-F203 WeakPolarHBondContact OG-CD2 3.33Å; S178-F203 WeakPolarHBondContact OG-CE2 3.23Å; L181-F203 HydrophobicContact CD2-CB 3.95Å; L181-F203 HydrophobicContact CD2-CD1 3.61Å; L181-F203 HydrophobicContact CD2-CE1 4.38Å; L181-F203 HydrophobicContact CD2-CG 3.95Å; T198-F203 HydrophobicContact CG2-CZ 4.19Å; F201-F203 HydrophobicContact CB-CD2 4.42Å; F201-F203 HydrophobicContact CB-CE1 4.46Å; F201-F203 HydrophobicContact CB-CE2 3.72Å; F201-F203 HydrophobicContact CB-CZ 3.74Å; F201-F203 HydrophobicContact CG-CZ 4.46Å; F203-I205 HydrophobicContact CB-CD1 3.97Å; F203-Y219 HydrophobicContact CD1-CD2 4.02Å; F203-Y219 AromaticContact CD1-CE2 3.81Å; F203-Y219 HydrophobicContact CD1-CE2 3.81Å; F203-Y219 HydrophobicContact CE1-CE2 4.34Å
204Y98.8Very high94.4Very high0 Ų043.8 Ų43.80%022%0.22CC..EExtended strand (participates in β ladder)trans-112.7104.5179.4-60.7-85.6000108.5I158 F167 E168 L202 Y219 F220 K222 F253 L257I158-Y204 HydrophobicContact CD1-CD1 3.63Å; I158-Y204 HydrophobicContact CD1-CE1 3.71Å; F167-Y204 CarbonylContact O-C 3.53Å; F167-Y204 WeakPolarHBondContact O-CA 3.27Å; E168-Y204 HydrophobicContact CB-CD1 4.29Å; E168-Y204 HydrophobicContact CB-CE1 4.22Å; E168-Y204 HydrophobicContact CG-CD1 4.38Å; E168-Y204 HydrophobicContact CG-CE1 3.95Å; E168-Y204 PolarHBondContact OE2-OH 3.49Å; L202-Y204 HydrophobicContact CB-CE2 4.04Å; Y204-Y219 WeakPolarHBondContact O-CA 3.47Å; Y204-Y219 WeakPolarHBondContact O-CB 3.5Å; Y204-F220 HydrophobicContact CD1-CZ 4.48Å; Y204-F220 AromaticContact CD2-CD2 3.75Å; Y204-F220 HydrophobicContact CD2-CD2 3.75Å; Y204-F220 HydrophobicContact CD2-CE1 4.28Å; Y204-F220 AromaticContact CD2-CE2 3.16Å; Y204-F220 HydrophobicContact CD2-CE2 3.16Å; Y204-F220 HydrophobicContact CD2-CG 4.5Å; Y204-F220 AromaticContact CD2-CZ 3.47Å; Y204-F220 HydrophobicContact CD2-CZ 3.47Å; Y204-F220 VanDerWaalsContact CD2-CZ 3.47Å; Y204-F220 HydrophobicContact CE2-CD2 4.49Å; Y204-F220 AromaticContact CE2-CE2 3.69Å; Y204-F220 HydrophobicContact CE2-CE2 3.69Å; Y204-F220 HydrophobicContact CE2-CZ 4.14Å; Y204-F220 HydrophobicContact CG-CD2 4.5Å; Y204-F220 HydrophobicContact CG-CE1 4.16Å; Y204-F220 AromaticContact CG-CE2 3.85Å; Y204-F220 HydrophobicContact CG-CE2 3.85Å; Y204-F220 AromaticContact CG-CZ 3.65Å; Y204-F220 HydrophobicContact CG-CZ 3.65Å; Y204-F220 PolarHBondContact N-O 3.08Å; Y204-F220 PolarHBondContact O-N 3.42Å; Y204-F220 VanDerWaalsContact O-N 3.15Å; Y204-K222 HydrophobicContact CE2-CB 3.9Å; Y204-K222 HydrophobicContact CE2-CD 4.39Å; Y204-F253 HydrophobicContact CD1-CE1 4.45Å; Y204-L257 HydrophobicContact CD1-CD1 4.1Å; Y204-L257 HydrophobicContact CE1-CD1 3.58Å; Y204-L257 HydrophobicContact CE2-CD1 4.06Å
205I98.8Very high95Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-93.2117-172.6-44.2-53000108.7P153 V166 F167 I169 Y177 L181 F203 T207 I216 Y219P153-I205 HydrophobicContact CG-CG2 4.08Å; V166-I205 CarbonylContact C-O 3.56Å; V166-I205 VanDerWaalsContact CA-O 3.27Å; V166-I205 WeakPolarHBondContact CA-O 3.37Å; F167-I205 HydrophobicContact CB-CB 4.36Å; F167-I205 PolarHBondContact N-O 2.73Å; F167-I205 PolarHBondContact O-N 3.37Å; I169-I205 HydrophobicContact CD1-CG1 3.88Å; I169-I205 HydrophobicContact CG1-CD1 3.93Å; I169-I205 HydrophobicContact CG1-CG1 3.49Å; I169-I205 VanDerWaalsContact CG1-CG1 3.49Å; Y177-I205 HydrophobicContact CE1-CD1 4.06Å; Y177-I205 HydrophobicContact CE1-CG1 4.04Å; L181-I205 HydrophobicContact CD1-CD1 4.41Å; L181-I205 HydrophobicContact CD2-CD1 3.4Å; L181-I205 VanDerWaalsContact CD2-CD1 3.4Å; F203-I205 HydrophobicContact CB-CD1 3.97Å; I205-T207 HydrophobicContact CG2-CG2 4.15Å; I205-I216 HydrophobicContact CG2-CB 4.39Å; I205-I216 HydrophobicContact CG2-CD1 3.65Å; I205-I216 HydrophobicContact CG2-CG1 3.73Å; I205-Y219 HydrophobicContact CD1-CG 4.43Å
206F98.8Very high95.7Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-88.2134175.6-76.3-118.9000108.4L164 V166 V217 G218 F220 L249 M250 F253 I360L164-F206 HydrophobicContact CD1-CD1 4.09Å; V166-F206 HydrophobicContact CG1-CD2 4.02Å; V166-F206 HydrophobicContact CG1-CE2 3.76Å; V166-F206 HydrophobicContact CG1-CZ 4.26Å; V166-F206 HydrophobicContact CG2-CD1 3.9Å; V166-F206 HydrophobicContact CG2-CD2 4.15Å; V166-F206 HydrophobicContact CG2-CE1 3.72Å; V166-F206 HydrophobicContact CG2-CE2 3.96Å; V166-F206 HydrophobicContact CG2-CG 4.09Å; V166-F206 HydrophobicContact CG2-CZ 3.73Å; F206-V217 VanDerWaalsContact C-CG2 3.49Å; F206-V217 HydrophobicContact CB-CG2 3.51Å; F206-V217 WeakPolarHBondContact O-CG2 3.11Å; F206-V217 PolarHBondContact O-N 3.12Å; F206-G218 PolarHBondContact N-O 3Å; F206-F220 AromaticContact CE2-CD1 3.81Å; F206-F220 HydrophobicContact CE2-CD1 3.81Å; F206-F220 AromaticContact CE2-CE1 3.65Å; F206-F220 HydrophobicContact CE2-CE1 3.65Å; F206-F220 HydrophobicContact CZ-CE1 4.12Å; F206-L249 HydrophobicContact CE1-CB 4.47Å; F206-M250 HydrophobicContact CB-CE 3.72Å; F206-M250 HydrophobicContact CD1-CE 4.35Å; F206-M250 HydrophobicContact CD1-CG 3.85Å; F206-M250 HydrophobicContact CD2-CE 4.19Å; F206-M250 HydrophobicContact CD2-CG 3.75Å; F206-M250 HydrophobicContact CE1-CG 3.85Å; F206-M250 HydrophobicContact CE2-CB 4.39Å; F206-M250 HydrophobicContact CE2-CG 3.77Å; F206-M250 HydrophobicContact CG-CE 3.82Å; F206-M250 HydrophobicContact CG-CG 3.83Å; F206-M250 HydrophobicContact CZ-CB 4.25Å; F206-M250 HydrophobicContact CZ-CG 3.83Å; F206-F253 HydrophobicContact CE1-CB 4.31Å; F206-F253 HydrophobicContact CE1-CG 4.49Å; F206-F253 HydrophobicContact CE2-CD1 4.47Å; F206-F253 HydrophobicContact CZ-CB 3.61Å; F206-F253 HydrophobicContact CZ-CD1 4.04Å; F206-F253 HydrophobicContact CZ-CD2 4.19Å; F206-F253 AromaticContact CZ-CG 3.69Å; F206-F253 HydrophobicContact CZ-CG 3.69Å; F206-I360 HydrophobicContact CE1-CD1 4.48Å
207T98.6Very high96.2Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-136.2145.8-179.663.50000112.1P153 S165 F167 I205 C209 C214 H215P153-T207 HydrophobicContact CG-CG2 3.7Å; S165-T207 WeakPolarHBondContact CB-OG1 2.68Å; S165-T207 PolarHBondContact N-O 2.89Å; S165-T207 PolarHBondContact O-N 2.78Å; S165-T207 PolarHBondContact O-OG1 3.1Å; F167-T207 HydrophobicContact CD2-CG2 4.06Å; F167-T207 HydrophobicContact CE2-CG2 4.17Å; F167-T207 WeakPolarHBondContact CE2-OG1 3.1Å; I205-T207 HydrophobicContact CG2-CG2 4.15Å; T207-C209 PolarHBondContact OG1-SG 2.96Å; T207-C214 HydrophobicContact CG2-CB 4.13Å; T207-H215 CarbonylContact C-O 3.51Å; T207-H215 WeakPolarHBondContact CA-O 3.22Å; T207-H215 WeakPolarHBondContact CB-O 3.28Å
208E97.3Very high96.4Very high51 Ų5129 Ų2924%0.23815%0.153CC..EExtended strand (participates in β ladder)trans-89.7121.5159.3-75.9177.3-157.300108.2K163 H215 V217 Y246K163-E208 CarbonylContact O-C 3.48Å; K163-E208 WeakPolarHBondContact O-CA 3.27Å; E208-H215 PolarHBondContact N-O 2.56Å; E208-H215 PolarHBondContact O-CD2 2.85Å; E208-H215 PolarHBondContact O-N 2.88Å; E208-V217 HydrophobicContact CB-CG1 4.29Å; E208-V217 HydrophobicContact CG-CG1 3.77Å; E208-Y246 WeakPolarHBondContact CG-OH 3.08Å; E208-Y246 WeakPolarHBondContact OE1-CE2 3.48Å; E208-Y246 VanDerWaalsContact OE1-CZ 3.27Å; E208-Y246 PolarHBondContact OE1-OH 2.78Å
209C96.6Very high96.6Very high10 Ų1029.1 Ų29.17%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-105.2133.9176.8-43.80000112.8R160 K163 S165 T207 G213 C214R160-C209 PolarHBondContact NH1-SG 3.42Å; R160-C209 VanDerWaalsContact NH1-SG 3.42Å; K163-C209 PolarHBondContact O-N 2.72Å; S165-C209 VanDerWaalsContact CB-SG 3.58Å; S165-C209 PolarHBondContact OG-SG 2.78Å; T207-C209 PolarHBondContact OG1-SG 2.96Å; C209-G213 CarbonylContact C-O 3.5Å; C209-G213 WeakPolarHBondContact CA-O 3.12Å; C209-C214 HydrophobicContact CB-CB 4.07Å; C209-C214 WeakPolarHBondContact CB-SG 3.42Å; C209-C214 VanDerWaalsContact SG-CA 3.57Å; C209-C214 WeakPolarHBondContact SG-CB 3.44Å; C209-C214 CovalentContact SG-SG 2.05Å; C209-C214 PolarHBondContact SG-SG 2.94Å
210D94.6Very high96.8Very high71 Ų7125.6 Ų25.638%0.3814%0.137SC..EExtended strand (participates in β ladder)trans-132.7-163171.866.230.8000110.7Y212 G213 H215D210-Y212 PolarHBondContact O-N 3.32Å; D210-Y212 WeakPolarHBondContact OD1-CA 3.34Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.19Å; D210-Y212 PolarHBondContact OD1-N 3.45Å; D210-G213 PolarHBondContact N-O 3.44Å; D210-G213 PolarHBondContact O-N 2.78Å; D210-H215 IonicContact OD1-CD2 2.68Å; D210-H215 IonicContact OD1-NE2 3.12Å; D210-H215 PolarHBondContact OD1-NE2 3.16Å; D210-H215 IonicContact OD2-CD2 2.75Å; D210-H215 IonicContact OD2-NE2 2.78Å; D210-H215 PolarHBondContact OD2-NE2 3.2Å
211C92.1Very high97Very high113 Ų11323.1 Ų23.176%0.76412%0.121SC*.THydrogen-bonded Turntrans-69.3-12.4-179.855.40000114.4
212Y90.1Very high96.9Very high168 Ų16822.2 Ų22.266%0.65912%0.117SC*.THydrogen-bonded Turntrans-99.4-4.7178.5-58.1-73.7000113.2L151 D210L151-Y212 VanDerWaalsContact CD2-O 3.27Å; L151-Y212 WeakPolarHBondContact CD2-O 3.42Å; D210-Y212 PolarHBondContact O-N 3.32Å; D210-Y212 WeakPolarHBondContact OD1-CA 3.34Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.19Å; D210-Y212 PolarHBondContact OD1-N 3.45Å
213G93.7Very high96.8Very high9 Ų924.6 Ų24.69%0.09313%0.127CC..EExtended strand (participates in β ladder)trans129.2-166175.900000113.1L151 C209 D210 H215L151-G213 CarbonylContact O-C 3.55Å; L151-G213 WeakPolarHBondContact O-CA 3.39Å; C209-G213 CarbonylContact C-O 3.5Å; C209-G213 WeakPolarHBondContact CA-O 3.12Å; D210-G213 PolarHBondContact N-O 3.44Å; D210-G213 PolarHBondContact O-N 2.78Å; G213-H215 PolarHBondContact O-CD2 2.87Å
214C96.6Very high96.6Very high16 Ų1625.9 Ų25.911%0.10813%0.133CC..EExtended strand (participates in β ladder)trans-105.6101.5-179.3-70.20000110.8F136 L151 F167 T207 C209F136-C214 WeakPolarHBondContact CD1-O 3.28Å; L151-C214 PolarHBondContact O-N 2.77Å; F167-C214 HydrophobicContact CE2-CB 4.01Å; F167-C214 HydrophobicContact CZ-CB 4.3Å; T207-C214 HydrophobicContact CG2-CB 4.13Å; C209-C214 HydrophobicContact CB-CB 4.07Å; C209-C214 WeakPolarHBondContact CB-SG 3.42Å; C209-C214 VanDerWaalsContact SG-CA 3.57Å; C209-C214 WeakPolarHBondContact SG-CB 3.44Å; C209-C214 CovalentContact SG-SG 2.05Å; C209-C214 PolarHBondContact SG-SG 2.94Å
215H96.3Very high96.2Very high13 Ų1331.9 Ų31.96%0.0616%0.159CC..EExtended strand (participates in β ladder)trans-85.9121.9-174-54.2-78.8000111E135 T207 E208 D210 G213 V217E135-H215 HydrophobicContact CG-CB 4.47Å; E135-H215 WeakPolarHBondContact OE1-CB 3.46Å; E135-H215 IonicContact OE1-CG 3.94Å; E135-H215 IonicContact OE1-ND1 3.79Å; E135-H215 PolarHBondContact OE1-ND1 3.49Å; E135-H215 IonicContact OE2-CE1 3.32Å; E135-H215 IonicContact OE2-CG 3Å; E135-H215 IonicContact OE2-ND1 2.73Å; E135-H215 PolarHBondContact OE2-ND1 2.9Å; T207-H215 CarbonylContact C-O 3.51Å; T207-H215 WeakPolarHBondContact CA-O 3.22Å; T207-H215 WeakPolarHBondContact CB-O 3.28Å; E208-H215 PolarHBondContact N-O 2.56Å; E208-H215 PolarHBondContact O-CD2 2.85Å; E208-H215 PolarHBondContact O-N 2.88Å; D210-H215 IonicContact OD1-CD2 2.68Å; D210-H215 IonicContact OD1-NE2 3.12Å; D210-H215 PolarHBondContact OD1-NE2 3.16Å; D210-H215 IonicContact OD2-CD2 2.75Å; D210-H215 IonicContact OD2-NE2 2.78Å; D210-H215 PolarHBondContact OD2-NE2 3.2Å; G213-H215 PolarHBondContact O-CD2 2.87Å; H215-V217 PolarHBondContact O-N 3.32Å
216I97.9Very high95.7Very high1 Ų133 Ų331%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-61.4126.3-178.5-173.4171.2000112.1L108 E135 L138 L181 I205 L238 Y241L108-I216 HydrophobicContact CD2-CG2 4.03Å; E135-I216 HydrophobicContact CG-CG2 4.4Å; L138-I216 HydrophobicContact CD1-CD1 4.3Å; L138-I216 HydrophobicContact CD2-CD1 4.39Å; L138-I216 HydrophobicContact CD2-CG2 4.36Å; L181-I216 HydrophobicContact CD1-CD1 4.08Å; I205-I216 HydrophobicContact CG2-CB 4.39Å; I205-I216 HydrophobicContact CG2-CD1 3.65Å; I205-I216 HydrophobicContact CG2-CG1 3.73Å; I216-L238 HydrophobicContact CG1-CD1 4.12Å; I216-L238 HydrophobicContact CG2-CD1 3.9Å; I216-Y241 WeakPolarHBondContact O-CE2 3.22Å
217V98.3Very high95Very high0 Ų042.5 Ų42.50%021%0.209CC..EExtended strand (participates in β ladder)trans-103.4-23.8172.8-64.80000112.5F206 E208 H215 L238 Y241 Y246 M250F206-V217 VanDerWaalsContact C-CG2 3.49Å; F206-V217 HydrophobicContact CB-CG2 3.51Å; F206-V217 WeakPolarHBondContact O-CG2 3.11Å; F206-V217 PolarHBondContact O-N 3.12Å; E208-V217 HydrophobicContact CB-CG1 4.29Å; E208-V217 HydrophobicContact CG-CG1 3.77Å; H215-V217 PolarHBondContact O-N 3.32Å; V217-L238 WeakPolarHBondContact O-CB 3.44Å; V217-L238 PolarHBondContact O-N 2.98Å; V217-Y241 HydrophobicContact CB-CD1 4.03Å; V217-Y241 HydrophobicContact CB-CD2 4.14Å; V217-Y241 HydrophobicContact CB-CE1 4.43Å; V217-Y241 HydrophobicContact CB-CG 3.86Å; V217-Y241 HydrophobicContact CG1-CD1 3.42Å; V217-Y241 VanDerWaalsContact CG1-CD1 3.42Å; V217-Y241 HydrophobicContact CG1-CD2 4.13Å; V217-Y241 HydrophobicContact CG1-CE1 3.45Å; V217-Y241 VanDerWaalsContact CG1-CE1 3.45Å; V217-Y241 HydrophobicContact CG1-CE2 4.13Å; V217-Y241 HydrophobicContact CG1-CG 3.76Å; V217-Y246 HydrophobicContact CB-CD1 4.5Å; V217-Y246 HydrophobicContact CB-CD2 4.37Å; V217-Y246 HydrophobicContact CB-CE2 4.37Å; V217-Y246 HydrophobicContact CB-CG 4.44Å; V217-Y246 HydrophobicContact CG1-CE2 4.18Å; V217-Y246 HydrophobicContact CG2-CD1 3.91Å; V217-Y246 HydrophobicContact CG2-CE1 4.04Å; V217-Y246 HydrophobicContact CG2-CG 4.25Å; V217-M250 HydrophobicContact CG2-CE 4.45Å
218G98.5Very high94.6Very high1 Ų147.9 Ų47.91%0.0123%0.234CC..EExtended strand (participates in β ladder)trans163.1-170176.700000111.3F206 L236 M250F206-G218 PolarHBondContact N-O 3Å; G218-L236 CarbonylContact C-O 3.57Å; G218-L236 WeakPolarHBondContact CA-O 3.28Å; G218-M250 VanDerWaalsContact C-CE 3.49Å
219Y98.8Very high94.3Very high3 Ų348.9 Ų48.91%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-156.8166.8-178.981.9-74.6000111.6L181 A185 F203 Y204 I205 L236L181-Y219 HydrophobicContact CD1-CD1 3.7Å; L181-Y219 HydrophobicContact CD1-CE1 4.01Å; L181-Y219 HydrophobicContact CD1-CG 4.01Å; L181-Y219 HydrophobicContact CD2-CD1 4.38Å; L181-Y219 HydrophobicContact CD2-CD2 3.76Å; L181-Y219 HydrophobicContact CD2-CE2 4.06Å; L181-Y219 HydrophobicContact CD2-CG 3.94Å; L181-Y219 HydrophobicContact CG-CD1 4.19Å; L181-Y219 HydrophobicContact CG-CD2 4.32Å; L181-Y219 HydrophobicContact CG-CE1 4.18Å; L181-Y219 HydrophobicContact CG-CE2 4.32Å; L181-Y219 HydrophobicContact CG-CG 4.26Å; A185-Y219 HydrophobicContact CB-CE1 3.54Å; A185-Y219 WeakPolarHBondContact CB-OH 3.42Å; F203-Y219 HydrophobicContact CD1-CD2 4.02Å; F203-Y219 AromaticContact CD1-CE2 3.81Å; F203-Y219 HydrophobicContact CD1-CE2 3.81Å; F203-Y219 HydrophobicContact CE1-CE2 4.34Å; Y204-Y219 WeakPolarHBondContact O-CA 3.47Å; Y204-Y219 WeakPolarHBondContact O-CB 3.5Å; I205-Y219 HydrophobicContact CD1-CG 4.43Å; Y219-L236 HydrophobicContact CD1-CB 4.16Å; Y219-L236 HydrophobicContact CE1-CB 3.86Å; Y219-L236 HydrophobicContact CE1-CD2 4.19Å; Y219-L236 PolarHBondContact N-O 3.27Å; Y219-L236 PolarHBondContact O-N 2.62Å
220F98.7Very high94.2Very high0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-130.8154155.271.5-94.2000111Y204 F206 V232 C234 I235 M250 F253 L257Y204-F220 HydrophobicContact CD1-CZ 4.48Å; Y204-F220 AromaticContact CD2-CD2 3.75Å; Y204-F220 HydrophobicContact CD2-CD2 3.75Å; Y204-F220 HydrophobicContact CD2-CE1 4.28Å; Y204-F220 AromaticContact CD2-CE2 3.16Å; Y204-F220 HydrophobicContact CD2-CE2 3.16Å; Y204-F220 HydrophobicContact CD2-CG 4.5Å; Y204-F220 AromaticContact CD2-CZ 3.47Å; Y204-F220 HydrophobicContact CD2-CZ 3.47Å; Y204-F220 VanDerWaalsContact CD2-CZ 3.47Å; Y204-F220 HydrophobicContact CE2-CD2 4.49Å; Y204-F220 AromaticContact CE2-CE2 3.69Å; Y204-F220 HydrophobicContact CE2-CE2 3.69Å; Y204-F220 HydrophobicContact CE2-CZ 4.14Å; Y204-F220 HydrophobicContact CG-CD2 4.5Å; Y204-F220 HydrophobicContact CG-CE1 4.16Å; Y204-F220 AromaticContact CG-CE2 3.85Å; Y204-F220 HydrophobicContact CG-CE2 3.85Å; Y204-F220 AromaticContact CG-CZ 3.65Å; Y204-F220 HydrophobicContact CG-CZ 3.65Å; Y204-F220 PolarHBondContact N-O 3.08Å; Y204-F220 PolarHBondContact O-N 3.42Å; Y204-F220 VanDerWaalsContact O-N 3.15Å; F206-F220 AromaticContact CE2-CD1 3.81Å; F206-F220 HydrophobicContact CE2-CD1 3.81Å; F206-F220 AromaticContact CE2-CE1 3.65Å; F206-F220 HydrophobicContact CE2-CE1 3.65Å; F206-F220 HydrophobicContact CZ-CE1 4.12Å; F220-V232 HydrophobicContact CB-CG1 4.24Å; F220-V232 HydrophobicContact CD2-CG2 3.91Å; F220-V232 HydrophobicContact CE2-CG2 4.39Å; F220-V232 HydrophobicContact CG-CG2 4.3Å; F220-C234 CarbonylContact C-O 3.58Å; F220-C234 WeakPolarHBondContact CA-O 3.48Å; F220-C234 VanDerWaalsContact CB-O 3.28Å; F220-C234 WeakPolarHBondContact CB-O 3.25Å; F220-I235 HydrophobicContact CB-CB 4.03Å; F220-I235 HydrophobicContact CB-CG1 4.11Å; F220-M250 HydrophobicContact CD1-CB 4.23Å; F220-F253 HydrophobicContact CE1-CB 4.44Å; F220-F253 AromaticContact CE1-CD1 3.94Å; F220-F253 HydrophobicContact CE1-CD1 3.94Å; F220-F253 HydrophobicContact CZ-CD1 4Å; F220-L257 HydrophobicContact CZ-CD1 4.06Å
221S98Very high94.3Very high1 Ų147.2 Ų47.21%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-108.2150.7172.859.50000111.1L202 A233 C234L202-S221 CarbonylContact O-C 3.41Å; L202-S221 VanDerWaalsContact O-CA 3.22Å; L202-S221 WeakPolarHBondContact O-CA 3.38Å; S221-A233 PolarHBondContact O-N 2.48Å; S221-C234 PolarHBondContact N-O 3.14Å; S221-C234 WeakPolarHBondContact OG-CB 3.39Å; S221-C234 PolarHBondContact OG-N 3.49Å; S221-C234 VanDerWaalsContact OG-N 3.16Å
222K96.5Very high94.6Very high6 Ų642 Ų423%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-135134.5176.4-179.1171.8179.3-92.20108.8F201 L202 Y204 E261F201-K222 WeakPolarHBondContact CA-O 3.36Å; L202-K222 PolarHBondContact N-O 2.88Å; L202-K222 PolarHBondContact O-N 3.01Å; Y204-K222 HydrophobicContact CE2-CB 3.9Å; Y204-K222 HydrophobicContact CE2-CD 4.39Å; K222-E261 VanDerWaalsContact NZ-CD 3.33Å; K222-E261 IonicContact NZ-OE1 3.71Å; K222-E261 PolarHBondContact NZ-OE1 2.86Å; K222-E261 IonicContact NZ-OE2 3.24Å; K222-E261 PolarHBondContact NZ-OE2 2.85Å; K222-E261 VanDerWaalsContact NZ-OE2 3.12Å
223E94.9Very high94.9Very high52 Ų5234.7 Ų34.724%0.24317%0.168CC..EExtended strand (participates in β ladder)trans-65.5138.5171.2-69.4175.1-102.900110.2F201 K225F201-E223 HydrophobicContact CD1-CG 3.9Å; F201-E223 HydrophobicContact CE1-CG 3.43Å; F201-E223 VanDerWaalsContact CE1-CG 3.43Å; F201-E223 HydrophobicContact CZ-CG 4.19Å; E223-K225 VanDerWaalsContact C-N 3.28Å; E223-K225 PolarHBondContact O-N 3.01Å
224K94.1Very high95Very high29 Ų2935.4 Ų35.413%0.12617%0.171CC..SBendtrans-64.5-37.2174.8-71.5170.9177.6175.10111.5D170 E199 P200 L202 W372D170-K224 WeakPolarHBondContact OD1-CE 3.46Å; D170-K224 IonicContact OD1-NZ 3.55Å; D170-K224 PolarHBondContact OD1-NZ 2.82Å; D170-K224 IonicContact OD2-NZ 3.93Å; E199-K224 WeakPolarHBondContact O-CE 3.2Å; E199-K224 PolarHBondContact O-NZ 2.8Å; P200-K224 WeakPolarHBondContact O-CB 2.91Å; P200-K224 VanDerWaalsContact O-CG 3.3Å; P200-K224 WeakPolarHBondContact O-CG 3.12Å; P200-K224 PolarHBondContact O-N 2.77Å; L202-K224 HydrophobicContact CD2-CG 4.4Å; L202-K224 HydrophobicContact CG-CG 3.97Å; K224-W372 HydrophobicContact CB-CB 4.49Å; K224-W372 HydrophobicContact CB-CD2 3.8Å; K224-W372 HydrophobicContact CB-CE3 4.38Å; K224-W372 HydrophobicContact CB-CG 3.81Å; K224-W372 HydrophobicContact CD-CD2 3.99Å; K224-W372 HydrophobicContact CD-CE3 3.79Å; K224-W372 HydrophobicContact CD-CH2 3.97Å; K224-W372 HydrophobicContact CD-CZ2 4.17Å; K224-W372 HydrophobicContact CD-CZ3 3.77Å; K224-W372 HydrophobicContact CG-CD2 3.87Å; K224-W372 HydrophobicContact CG-CE3 4.2Å; K224-W372 HydrophobicContact CG-CG 4.4Å; K224-W372 HydrophobicContact CG-CH2 4.24Å; K224-W372 HydrophobicContact CG-CZ2 3.92Å; K224-W372 HydrophobicContact CG-CZ3 4.37Å
225K90.5Very high95.1Very high125 Ų12536.3 Ų36.354%0.54317%0.174SC..SBendtrans-128.9112173.7-64.3179.5-178.5175.20107.1E223 W372E223-K225 VanDerWaalsContact C-N 3.28Å; E223-K225 PolarHBondContact O-N 3.01Å; K225-W372 VanDerWaalsContact CE-C 3.44Å; K225-W372 WeakPolarHBondContact CE-O 3.32Å; K225-W372 HydrophobicContact CG-CB 4.07Å; K225-W372 PolarHBondContact NZ-O 3.27Å
226S88Confident95.2Very high24 Ų2436.1 Ų36.117%0.16817%0.173CC..  trans-118.4118.5176.6-172.60000108.2E228 D229 Y230S226-E228 VanDerWaalsContact C-N 3.25Å; S226-D229 PolarHBondContact O-N 2.75Å; S226-Y230 PolarHBondContact OG-N 3.12Å; S226-Y230 VanDerWaalsContact OG-N 3.07Å
227F85.4Confident95.2Very high199 Ų19937 Ų3787%0.87318%0.179SC*.THydrogen-bonded Turntrans-70.4-28.2176-64.6-80000112D229F227-D229 VanDerWaalsContact C-N 3.31Å
228E89.7Confident95.2Very high113 Ų11337 Ų3753%0.52818%0.179SC..THydrogen-bonded Turntrans-91.511.7179.7-67.2-64.6161.500112.4S226 Y230 K316S226-E228 VanDerWaalsContact C-N 3.25Å; E228-Y230 HydrophobicContact CB-CD1 4.17Å; E228-Y230 HydrophobicContact CB-CD2 3.89Å; E228-Y230 HydrophobicContact CB-CE1 3.83Å; E228-Y230 HydrophobicContact CB-CE2 3.55Å; E228-Y230 HydrophobicContact CB-CG 4.18Å; E228-Y230 HydrophobicContact CG-CE2 4.06Å; E228-Y230 PolarHBondContact O-N 2.68Å; E228-Y230 VanDerWaalsContact O-N 3.12Å; E228-K316 PolarHBondContact O-NZ 2.89Å
229D90.5Very high95.1Very high72 Ų7238.4 Ų38.439%0.38519%0.188SC..  trans47.940.7-177.6-70.8-49.1000113.7S226 F227 N231 G265S226-D229 PolarHBondContact O-N 2.75Å; F227-D229 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 3.03Å; D229-G265 WeakPolarHBondContact O-CA 3.41Å
230Y96.1Very high95.1Very high46 Ų4639.8 Ų39.818%0.1820%0.197CC..EExtended strand (participates in β ladder)trans-72.4127.9174.5-63.6-36.7000110.5S226 E228 T266 E268S226-Y230 PolarHBondContact OG-N 3.12Å; S226-Y230 VanDerWaalsContact OG-N 3.07Å; E228-Y230 HydrophobicContact CB-CD1 4.17Å; E228-Y230 HydrophobicContact CB-CD2 3.89Å; E228-Y230 HydrophobicContact CB-CE1 3.83Å; E228-Y230 HydrophobicContact CB-CE2 3.55Å; E228-Y230 HydrophobicContact CB-CG 4.18Å; E228-Y230 HydrophobicContact CG-CE2 4.06Å; E228-Y230 PolarHBondContact O-N 2.68Å; E228-Y230 VanDerWaalsContact O-N 3.12Å; Y230-T266 CarbonylContact C-O 3.57Å; Y230-T266 WeakPolarHBondContact CA-O 3.35Å; Y230-T266 HydrophobicContact CD1-CG2 3.59Å; Y230-T266 HydrophobicContact CE1-CG2 3.73Å; Y230-E268 HydrophobicContact CD2-CB 3.86Å; Y230-E268 HydrophobicContact CD2-CG 3.99Å; Y230-E268 HydrophobicContact CE2-CB 4.1Å; Y230-E268 HydrophobicContact CE2-CG 3.85Å; Y230-E268 HydrophobicContact CG-CB 4.19Å
231N96.8Very high95Very high1 Ų140 Ų401%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-89.7-16.6174.2670.5000112.3D229 Y255 S258 T266D229-N231 PolarHBondContact O-N 3.03Å; N231-Y255 WeakPolarHBondContact ND2-CE1 3.44Å; N231-S258 WeakPolarHBondContact CB-OG 3.48Å; N231-S258 PolarHBondContact ND2-OG 3.22Å; N231-T266 PolarHBondContact N-O 3.09Å; N231-T266 PolarHBondContact OD1-O 2.56Å; N231-T266 VanDerWaalsContact OD1-O 3.11Å
232V98.1Very high94.9Very high2 Ų242.6 Ų42.61%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-141123.1176.4173.20000109.2F220 I235 S254 P267 E268 Y279F220-V232 HydrophobicContact CB-CG1 4.24Å; F220-V232 HydrophobicContact CD2-CG2 3.91Å; F220-V232 HydrophobicContact CE2-CG2 4.39Å; F220-V232 HydrophobicContact CG-CG2 4.3Å; V232-I235 HydrophobicContact CG1-CB 3.84Å; V232-I235 HydrophobicContact CG1-CG2 4.13Å; V232-S254 VanDerWaalsContact CG2-CB 3.44Å; V232-S254 WeakPolarHBondContact CG2-OG 2.86Å; V232-P267 HydrophobicContact CB-CB 4.34Å; V232-P267 WeakPolarHBondContact O-CA 3.41Å; V232-E268 PolarHBondContact O-N 3.46Å; V232-Y279 WeakPolarHBondContact CG2-OH 3.48Å
233A95.7Very high94.7Very high16 Ų1654.4 Ų54.413%0.13225%0.254CS..SBendtrans-89.9-53.5170.600000111F201 S221 E268F201-A233 HydrophobicContact CD1-CB 4.37Å; F201-A233 HydrophobicContact CE1-CB 3.99Å; S221-A233 PolarHBondContact O-N 2.48Å; A233-E268 VanDerWaalsContact CA-OE2 3.28Å; A233-E268 WeakPolarHBondContact CA-OE2 3.39Å; A233-E268 WeakPolarHBondContact CB-OE2 3.4Å
234C96.4Very high94.6Very high24 Ų2457.4 Ų57.416%0.16227%0.266CS..EExtended strand (participates in β ladder)trans-128.1146.4172.7-650000109.7L189 F220 S221L189-C234 HydrophobicContact CD1-CB 4.15Å; F220-C234 CarbonylContact C-O 3.58Å; F220-C234 WeakPolarHBondContact CA-O 3.48Å; F220-C234 VanDerWaalsContact CB-O 3.28Å; F220-C234 WeakPolarHBondContact CB-O 3.25Å; S221-C234 PolarHBondContact N-O 3.14Å; S221-C234 WeakPolarHBondContact OG-CB 3.39Å; S221-C234 PolarHBondContact OG-N 3.49Å; S221-C234 VanDerWaalsContact OG-N 3.16Å
235I97.9Very high94.6Very high34 Ų3457.9 Ų57.917%0.17428%0.28CS..EExtended strand (participates in β ladder)trans-138.1135173.7-178167.3000109.5F220 V232 M250 I251F220-I235 HydrophobicContact CB-CB 4.03Å; F220-I235 HydrophobicContact CB-CG1 4.11Å; V232-I235 HydrophobicContact CG1-CB 3.84Å; V232-I235 HydrophobicContact CG1-CG2 4.13Å; I235-M250 HydrophobicContact CD1-CB 3.69Å; I235-M250 HydrophobicContact CD1-SD 4.46Å; I235-M250 HydrophobicContact CG1-CB 4.37Å; I235-M250 HydrophobicContact CG1-SD 4.22Å; I235-I251 HydrophobicContact CD1-CG1 3.89Å
236L97.9Very high94.9Very high9 Ų953.4 Ų53.45%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-145.6125178.8177.365.1000110.6A185 F188 L189 G218 Y219 L238A185-L236 HydrophobicContact CB-CD2 4.05Å; F188-L236 HydrophobicContact CB-CD1 3.69Å; F188-L236 HydrophobicContact CB-CD2 4.12Å; F188-L236 HydrophobicContact CD2-CD2 4.12Å; L189-L236 HydrophobicContact CD1-CB 4.45Å; L189-L236 HydrophobicContact CD2-CB 4.5Å; L189-L236 HydrophobicContact CD2-CD1 4.27Å; G218-L236 CarbonylContact C-O 3.57Å; G218-L236 WeakPolarHBondContact CA-O 3.28Å; Y219-L236 HydrophobicContact CD1-CB 4.16Å; Y219-L236 HydrophobicContact CE1-CB 3.86Å; Y219-L236 HydrophobicContact CE1-CD2 4.19Å; Y219-L236 PolarHBondContact N-O 3.27Å; Y219-L236 PolarHBondContact O-N 2.62Å; L236-L238 HydrophobicContact CD2-CD2 4.14Å
237V98.4Very high95.3Very high19 Ų1953 Ų5312%0.11526%0.26CS..EExtended strand (participates in β ladder)trans-95.2123.8159.4-177.90000107.5Q242 M250V237-Q242 HydrophobicContact CB-CG 4.12Å; V237-Q242 HydrophobicContact CG1-CG 3.95Å; V237-Q242 PolarHBondContact O-NE2 3.12Å; V237-M250 HydrophobicContact CG2-CE 4.09Å; V237-M250 HydrophobicContact CG2-SD 3.79Å
238L98.4Very high95.8Very high2 Ų245.8 Ų45.81%0.0123%0.227CC..  trans-60.8142.2179.9-68.9174.1000110.1L108 L184 F188 I216 V217 L236 P240 Y241 Q242L108-L238 HydrophobicContact CD2-CD1 3.67Å; L184-L238 HydrophobicContact CD1-CD2 4.39Å; L184-L238 HydrophobicContact CD2-CD2 4.25Å; L184-L238 HydrophobicContact CG-CD2 4.31Å; F188-L238 HydrophobicContact CD2-CD2 4.43Å; F188-L238 HydrophobicContact CE2-CD2 4.36Å; I216-L238 HydrophobicContact CG1-CD1 4.12Å; I216-L238 HydrophobicContact CG2-CD1 3.9Å; V217-L238 WeakPolarHBondContact O-CB 3.44Å; V217-L238 PolarHBondContact O-N 2.98Å; L236-L238 HydrophobicContact CD2-CD2 4.14Å; L238-P240 VanDerWaalsContact C-CD 3.42Å; L238-P240 VanDerWaalsContact O-N 3.14Å; L238-Y241 HydrophobicContact CB-CD2 4.13Å; L238-Y241 WeakPolarHBondContact O-CA 3.42Å; L238-Y241 PolarHBondContact O-N 3.11Å; L238-Q242 PolarHBondContact O-N 3.44Å
239P97.4Very high96.2Very high30 Ų3040.9 Ų40.920%0.19520%0.204CC..G310 helixtrans-49.9-42.3-171.4-27.834.3000115.9I113 W116 F188 Y241 Q242I113-P239 HydrophobicContact CG2-CB 4.06Å; I113-P239 HydrophobicContact CG2-CG 3.83Å; W116-P239 HydrophobicContact CZ2-CB 4.4Å; W116-P239 HydrophobicContact CZ2-CG 4.15Å; F188-P239 HydrophobicContact CD1-CG 3.63Å; F188-P239 HydrophobicContact CE1-CG 3.58Å; F188-P239 HydrophobicContact CG-CG 4.16Å; F188-P239 HydrophobicContact CZ-CG 4.05Å; P239-Y241 PolarHBondContact O-N 2.98Å; P239-Y241 VanDerWaalsContact O-N 3.08Å; P239-Q242 PolarHBondContact O-N 3.23Å
240P97.4Very high96.5Very high31 Ų3137.4 Ų37.420%0.20119%0.185CC..G310 helixtrans-64-14.4178.1-22.334.8000115.1Y111 I113 L238 K244Y111-P240 HydrophobicContact CD1-CB 3.75Å; Y111-P240 HydrophobicContact CD1-CG 3.97Å; Y111-P240 HydrophobicContact CD2-CB 3.87Å; Y111-P240 HydrophobicContact CD2-CG 3.97Å; Y111-P240 HydrophobicContact CE1-CB 3.84Å; Y111-P240 HydrophobicContact CE2-CB 3.95Å; Y111-P240 HydrophobicContact CG-CB 3.76Å; Y111-P240 HydrophobicContact CG-CG 3.64Å; I113-P240 HydrophobicContact CD1-CG 3.68Å; I113-P240 HydrophobicContact CG1-CG 3.89Å; L238-P240 VanDerWaalsContact C-CD 3.42Å; L238-P240 VanDerWaalsContact O-N 3.14Å; P240-K244 WeakPolarHBondContact O-CE 3.35Å; P240-K244 PolarHBondContact O-NZ 3.45Å
241Y97Very high96.7Very high5 Ų535.3 Ų35.32%0.0218%0.177CC..G310 helixtrans-110.70.2-177-62-80.7000113.2Y111 I216 V217 L238 P239 Y246Y111-Y241 HydrophobicContact CD2-CE2 4.35Å; Y111-Y241 AromaticContact CE2-CE2 3.95Å; Y111-Y241 HydrophobicContact CE2-CE2 3.95Å; Y111-Y241 AromaticContact CE2-CZ 3.75Å; I216-Y241 WeakPolarHBondContact O-CE2 3.22Å; V217-Y241 HydrophobicContact CB-CD1 4.03Å; V217-Y241 HydrophobicContact CB-CD2 4.14Å; V217-Y241 HydrophobicContact CB-CE1 4.43Å; V217-Y241 HydrophobicContact CB-CG 3.86Å; V217-Y241 HydrophobicContact CG1-CD1 3.42Å; V217-Y241 VanDerWaalsContact CG1-CD1 3.42Å; V217-Y241 HydrophobicContact CG1-CD2 4.13Å; V217-Y241 HydrophobicContact CG1-CE1 3.45Å; V217-Y241 VanDerWaalsContact CG1-CE1 3.45Å; V217-Y241 HydrophobicContact CG1-CE2 4.13Å; V217-Y241 HydrophobicContact CG1-CG 3.76Å; L238-Y241 HydrophobicContact CB-CD2 4.13Å; L238-Y241 WeakPolarHBondContact O-CA 3.42Å; L238-Y241 PolarHBondContact O-N 3.11Å; P239-Y241 PolarHBondContact O-N 2.98Å; P239-Y241 VanDerWaalsContact O-N 3.08Å; Y241-Y246 HydrophobicContact CD1-CE2 4.02Å; Y241-Y246 WeakPolarHBondContact O-CD2 3.49Å
242Q95.3Very high96.7Very high56 Ų5635.3 Ų35.326%0.26218%0.177SC..THydrogen-bonded Turntrans-65.2155.5176.8-70.11789.100111.7W116 V237 L238 P239 K244W116-Q242 VanDerWaalsContact CH2-NE2 3.32Å; V237-Q242 HydrophobicContact CB-CG 4.12Å; V237-Q242 HydrophobicContact CG1-CG 3.95Å; V237-Q242 PolarHBondContact O-NE2 3.12Å; L238-Q242 PolarHBondContact O-N 3.44Å; P239-Q242 PolarHBondContact O-N 3.23Å; Q242-K244 PolarHBondContact O-N 2.89Å; Q242-K244 VanDerWaalsContact O-N 3.09Å
243R92.3Very high96.8Very high253 Ų25335.2 Ų35.296%0.95518%0.177SC*.THydrogen-bonded Turntrans60.312.2-178-56.3178.660163.1-1115.7
244K93.9Very high96.9Very high115 Ų11534.5 Ų34.550%0.517%0.171SC..SBendtrans-97.66173-60179.7-177.3167.90114P240 Q242 Y246P240-K244 WeakPolarHBondContact O-CE 3.35Å; P240-K244 PolarHBondContact O-NZ 3.45Å; Q242-K244 PolarHBondContact O-N 2.89Å; Q242-K244 VanDerWaalsContact O-N 3.09Å; K244-Y246 HydrophobicContact CB-CD2 3.95Å; K244-Y246 HydrophobicContact CB-CE2 3.99Å; K244-Y246 HydrophobicContact CD-CE2 4.33Å
245G93.3Very high97Very high40 Ų4033.4 Ų33.441%0.41216%0.163SC..SBendtrans94.5-9.818000000115.4G247 R248 L249G245-G247 VanDerWaalsContact C-N 3.29Å; G245-G247 PolarHBondContact O-N 3.08Å; G245-R248 WeakPolarHBondContact O-CB 3.47Å; G245-R248 PolarHBondContact O-N 3.11Å; G245-L249 PolarHBondContact O-N 3.14Å; G245-L249 VanDerWaalsContact O-N 3.11Å
246Y96.7Very high97Very high31 Ų3132.6 Ų32.612%0.12216%0.159CC..Hα-helixtrans-56.4-36.5-178.9-72.3-60.2000114.9L164 E208 V217 Y241 K244 R248 L249 M250L164-Y246 HydrophobicContact CD1-CE1 4.28Å; E208-Y246 WeakPolarHBondContact CG-OH 3.08Å; E208-Y246 WeakPolarHBondContact OE1-CE2 3.48Å; E208-Y246 VanDerWaalsContact OE1-CZ 3.27Å; E208-Y246 PolarHBondContact OE1-OH 2.78Å; V217-Y246 HydrophobicContact CB-CD1 4.5Å; V217-Y246 HydrophobicContact CB-CD2 4.37Å; V217-Y246 HydrophobicContact CB-CE2 4.37Å; V217-Y246 HydrophobicContact CB-CG 4.44Å; V217-Y246 HydrophobicContact CG1-CE2 4.18Å; V217-Y246 HydrophobicContact CG2-CD1 3.91Å; V217-Y246 HydrophobicContact CG2-CE1 4.04Å; V217-Y246 HydrophobicContact CG2-CG 4.25Å; Y241-Y246 HydrophobicContact CD1-CE2 4.02Å; Y241-Y246 WeakPolarHBondContact O-CD2 3.49Å; K244-Y246 HydrophobicContact CB-CD2 3.95Å; K244-Y246 HydrophobicContact CB-CE2 3.99Å; K244-Y246 HydrophobicContact CD-CE2 4.33Å; Y246-R248 VanDerWaalsContact C-N 3.31Å; Y246-R248 PolarHBondContact O-N 3.34Å; Y246-L249 HydrophobicContact CD1-CD1 4.04Å; Y246-L249 HydrophobicContact CE1-CD1 4.29Å; Y246-L249 PolarHBondContact O-N 2.79Å; Y246-M250 WeakPolarHBondContact O-CG 3.45Å; Y246-M250 PolarHBondContact O-N 3.37Å
247G96.5Very high97Very high16 Ų1632.2 Ų32.217%0.16516%0.157CC..Hα-helixtrans-61.3-41.7177.100000111.9G245 I251G245-G247 VanDerWaalsContact C-N 3.29Å; G245-G247 PolarHBondContact O-N 3.08Å; G247-I251 WeakPolarHBondContact O-CD1 3.21Å; G247-I251 VanDerWaalsContact O-CG1 3.23Å; G247-I251 WeakPolarHBondContact O-CG1 3.4Å; G247-I251 PolarHBondContact O-N 2.93Å; G247-I251 VanDerWaalsContact O-N 3.14Å
248R95.7Very high97Very high47 Ų4731.3 Ų31.318%0.17715%0.151CC..Hα-helixtrans-65.3-43.4174.6-173.5-172.6171.2-67.8-16.3111G245 Y246 M250 I251 E252 Y282 W352G245-R248 WeakPolarHBondContact O-CB 3.47Å; G245-R248 PolarHBondContact O-N 3.11Å; Y246-R248 VanDerWaalsContact C-N 3.31Å; Y246-R248 PolarHBondContact O-N 3.34Å; R248-M250 VanDerWaalsContact C-N 3.35Å; R248-M250 PolarHBondContact O-N 3.42Å; R248-I251 PolarHBondContact O-N 3.16Å; R248-E252 IonicContact CZ-OE1 3.87Å; R248-E252 IonicContact CZ-OE2 3.09Å; R248-E252 IonicContact NH1-OE1 2.75Å; R248-E252 PolarHBondContact NH1-OE1 2.95Å; R248-E252 IonicContact NH1-OE2 2.72Å; R248-E252 PolarHBondContact NH1-OE2 2.93Å; R248-E252 IonicContact NH2-OE1 3.97Å; R248-E252 PolarHBondContact NH2-OE1 3.11Å; R248-E252 IonicContact NH2-OE2 2.68Å; R248-E252 VanDerWaalsContact O-CB 3.29Å; R248-E252 WeakPolarHBondContact O-CB 3.36Å; R248-E252 PolarHBondContact O-N 3.47Å; R248-Y282 HydrophobicContact CG-CD2 4.25Å; R248-W352 VanDerWaalsContact CZ-CZ2 3.41Å; R248-W352 VanDerWaalsContact NH2-CH2 3.27Å
249L97.6Very high96.9Very high9 Ų934.7 Ų34.75%0.04717%0.166CC..Hα-helixtrans-61.3-41.8179.2-69.8173.6000112.2L164 F206 G245 Y246 E252 F253 V358 I360L164-L249 HydrophobicContact CD2-CD1 4.16Å; F206-L249 HydrophobicContact CE1-CB 4.47Å; G245-L249 PolarHBondContact O-N 3.14Å; G245-L249 VanDerWaalsContact O-N 3.11Å; Y246-L249 HydrophobicContact CD1-CD1 4.04Å; Y246-L249 HydrophobicContact CE1-CD1 4.29Å; Y246-L249 PolarHBondContact O-N 2.79Å; L249-E252 PolarHBondContact O-N 2.74Å; L249-F253 VanDerWaalsContact O-CB 3.28Å; L249-F253 WeakPolarHBondContact O-CB 3.47Å; L249-F253 PolarHBondContact O-N 3.04Å; L249-V358 HydrophobicContact CD1-CB 4.45Å; L249-V358 HydrophobicContact CD1-CG1 4.09Å; L249-V358 HydrophobicContact CD2-CB 4.46Å; L249-V358 HydrophobicContact CD2-CG1 4.09Å; L249-V358 WeakPolarHBondContact CD2-O 3.4Å; L249-I360 HydrophobicContact CB-CD1 4.21Å; L249-I360 HydrophobicContact CD2-CD1 3.96Å; L249-I360 HydrophobicContact CD2-CG1 4.19Å
250M98.7Very high96.9Very high0 Ų036.7 Ų36.70%017%0.174CC..Hα-helixtrans-65.8-42.4177.2-70.9168.9-171.600112.3F206 V217 G218 F220 I235 V237 Y246 R248 F253 S254F206-M250 HydrophobicContact CB-CE 3.72Å; F206-M250 HydrophobicContact CD1-CE 4.35Å; F206-M250 HydrophobicContact CD1-CG 3.85Å; F206-M250 HydrophobicContact CD2-CE 4.19Å; F206-M250 HydrophobicContact CD2-CG 3.75Å; F206-M250 HydrophobicContact CE1-CG 3.85Å; F206-M250 HydrophobicContact CE2-CB 4.39Å; F206-M250 HydrophobicContact CE2-CG 3.77Å; F206-M250 HydrophobicContact CG-CE 3.82Å; F206-M250 HydrophobicContact CG-CG 3.83Å; F206-M250 HydrophobicContact CZ-CB 4.25Å; F206-M250 HydrophobicContact CZ-CG 3.83Å; V217-M250 HydrophobicContact CG2-CE 4.45Å; G218-M250 VanDerWaalsContact C-CE 3.49Å; F220-M250 HydrophobicContact CD1-CB 4.23Å; I235-M250 HydrophobicContact CD1-CB 3.69Å; I235-M250 HydrophobicContact CD1-SD 4.46Å; I235-M250 HydrophobicContact CG1-CB 4.37Å; I235-M250 HydrophobicContact CG1-SD 4.22Å; V237-M250 HydrophobicContact CG2-CE 4.09Å; V237-M250 HydrophobicContact CG2-SD 3.79Å; Y246-M250 WeakPolarHBondContact O-CG 3.45Å; Y246-M250 PolarHBondContact O-N 3.37Å; R248-M250 VanDerWaalsContact C-N 3.35Å; R248-M250 PolarHBondContact O-N 3.42Å; M250-F253 PolarHBondContact O-N 3.14Å; M250-S254 PolarHBondContact O-N 2.93Å
251I98.6Very high96.8Very high2 Ų237.5 Ų37.51%0.0118%0.175CC..Hα-helixtrans-63.2-47.1175-66.4168.1000110.1I235 G247 R248 F253 S254 Y255 Y279 Y282I235-I251 HydrophobicContact CD1-CG1 3.89Å; G247-I251 WeakPolarHBondContact O-CD1 3.21Å; G247-I251 VanDerWaalsContact O-CG1 3.23Å; G247-I251 WeakPolarHBondContact O-CG1 3.4Å; G247-I251 PolarHBondContact O-N 2.93Å; G247-I251 VanDerWaalsContact O-N 3.14Å; R248-I251 PolarHBondContact O-N 3.16Å; I251-F253 VanDerWaalsContact C-N 3.32Å; I251-F253 PolarHBondContact O-N 3.47Å; I251-S254 PolarHBondContact O-N 3.29Å; I251-S254 PolarHBondContact O-OG 3.43Å; I251-Y255 HydrophobicContact CG2-CD2 4.03Å; I251-Y255 HydrophobicContact CG2-CE2 4.02Å; I251-Y255 WeakPolarHBondContact O-CD2 3.41Å; I251-Y255 PolarHBondContact O-N 3.43Å; I251-Y279 HydrophobicContact CB-CE1 4.32Å; I251-Y279 HydrophobicContact CD1-CD1 4.19Å; I251-Y279 HydrophobicContact CD1-CD2 3.76Å; I251-Y279 HydrophobicContact CD1-CE1 4.28Å; I251-Y279 HydrophobicContact CD1-CE2 3.85Å; I251-Y279 HydrophobicContact CD1-CG 3.93Å; I251-Y279 HydrophobicContact CG1-CD1 4.35Å; I251-Y279 HydrophobicContact CG1-CD2 4.24Å; I251-Y279 HydrophobicContact CG1-CE1 3.95Å; I251-Y279 HydrophobicContact CG1-CE2 3.83Å; I251-Y279 HydrophobicContact CG1-CG 4.48Å; I251-Y279 HydrophobicContact CG2-CD1 3.79Å; I251-Y279 HydrophobicContact CG2-CE1 3.53Å; I251-Y282 HydrophobicContact CB-CG 4.44Å; I251-Y282 HydrophobicContact CG2-CD1 3.44Å; I251-Y282 VanDerWaalsContact CG2-CD1 3.44Å; I251-Y282 HydrophobicContact CG2-CD2 4.04Å; I251-Y282 HydrophobicContact CG2-CE1 3.91Å; I251-Y282 HydrophobicContact CG2-CE2 4.45Å; I251-Y282 HydrophobicContact CG2-CG 3.52Å
252E98.3Very high96.6Very high1 Ų140.7 Ų40.71%0.00521%0.209CC..Hα-helixtrans-58.6-47177.8-176.1160.2-116.100111.2R248 L249 S254 Y255 E256 Y282 R359 I360R248-E252 IonicContact CZ-OE1 3.87Å; R248-E252 IonicContact CZ-OE2 3.09Å; R248-E252 IonicContact NH1-OE1 2.75Å; R248-E252 PolarHBondContact NH1-OE1 2.95Å; R248-E252 IonicContact NH1-OE2 2.72Å; R248-E252 PolarHBondContact NH1-OE2 2.93Å; R248-E252 IonicContact NH2-OE1 3.97Å; R248-E252 PolarHBondContact NH2-OE1 3.11Å; R248-E252 IonicContact NH2-OE2 2.68Å; R248-E252 VanDerWaalsContact O-CB 3.29Å; R248-E252 WeakPolarHBondContact O-CB 3.36Å; R248-E252 PolarHBondContact O-N 3.47Å; L249-E252 PolarHBondContact O-N 2.74Å; E252-S254 VanDerWaalsContact C-N 3.34Å; E252-S254 PolarHBondContact O-N 2.89Å; E252-Y255 PolarHBondContact O-N 2.96Å; E252-E256 WeakPolarHBondContact O-CG 3.44Å; E252-E256 PolarHBondContact O-N 2.96Å; E252-Y282 HydrophobicContact CB-CD2 4.35Å; E252-Y282 HydrophobicContact CB-CE2 3.62Å; E252-Y282 HydrophobicContact CG-CE2 3.99Å; E252-R359 IonicContact OE1-CZ 3.62Å; E252-R359 IonicContact OE1-NE 3.42Å; E252-R359 PolarHBondContact OE1-NE 3.42Å; E252-R359 IonicContact OE1-NH2 2.95Å; E252-R359 PolarHBondContact OE1-NH2 3.3Å; E252-R359 IonicContact OE2-NE 2.81Å; E252-R359 PolarHBondContact OE2-NE 3.28Å; E252-I360 HydrophobicContact CB-CG1 4.2Å; E252-I360 HydrophobicContact CG-CB 4.11Å; E252-I360 HydrophobicContact CG-CG1 4.11Å; E252-I360 PolarHBondContact OE2-N 3.25Å
253F98.8Very high96.6Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-60-40.9178-162.2-90.2000112.6I158 Y159 V166 Y204 F206 F220 L249 M250 I251 Y255 E256 L257 I360 I365I158-F253 HydrophobicContact CD1-CE1 3.83Å; I158-F253 HydrophobicContact CD1-CZ 3.81Å; I158-F253 HydrophobicContact CG1-CZ 4.25Å; Y159-F253 HydrophobicContact CD1-CE2 4.46Å; Y159-F253 AromaticContact CD2-CE2 3.81Å; Y159-F253 HydrophobicContact CD2-CE2 3.81Å; Y159-F253 AromaticContact CG-CE2 3.73Å; Y159-F253 HydrophobicContact CG-CE2 3.73Å; Y159-F253 HydrophobicContact CG-CZ 4.48Å; V166-F253 HydrophobicContact CB-CE2 4.37Å; V166-F253 HydrophobicContact CB-CZ 4.07Å; V166-F253 HydrophobicContact CG1-CE1 4.02Å; V166-F253 HydrophobicContact CG1-CZ 4.08Å; V166-F253 HydrophobicContact CG2-CD2 4.34Å; V166-F253 HydrophobicContact CG2-CE2 4Å; V166-F253 HydrophobicContact CG2-CZ 4.17Å; Y204-F253 HydrophobicContact CD1-CE1 4.45Å; F206-F253 HydrophobicContact CE1-CB 4.31Å; F206-F253 HydrophobicContact CE1-CG 4.49Å; F206-F253 HydrophobicContact CE2-CD1 4.47Å; F206-F253 HydrophobicContact CZ-CB 3.61Å; F206-F253 HydrophobicContact CZ-CD1 4.04Å; F206-F253 HydrophobicContact CZ-CD2 4.19Å; F206-F253 AromaticContact CZ-CG 3.69Å; F206-F253 HydrophobicContact CZ-CG 3.69Å; F220-F253 HydrophobicContact CE1-CB 4.44Å; F220-F253 AromaticContact CE1-CD1 3.94Å; F220-F253 HydrophobicContact CE1-CD1 3.94Å; F220-F253 HydrophobicContact CZ-CD1 4Å; L249-F253 VanDerWaalsContact O-CB 3.28Å; L249-F253 WeakPolarHBondContact O-CB 3.47Å; L249-F253 PolarHBondContact O-N 3.04Å; M250-F253 PolarHBondContact O-N 3.14Å; I251-F253 VanDerWaalsContact C-N 3.32Å; I251-F253 PolarHBondContact O-N 3.47Å; F253-Y255 VanDerWaalsContact C-N 3.28Å; F253-Y255 PolarHBondContact O-N 3.44Å; F253-E256 PolarHBondContact O-N 3.03Å; F253-L257 HydrophobicContact CD1-CD1 4.06Å; F253-L257 HydrophobicContact CD1-CD2 4.45Å; F253-L257 HydrophobicContact CD1-CG 4.02Å; F253-L257 HydrophobicContact CE1-CD1 3.9Å; F253-L257 HydrophobicContact CE1-CD2 3.89Å; F253-L257 HydrophobicContact CE1-CG 3.91Å; F253-L257 HydrophobicContact CZ-CD2 4.39Å; F253-L257 WeakPolarHBondContact O-CG 3.48Å; F253-L257 PolarHBondContact O-N 3.05Å; F253-I360 HydrophobicContact CB-CD1 4.37Å; F253-I360 HydrophobicContact CB-CG1 4.05Å; F253-I360 HydrophobicContact CD2-CD1 3.89Å; F253-I360 HydrophobicContact CD2-CG1 4.06Å; F253-I360 HydrophobicContact CD2-CG2 3.68Å; F253-I360 HydrophobicContact CE2-CG2 4.29Å; F253-I365 HydrophobicContact CD2-CD1 4.45Å; F253-I365 HydrophobicContact CE2-CD1 4.1Å; F253-I365 HydrophobicContact CE2-CG1 3.97Å; F253-I365 HydrophobicContact CZ-CG1 4.42Å
254S98.6Very high96.8Very high1 Ų131 Ų311%0.00718%0.177CC..Hα-helixtrans-64.8-33.3178.7730000112.5V232 M250 I251 E252 S258V232-S254 VanDerWaalsContact CG2-CB 3.44Å; V232-S254 WeakPolarHBondContact CG2-OG 2.86Å; M250-S254 PolarHBondContact O-N 2.93Å; I251-S254 PolarHBondContact O-N 3.29Å; I251-S254 PolarHBondContact O-OG 3.43Å; E252-S254 VanDerWaalsContact C-N 3.34Å; E252-S254 PolarHBondContact O-N 2.89Å; S254-S258 PolarHBondContact O-N 3.2Å; S254-S258 VanDerWaalsContact O-N 3.15Å; S254-S258 PolarHBondContact O-OG 3.39Å
255Y98.7Very high96.9Very high0 Ų025.5 Ų25.50%015%0.153CC..Hα-helixtrans-73.8-37.2171.5-80.4-70.3000113N231 I251 E252 F253 L257 S258 K259 G265 Y279 Y282 W283 S314 I315N231-Y255 WeakPolarHBondContact ND2-CE1 3.44Å; I251-Y255 HydrophobicContact CG2-CD2 4.03Å; I251-Y255 HydrophobicContact CG2-CE2 4.02Å; I251-Y255 WeakPolarHBondContact O-CD2 3.41Å; I251-Y255 PolarHBondContact O-N 3.43Å; E252-Y255 PolarHBondContact O-N 2.96Å; F253-Y255 VanDerWaalsContact C-N 3.28Å; F253-Y255 PolarHBondContact O-N 3.44Å; Y255-L257 VanDerWaalsContact C-N 3.31Å; Y255-L257 PolarHBondContact O-N 3.15Å; Y255-S258 WeakPolarHBondContact O-CA 3.42Å; Y255-S258 WeakPolarHBondContact O-CB 3.49Å; Y255-S258 PolarHBondContact O-N 2.91Å; Y255-K259 WeakPolarHBondContact O-CG 3.45Å; Y255-K259 PolarHBondContact O-N 3.17Å; Y255-G265 VanDerWaalsContact CE1-O 3.26Å; Y255-G265 WeakPolarHBondContact CE1-O 3.37Å; Y255-G265 PolarHBondContact OH-O 3.04Å; Y255-Y279 HydrophobicContact CE2-CE1 4.1Å; Y255-Y282 HydrophobicContact CD2-CD1 4.11Å; Y255-Y282 AromaticContact CD2-CE1 3.29Å; Y255-Y282 HydrophobicContact CD2-CE1 3.29Å; Y255-Y282 AromaticContact CD2-CZ 3.83Å; Y255-Y282 HydrophobicContact CE2-CD1 4.09Å; Y255-Y282 AromaticContact CE2-CE1 3.64Å; Y255-Y282 HydrophobicContact CE2-CE1 3.64Å; Y255-Y282 HydrophobicContact CG-CE1 4.07Å; Y255-W283 AromaticContact CE2-NE1 3.67Å; Y255-W283 AromaticContact CZ-NE1 3.57Å; Y255-W283 PolarHBondContact OH-NE1 3.3Å; Y255-S314 WeakPolarHBondContact CE1-O 3.39Å; Y255-I315 HydrophobicContact CD1-CG1 4.12Å; Y255-I315 HydrophobicContact CE1-CB 4.23Å; Y255-I315 HydrophobicContact CE1-CG1 3.68Å
256E98.2Very high97.1Very high18 Ų1823.7 Ų23.78%0.08414%0.135CC..Hα-helixtrans-60.9-39.9172.3-64.7-46.8131.800111.8E252 F253 S258 K259 I260 I360 P362 I365E252-E256 WeakPolarHBondContact O-CG 3.44Å; E252-E256 PolarHBondContact O-N 2.96Å; F253-E256 PolarHBondContact O-N 3.03Å; E256-S258 VanDerWaalsContact C-N 3.31Å; E256-S258 PolarHBondContact O-N 2.85Å; E256-K259 WeakPolarHBondContact O-CB 3.37Å; E256-K259 PolarHBondContact O-N 3.38Å; E256-K259 IonicContact OE1-NZ 3.56Å; E256-K259 PolarHBondContact OE1-NZ 2.87Å; E256-K259 WeakPolarHBondContact OE2-CD 3.4Å; E256-K259 IonicContact OE2-NZ 3.78Å; E256-K259 PolarHBondContact OE2-NZ 3.41Å; E256-I260 WeakPolarHBondContact O-CG1 3.37Å; E256-I260 PolarHBondContact O-N 3.47Å; E256-I360 HydrophobicContact CG-CG2 4.12Å; E256-P362 HydrophobicContact CG-CG 4.34Å; E256-P362 WeakPolarHBondContact OE2-CG 3.45Å; E256-I365 HydrophobicContact CB-CD1 3.64Å; E256-I365 HydrophobicContact CG-CD1 4.33Å
257L98Very high97.1Very high1 Ų122.4 Ų22.41%0.00513%0.13CC..Hα-helixtrans-62-39.9171.5-63.5-174.8000111.9Y204 F220 F253 Y255 K259 I260 E261 I365 W367Y204-L257 HydrophobicContact CD1-CD1 4.1Å; Y204-L257 HydrophobicContact CE1-CD1 3.58Å; Y204-L257 HydrophobicContact CE2-CD1 4.06Å; F220-L257 HydrophobicContact CZ-CD1 4.06Å; F253-L257 HydrophobicContact CD1-CD1 4.06Å; F253-L257 HydrophobicContact CD1-CD2 4.45Å; F253-L257 HydrophobicContact CD1-CG 4.02Å; F253-L257 HydrophobicContact CE1-CD1 3.9Å; F253-L257 HydrophobicContact CE1-CD2 3.89Å; F253-L257 HydrophobicContact CE1-CG 3.91Å; F253-L257 HydrophobicContact CZ-CD2 4.39Å; F253-L257 WeakPolarHBondContact O-CG 3.48Å; F253-L257 PolarHBondContact O-N 3.05Å; Y255-L257 VanDerWaalsContact C-N 3.31Å; Y255-L257 PolarHBondContact O-N 3.15Å; L257-K259 VanDerWaalsContact C-N 3.33Å; L257-K259 PolarHBondContact O-N 3.26Å; L257-I260 PolarHBondContact O-N 2.91Å; L257-E261 WeakPolarHBondContact O-CG 3.47Å; L257-E261 PolarHBondContact O-N 2.82Å; L257-I365 HydrophobicContact CD2-CG2 4.27Å; L257-W367 HydrophobicContact CD2-CB 4.37Å; L257-W367 HydrophobicContact CD2-CD2 3.81Å; L257-W367 HydrophobicContact CD2-CE3 3.79Å; L257-W367 HydrophobicContact CD2-CG 4.08Å; L257-W367 HydrophobicContact CD2-CZ3 4.34Å
258S97.4Very high97Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-64.1-37.6177.5-53.80000111.8N231 S254 Y255 E256 E261 G262 K263N231-S258 WeakPolarHBondContact CB-OG 3.48Å; N231-S258 PolarHBondContact ND2-OG 3.22Å; S254-S258 PolarHBondContact O-N 3.2Å; S254-S258 VanDerWaalsContact O-N 3.15Å; S254-S258 PolarHBondContact O-OG 3.39Å; Y255-S258 WeakPolarHBondContact O-CA 3.42Å; Y255-S258 WeakPolarHBondContact O-CB 3.49Å; Y255-S258 PolarHBondContact O-N 2.91Å; E256-S258 VanDerWaalsContact C-N 3.31Å; E256-S258 PolarHBondContact O-N 2.85Å; S258-E261 CarbonylContact O-C 3.58Å; S258-E261 PolarHBondContact O-N 3.32Å; S258-G262 PolarHBondContact O-N 3.14Å; S258-G262 VanDerWaalsContact O-N 3.11Å; S258-K263 CarbonylContact C-O 3.41Å; S258-K263 PolarHBondContact O-N 3.11Å; S258-K263 VanDerWaalsContact O-O 3.11Å
259K97.5Very high96.8Very high73 Ų7328.2 Ų28.232%0.31715%0.153SC..Hα-helixtrans-63.2-45.1173.2-70.6171.6-174.3170.50111.9Y255 E256 L257 E261 G262 S314Y255-K259 WeakPolarHBondContact O-CG 3.45Å; Y255-K259 PolarHBondContact O-N 3.17Å; E256-K259 WeakPolarHBondContact O-CB 3.37Å; E256-K259 PolarHBondContact O-N 3.38Å; E256-K259 IonicContact OE1-NZ 3.56Å; E256-K259 PolarHBondContact OE1-NZ 2.87Å; E256-K259 WeakPolarHBondContact OE2-CD 3.4Å; E256-K259 IonicContact OE2-NZ 3.78Å; E256-K259 PolarHBondContact OE2-NZ 3.41Å; L257-K259 VanDerWaalsContact C-N 3.33Å; L257-K259 PolarHBondContact O-N 3.26Å; K259-E261 VanDerWaalsContact C-N 3.27Å; K259-E261 PolarHBondContact O-N 3.3Å; K259-G262 WeakPolarHBondContact O-CA 3.38Å; K259-G262 PolarHBondContact O-N 3.19Å; K259-S314 WeakPolarHBondContact CA-OG 3.21Å; K259-S314 WeakPolarHBondContact CG-OG 2.81Å; K259-S314 PolarHBondContact N-OG 3.43Å
260I97Very high96.5Very high71 Ų7133.3 Ų33.336%0.36419%0.187SC..Hα-helixtrans-63.5-35.5176.1-63.7165.8000111E256 L257 G262 I365 W367 P369E256-I260 WeakPolarHBondContact O-CG1 3.37Å; E256-I260 PolarHBondContact O-N 3.47Å; L257-I260 PolarHBondContact O-N 2.91Å; I260-G262 PolarHBondContact O-N 3.44Å; I260-I365 HydrophobicContact CD1-CB 4.22Å; I260-I365 HydrophobicContact CD1-CD1 4.27Å; I260-I365 HydrophobicContact CD1-CG2 3.69Å; I260-W367 HydrophobicContact CB-CE3 4.26Å; I260-W367 HydrophobicContact CB-CZ3 4.16Å; I260-W367 HydrophobicContact CD1-CE3 4.42Å; I260-W367 HydrophobicContact CG2-CE3 3.83Å; I260-W367 HydrophobicContact CG2-CZ3 3.86Å; I260-P369 HydrophobicContact CG2-CG 4.32Å
261E94Very high96Very high48 Ų4835.2 Ų35.222%0.22420%0.197CC..THydrogen-bonded Turntrans-70.8-11172.2-71.2-177.415300113.5K222 L257 S258 K259 K263 W367 P369K222-E261 VanDerWaalsContact NZ-CD 3.33Å; K222-E261 IonicContact NZ-OE1 3.71Å; K222-E261 PolarHBondContact NZ-OE1 2.86Å; K222-E261 IonicContact NZ-OE2 3.24Å; K222-E261 PolarHBondContact NZ-OE2 2.85Å; K222-E261 VanDerWaalsContact NZ-OE2 3.12Å; L257-E261 WeakPolarHBondContact O-CG 3.47Å; L257-E261 PolarHBondContact O-N 2.82Å; S258-E261 CarbonylContact O-C 3.58Å; S258-E261 PolarHBondContact O-N 3.32Å; K259-E261 VanDerWaalsContact C-N 3.27Å; K259-E261 PolarHBondContact O-N 3.3Å; E261-K263 VanDerWaalsContact C-N 3.29Å; E261-K263 HydrophobicContact CB-CD 4Å; E261-K263 HydrophobicContact CB-CG 3.95Å; E261-K263 PolarHBondContact O-N 2.94Å; E261-K263 WeakPolarHBondContact OE2-CD 3.45Å; E261-K263 WeakPolarHBondContact OE2-CE 3.28Å; E261-K263 IonicContact OE2-NZ 2.7Å; E261-K263 PolarHBondContact OE2-NZ 3.35Å; E261-W367 HydrophobicContact CG-CH2 3.53Å; E261-W367 HydrophobicContact CG-CZ3 3.8Å; E261-W367 WeakPolarHBondContact OE1-CH2 3.34Å; E261-P369 HydrophobicContact CB-CG 4.47Å; E261-P369 HydrophobicContact CG-CB 4.08Å; E261-P369 HydrophobicContact CG-CG 3.85Å
262G94.2Very high95.6Very high72 Ų7237.9 Ų37.974%0.74222%0.215SC*.THydrogen-bonded Turntrans67.527.9-177.200000113.4S258 K259 I260S258-G262 PolarHBondContact O-N 3.14Å; S258-G262 VanDerWaalsContact O-N 3.11Å; K259-G262 WeakPolarHBondContact O-CA 3.38Å; K259-G262 PolarHBondContact O-N 3.19Å; I260-G262 PolarHBondContact O-N 3.44Å
263K94.4Very high95.1Very high57 Ų5741.2 Ų41.225%0.24823%0.233CC..  trans-129165.2-175.678.5-174.6-157.1-166.60112.6S258 E261 S314S258-K263 CarbonylContact C-O 3.41Å; S258-K263 PolarHBondContact O-N 3.11Å; S258-K263 VanDerWaalsContact O-O 3.11Å; E261-K263 VanDerWaalsContact C-N 3.29Å; E261-K263 HydrophobicContact CB-CD 4Å; E261-K263 HydrophobicContact CB-CG 3.95Å; E261-K263 PolarHBondContact O-N 2.94Å; E261-K263 WeakPolarHBondContact OE2-CD 3.45Å; E261-K263 WeakPolarHBondContact OE2-CE 3.28Å; E261-K263 IonicContact OE2-NZ 2.7Å; E261-K263 PolarHBondContact OE2-NZ 3.35Å; K263-S314 WeakPolarHBondContact O-CB 3.27Å; K263-S314 PolarHBondContact O-OG 3.41Å
264V96.6Very high94.8Very high48 Ų4844.5 Ų44.529%0.29125%0.251SS..  trans-92.9149.4168.5-63.20000110.3C310 S314 K316V264-C310 HydrophobicContact CG1-CB 4.12Å; V264-S314 CarbonylContact C-O 3.48Å; V264-S314 VanDerWaalsContact CA-O 3.27Å; V264-S314 WeakPolarHBondContact CA-O 3.47Å; V264-K316 HydrophobicContact CB-CG 4.31Å; V264-K316 HydrophobicContact CG2-CG 4.1Å
265G96Very high94.5Very high0 Ų044.9 Ų44.90%026%0.255CS..BIsolated β-bridgetrans-145.8162.4-17800000113.5D229 Y255 S314 K316D229-G265 WeakPolarHBondContact O-CA 3.41Å; Y255-G265 VanDerWaalsContact CE1-O 3.26Å; Y255-G265 WeakPolarHBondContact CE1-O 3.37Å; Y255-G265 PolarHBondContact OH-O 3.04Å; G265-S314 PolarHBondContact N-O 2.91Å; G265-K316 PolarHBondContact O-N 3.21Å
266T97.7Very high94.3Very high3 Ų348.5 Ų48.52%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-146.1155.2175.6-169.50000108.9Y230 N231 K316 D319Y230-T266 CarbonylContact C-O 3.57Å; Y230-T266 WeakPolarHBondContact CA-O 3.35Å; Y230-T266 HydrophobicContact CD1-CG2 3.59Å; Y230-T266 HydrophobicContact CE1-CG2 3.73Å; N231-T266 PolarHBondContact N-O 3.09Å; N231-T266 PolarHBondContact OD1-O 2.56Å; N231-T266 VanDerWaalsContact OD1-O 3.11Å; T266-K316 HydrophobicContact CG2-CD 3.64Å; T266-K316 HydrophobicContact CG2-CG 4.32Å; T266-D319 WeakPolarHBondContact CB-OD2 3.31Å; T266-D319 PolarHBondContact OG1-OD2 3.01Å
267P97.5Very high94Very high3 Ų353.3 Ų53.32%0.01930%0.298CS..EExtended strand (participates in β ladder)trans-68.1153.5168.528.7-37.3000112.6V232 L271 Y279 W283V232-P267 HydrophobicContact CB-CB 4.34Å; V232-P267 WeakPolarHBondContact O-CA 3.41Å; P267-L271 HydrophobicContact CB-CD2 3.82Å; P267-L271 HydrophobicContact CG-CD1 4.17Å; P267-L271 HydrophobicContact CG-CD2 3.86Å; P267-L271 HydrophobicContact CG-CG 4.37Å; P267-Y279 HydrophobicContact CB-CE1 4.04Å; P267-Y279 HydrophobicContact CB-CE2 3.9Å; P267-Y279 HydrophobicContact CG-CD1 3.89Å; P267-Y279 HydrophobicContact CG-CD2 4.18Å; P267-Y279 HydrophobicContact CG-CE1 3.58Å; P267-Y279 HydrophobicContact CG-CE2 3.9Å; P267-Y279 HydrophobicContact CG-CG 4.18Å; P267-W283 HydrophobicContact CG-CZ2 4.26Å
268E93.8Very high93.9Very high82 Ų8255.5 Ų55.538%0.38331%0.314SS..  trans-56.9143.8166.8-171.6-179166.100110.9Y230 V232 A233Y230-E268 HydrophobicContact CD2-CB 3.86Å; Y230-E268 HydrophobicContact CD2-CG 3.99Å; Y230-E268 HydrophobicContact CE2-CB 4.1Å; Y230-E268 HydrophobicContact CE2-CG 3.85Å; Y230-E268 HydrophobicContact CG-CB 4.19Å; V232-E268 PolarHBondContact O-N 3.46Å; A233-E268 VanDerWaalsContact CA-OE2 3.28Å; A233-E268 WeakPolarHBondContact CA-OE2 3.39Å; A233-E268 WeakPolarHBondContact CB-OE2 3.4Å
269K91.3Very high93.9Very high103 Ų10355.6 Ų55.645%0.44831%0.314SS..SBendtrans-112.3147.9-176.2-62.6175.7-176.7172.90109.9E318K269-E318 IonicContact NZ-OE2 3.89Å
270P90.5Very high93.8Very high116 Ų11657.6 Ų57.675%0.75332%0.32SS*.SBendcis-82144.60.733-34.6000113.2
271L88.7Confident93.7Very high40 Ų4057.9 Ų57.921%0.20933%0.328CS..PPolyproline II helixtrans-71.4143.6171.1-69.2173000111P267 M276 Y279P267-L271 HydrophobicContact CB-CD2 3.82Å; P267-L271 HydrophobicContact CG-CD1 4.17Å; P267-L271 HydrophobicContact CG-CD2 3.86Å; P267-L271 HydrophobicContact CG-CG 4.37Å; L271-M276 HydrophobicContact CB-CB 4.15Å; L271-Y279 HydrophobicContact CD1-CD2 3.97Å; L271-Y279 HydrophobicContact CD1-CG 4.2Å; L271-Y279 HydrophobicContact CD2-CD2 3.91Å; L271-Y279 HydrophobicContact CD2-CE2 3.98Å
272S90.4Very high93.8Very high58 Ų5855.7 Ų55.741%0.40632%0.318SS..PPolyproline II helixtrans-61.9160.8164.766.70000110.9L274 G275 M276S272-L274 VanDerWaalsContact C-N 3.33Å; S272-L274 PolarHBondContact O-N 2.95Å; S272-G275 CarbonylContact O-C 3.5Å; S272-G275 WeakPolarHBondContact O-CA 3.38Å; S272-G275 PolarHBondContact O-N 2.97Å; S272-G275 VanDerWaalsContact O-N 3.08Å; S272-G275 PolarHBondContact OG-N 2.87Å; S272-G275 VanDerWaalsContact OG-N 3.12Å; S272-M276 WeakPolarHBondContact O-CB 3.33Å; S272-M276 PolarHBondContact O-N 2.87Å
273D88.9Confident94Very high71 Ų7153.2 Ų53.238%0.3829%0.286SS..Hα-helixtrans-49-49.9173.659.1-19.8000113.2N20 R22 M276 L277N20-D273 PolarHBondContact ND2-OD2 2.99Å; R22-D273 IonicContact CZ-OD1 3.55Å; R22-D273 VanDerWaalsContact CZ-OD1 3.32Å; R22-D273 IonicContact CZ-OD2 3.56Å; R22-D273 VanDerWaalsContact NH1-CG 3.31Å; R22-D273 IonicContact NH1-OD1 3.46Å; R22-D273 PolarHBondContact NH1-OD1 3.44Å; R22-D273 IonicContact NH1-OD2 3.49Å; R22-D273 PolarHBondContact NH1-OD2 2.88Å; R22-D273 IonicContact NH2-OD1 2.76Å; R22-D273 PolarHBondContact NH2-OD1 2.78Å; R22-D273 IonicContact NH2-OD2 2.94Å; D273-M276 PolarHBondContact O-N 3.34Å; D273-L277 WeakPolarHBondContact O-CG 3.26Å; D273-L277 PolarHBondContact O-N 3.14Å; D273-L277 VanDerWaalsContact O-N 3.14Å
274L90.9Very high94.1Very high69 Ų6955.2 Ų55.236%0.36130%0.295SS..Hα-helixtrans-67-38.1177.3-63.6179.2000111.9W116 S272 S278W116-L274 HydrophobicContact CH2-CD1 4.38Å; S272-L274 VanDerWaalsContact C-N 3.33Å; S272-L274 PolarHBondContact O-N 2.95Å; L274-S278 WeakPolarHBondContact O-CB 3.45Å; L274-S278 PolarHBondContact O-N 3.38Å; L274-S278 VanDerWaalsContact O-N 3.11Å; L274-S278 PolarHBondContact O-OG 3.02Å
275G93.1Very high94Very high9 Ų954 Ų549%0.09329%0.285CS..Hα-helixtrans-61.9-49.3175.200000111.4S272 L277 S278 Y279S272-G275 CarbonylContact O-C 3.5Å; S272-G275 WeakPolarHBondContact O-CA 3.38Å; S272-G275 PolarHBondContact O-N 2.97Å; S272-G275 VanDerWaalsContact O-N 3.08Å; S272-G275 PolarHBondContact OG-N 2.87Å; S272-G275 VanDerWaalsContact OG-N 3.12Å; G275-L277 PolarHBondContact O-N 3.47Å; G275-S278 PolarHBondContact O-N 3.06Å; G275-S278 VanDerWaalsContact O-N 3.14Å; G275-Y279 WeakPolarHBondContact O-CD2 3.2Å; G275-Y279 PolarHBondContact O-N 2.61Å
276M93.6Very high94Very high77 Ų7754.5 Ų54.538%0.37929%0.289SS..Hα-helixtrans-61.3-44-179.1-171.1177.7-60.300112.1L271 S272 D273 S278 R280L271-M276 HydrophobicContact CB-CB 4.15Å; S272-M276 WeakPolarHBondContact O-CB 3.33Å; S272-M276 PolarHBondContact O-N 2.87Å; D273-M276 PolarHBondContact O-N 3.34Å; M276-S278 VanDerWaalsContact C-N 3.32Å; M276-S278 PolarHBondContact O-N 3.24Å; M276-R280 VanDerWaalsContact O-CB 3.31Å; M276-R280 WeakPolarHBondContact O-CB 3.23Å; M276-R280 VanDerWaalsContact O-CG 3.29Å; M276-R280 WeakPolarHBondContact O-CG 3.29Å; M276-R280 PolarHBondContact O-N 3.48Å
277L93Very high93.9Very high119 Ų11954.4 Ų54.462%0.62329%0.288SS*.Hα-helixtrans-60.7-42.7174.8-71.4173000111.7D273 G275 S281D273-L277 WeakPolarHBondContact O-CG 3.26Å; D273-L277 PolarHBondContact O-N 3.14Å; D273-L277 VanDerWaalsContact O-N 3.14Å; G275-L277 PolarHBondContact O-N 3.47Å; L277-S281 WeakPolarHBondContact O-CB 3.31Å; L277-S281 PolarHBondContact O-N 3.07Å
278S95.5Very high93.8Very high47 Ų4754.2 Ų54.233%0.32929%0.287SS..Hα-helixtrans-68.1-46.7-178.7-56.90000112.1L274 G275 M276 S281 Y282L274-S278 WeakPolarHBondContact O-CB 3.45Å; L274-S278 PolarHBondContact O-N 3.38Å; L274-S278 VanDerWaalsContact O-N 3.11Å; L274-S278 PolarHBondContact O-OG 3.02Å; G275-S278 PolarHBondContact O-N 3.06Å; G275-S278 VanDerWaalsContact O-N 3.14Å; M276-S278 VanDerWaalsContact C-N 3.32Å; M276-S278 PolarHBondContact O-N 3.24Å; S278-S281 PolarHBondContact O-N 3.11Å; S278-Y282 WeakPolarHBondContact O-CB 3.48Å; S278-Y282 PolarHBondContact O-N 3.31Å
279Y97.7Very high93.9Very high1 Ų151.4 Ų51.40%0.00427%0.274CS..Hα-helixtrans-65.3-44.6177.8-88.4-81.7000112.1V232 I251 Y255 P267 L271 G275 S281 Y282 W283V232-Y279 WeakPolarHBondContact CG2-OH 3.48Å; I251-Y279 HydrophobicContact CB-CE1 4.32Å; I251-Y279 HydrophobicContact CD1-CD1 4.19Å; I251-Y279 HydrophobicContact CD1-CD2 3.76Å; I251-Y279 HydrophobicContact CD1-CE1 4.28Å; I251-Y279 HydrophobicContact CD1-CE2 3.85Å; I251-Y279 HydrophobicContact CD1-CG 3.93Å; I251-Y279 HydrophobicContact CG1-CD1 4.35Å; I251-Y279 HydrophobicContact CG1-CD2 4.24Å; I251-Y279 HydrophobicContact CG1-CE1 3.95Å; I251-Y279 HydrophobicContact CG1-CE2 3.83Å; I251-Y279 HydrophobicContact CG1-CG 4.48Å; I251-Y279 HydrophobicContact CG2-CD1 3.79Å; I251-Y279 HydrophobicContact CG2-CE1 3.53Å; Y255-Y279 HydrophobicContact CE2-CE1 4.1Å; P267-Y279 HydrophobicContact CB-CE1 4.04Å; P267-Y279 HydrophobicContact CB-CE2 3.9Å; P267-Y279 HydrophobicContact CG-CD1 3.89Å; P267-Y279 HydrophobicContact CG-CD2 4.18Å; P267-Y279 HydrophobicContact CG-CE1 3.58Å; P267-Y279 HydrophobicContact CG-CE2 3.9Å; P267-Y279 HydrophobicContact CG-CG 4.18Å; L271-Y279 HydrophobicContact CD1-CD2 3.97Å; L271-Y279 HydrophobicContact CD1-CG 4.2Å; L271-Y279 HydrophobicContact CD2-CD2 3.91Å; L271-Y279 HydrophobicContact CD2-CE2 3.98Å; G275-Y279 WeakPolarHBondContact O-CD2 3.2Å; G275-Y279 PolarHBondContact O-N 2.61Å; Y279-S281 VanDerWaalsContact C-N 3.31Å; Y279-S281 PolarHBondContact O-N 2.76Å; Y279-Y282 PolarHBondContact O-N 3.46Å; Y279-Y282 VanDerWaalsContact O-N 3.13Å; Y279-W283 AromaticContact CD1-CE2 3.74Å; Y279-W283 HydrophobicContact CD1-CH2 4.39Å; Y279-W283 AromaticContact CD1-CZ2 3.63Å; Y279-W283 HydrophobicContact CD1-CZ2 3.63Å; Y279-W283 AromaticContact CD1-NE1 3.89Å; Y279-W283 HydrophobicContact CE1-CZ2 4.45Å; Y279-W283 HydrophobicContact CG-CZ2 4.18Å; Y279-W283 VanDerWaalsContact O-CG 3.31Å; Y279-W283 PolarHBondContact O-N 2.7Å
280R95.7Very high94Very high116 Ų11647.6 Ų47.644%0.43826%0.259SS..Hα-helixtrans-58.7-43.7175.2-77.4-179.6171.9-173.9-2.7111.9M276 Y282 K284 L326M276-R280 VanDerWaalsContact O-CB 3.31Å; M276-R280 WeakPolarHBondContact O-CB 3.23Å; M276-R280 VanDerWaalsContact O-CG 3.29Å; M276-R280 WeakPolarHBondContact O-CG 3.29Å; M276-R280 PolarHBondContact O-N 3.48Å; R280-Y282 VanDerWaalsContact C-N 3.34Å; R280-K284 WeakPolarHBondContact O-CB 3.42Å; R280-K284 PolarHBondContact O-N 3.24Å; R280-L326 HydrophobicContact CG-CD2 4.28Å
281S94.2Very high94.2Very high77 Ų7742.3 Ų42.354%0.53823%0.225SC..Hα-helixtrans-63.2-41.2176.3-176.40000112L277 S278 Y279 Q285L277-S281 WeakPolarHBondContact O-CB 3.31Å; L277-S281 PolarHBondContact O-N 3.07Å; S278-S281 PolarHBondContact O-N 3.11Å; Y279-S281 VanDerWaalsContact C-N 3.31Å; Y279-S281 PolarHBondContact O-N 2.76Å; S281-Q285 WeakPolarHBondContact O-CB 3.38Å; S281-Q285 PolarHBondContact O-N 3.26Å
282Y96.5Very high94.3Very high2 Ų240.5 Ų40.51%0.00822%0.215CC..Hα-helixtrans-65.8-55.1177.9174.2-96000111.3R248 I251 E252 Y255 S278 Y279 R280 K284 Q285 T286R248-Y282 HydrophobicContact CG-CD2 4.25Å; I251-Y282 HydrophobicContact CB-CG 4.44Å; I251-Y282 HydrophobicContact CG2-CD1 3.44Å; I251-Y282 VanDerWaalsContact CG2-CD1 3.44Å; I251-Y282 HydrophobicContact CG2-CD2 4.04Å; I251-Y282 HydrophobicContact CG2-CE1 3.91Å; I251-Y282 HydrophobicContact CG2-CE2 4.45Å; I251-Y282 HydrophobicContact CG2-CG 3.52Å; E252-Y282 HydrophobicContact CB-CD2 4.35Å; E252-Y282 HydrophobicContact CB-CE2 3.62Å; E252-Y282 HydrophobicContact CG-CE2 3.99Å; Y255-Y282 HydrophobicContact CD2-CD1 4.11Å; Y255-Y282 AromaticContact CD2-CE1 3.29Å; Y255-Y282 HydrophobicContact CD2-CE1 3.29Å; Y255-Y282 AromaticContact CD2-CZ 3.83Å; Y255-Y282 HydrophobicContact CE2-CD1 4.09Å; Y255-Y282 AromaticContact CE2-CE1 3.64Å; Y255-Y282 HydrophobicContact CE2-CE1 3.64Å; Y255-Y282 HydrophobicContact CG-CE1 4.07Å; S278-Y282 WeakPolarHBondContact O-CB 3.48Å; S278-Y282 PolarHBondContact O-N 3.31Å; Y279-Y282 PolarHBondContact O-N 3.46Å; Y279-Y282 VanDerWaalsContact O-N 3.13Å; R280-Y282 VanDerWaalsContact C-N 3.34Å; Y282-K284 VanDerWaalsContact C-N 3.33Å; Y282-K284 PolarHBondContact O-N 2.77Å; Y282-Q285 PolarHBondContact O-N 3.25Å; Y282-Q285 VanDerWaalsContact O-N 3.1Å; Y282-T286 WeakPolarHBondContact O-CB 3.18Å; Y282-T286 PolarHBondContact O-N 3.42Å; Y282-T286 PolarHBondContact O-OG1 3.22Å; Y282-T286 VanDerWaalsContact O-OG1 3.12Å
283W98.1Very high94.3Very high20 Ų2040.5 Ų40.58%0.07621%0.211CC..Hα-helixtrans-58.3-44-179.7-63.5-33.5000112.3Y255 P267 Y279 Q285 T286 I287 I315 D319 T323Y255-W283 AromaticContact CE2-NE1 3.67Å; Y255-W283 AromaticContact CZ-NE1 3.57Å; Y255-W283 PolarHBondContact OH-NE1 3.3Å; P267-W283 HydrophobicContact CG-CZ2 4.26Å; Y279-W283 AromaticContact CD1-CE2 3.74Å; Y279-W283 HydrophobicContact CD1-CH2 4.39Å; Y279-W283 AromaticContact CD1-CZ2 3.63Å; Y279-W283 HydrophobicContact CD1-CZ2 3.63Å; Y279-W283 AromaticContact CD1-NE1 3.89Å; Y279-W283 HydrophobicContact CE1-CZ2 4.45Å; Y279-W283 HydrophobicContact CG-CZ2 4.18Å; Y279-W283 VanDerWaalsContact O-CG 3.31Å; Y279-W283 PolarHBondContact O-N 2.7Å; W283-Q285 VanDerWaalsContact C-N 3.33Å; W283-Q285 PolarHBondContact O-N 2.68Å; W283-T286 PolarHBondContact O-N 3.38Å; W283-I287 VanDerWaalsContact O-CB 3.31Å; W283-I287 WeakPolarHBondContact O-CB 3.29Å; W283-I287 WeakPolarHBondContact O-CG1 3.39Å; W283-I287 PolarHBondContact O-N 3.12Å; W283-I315 HydrophobicContact CG-CD1 4.38Å; W283-D319 HydrophobicContact CD2-CB 4.37Å; W283-D319 HydrophobicContact CE3-CB 4.42Å; W283-D319 HydrophobicContact CH2-CB 4.06Å; W283-D319 HydrophobicContact CZ2-CB 3.99Å; W283-D319 HydrophobicContact CZ3-CB 4.28Å; W283-T323 HydrophobicContact CB-CG2 4.02Å; W283-T323 WeakPolarHBondContact CB-OG1 3.4Å
284K95.9Very high94.4Very high99 Ų9938.5 Ų38.543%0.4320%0.2SC..Hα-helixtrans-52.9-53.1174.1160.7158.3-172.3178.70110.9R280 Y282 L288 T323 L327R280-K284 WeakPolarHBondContact O-CB 3.42Å; R280-K284 PolarHBondContact O-N 3.24Å; Y282-K284 VanDerWaalsContact C-N 3.33Å; Y282-K284 PolarHBondContact O-N 2.77Å; K284-L288 HydrophobicContact CG-CD1 3.94Å; K284-L288 VanDerWaalsContact O-CB 3.28Å; K284-L288 WeakPolarHBondContact O-CB 3.41Å; K284-L288 VanDerWaalsContact O-CG 3.23Å; K284-L288 WeakPolarHBondContact O-CG 3.4Å; K284-L288 PolarHBondContact O-N 2.81Å; K284-T323 HydrophobicContact CB-CG2 4.49Å; K284-L327 HydrophobicContact CB-CD2 4.35Å; K284-L327 HydrophobicContact CD-CD2 3.62Å; K284-L327 HydrophobicContact CG-CD2 3.75Å
285Q94.4Very high94.1Very high21 Ų2140.5 Ų40.510%0.09821%0.207CC..Hα-helixtrans-64.8-47.6-176.6-17760.831.100111.3S281 Y282 W283 L288 E289 W352S281-Q285 WeakPolarHBondContact O-CB 3.38Å; S281-Q285 PolarHBondContact O-N 3.26Å; Y282-Q285 PolarHBondContact O-N 3.25Å; Y282-Q285 VanDerWaalsContact O-N 3.1Å; W283-Q285 VanDerWaalsContact C-N 3.33Å; W283-Q285 PolarHBondContact O-N 2.68Å; Q285-L288 PolarHBondContact O-N 2.72Å; Q285-E289 VanDerWaalsContact CG-OE1 3.28Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.48Å; Q285-E289 PolarHBondContact NE2-OE1 3.06Å; Q285-E289 WeakPolarHBondContact O-CB 3.4Å; Q285-E289 WeakPolarHBondContact O-CG 3.44Å; Q285-E289 PolarHBondContact O-N 2.95Å; Q285-W352 HydrophobicContact CG-CD2 4.13Å; Q285-W352 HydrophobicContact CG-CE3 4.38Å; Q285-W352 HydrophobicContact CG-CH2 4.3Å; Q285-W352 HydrophobicContact CG-CZ2 4.16Å; Q285-W352 HydrophobicContact CG-CZ3 4.46Å; Q285-W352 VanDerWaalsContact NE2-CD2 3.32Å; Q285-W352 VanDerWaalsContact NE2-CE3 3.32Å
286T96.1Very high93.6Very high12 Ų1245.5 Ų45.57%0.07423%0.226CC..Hα-helixtrans-64.3-42.5-177.7-61.40000112.3Y282 W283 V290 T313 I315Y282-T286 WeakPolarHBondContact O-CB 3.18Å; Y282-T286 PolarHBondContact O-N 3.42Å; Y282-T286 PolarHBondContact O-OG1 3.22Å; Y282-T286 VanDerWaalsContact O-OG1 3.12Å; W283-T286 PolarHBondContact O-N 3.38Å; T286-V290 WeakPolarHBondContact O-CG2 3.19Å; T286-V290 PolarHBondContact O-N 3.45Å; T286-T313 HydrophobicContact CG2-CG2 3.7Å; T286-I315 HydrophobicContact CG2-CD1 4.19Å
287I97.2Very high93.2Very high0 Ų048.7 Ų48.70%024%0.241CC..Hα-helixtrans-70.9-42.2178.7-68.7169000110.4W283 E289 V290 L291 I309 I315 V320 T323 L324W283-I287 VanDerWaalsContact O-CB 3.31Å; W283-I287 WeakPolarHBondContact O-CB 3.29Å; W283-I287 WeakPolarHBondContact O-CG1 3.39Å; W283-I287 PolarHBondContact O-N 3.12Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.1Å; I287-V290 PolarHBondContact O-N 3.16Å; I287-L291 HydrophobicContact CG2-CD1 4.23Å; I287-L291 HydrophobicContact CG2-CG 4.46Å; I287-L291 WeakPolarHBondContact O-CG 3.4Å; I287-L291 PolarHBondContact O-N 3.03Å; I287-L291 VanDerWaalsContact O-N 3.08Å; I287-I309 HydrophobicContact CG1-CG2 4.06Å; I287-I309 HydrophobicContact CG2-CG2 4.43Å; I287-I315 HydrophobicContact CD1-CD1 4.4Å; I287-I315 HydrophobicContact CG1-CD1 4.25Å; I287-V320 HydrophobicContact CD1-CB 4.32Å; I287-V320 HydrophobicContact CD1-CG1 4.23Å; I287-V320 HydrophobicContact CD1-CG2 4.22Å; I287-T323 HydrophobicContact CD1-CG2 3.75Å; I287-L324 HydrophobicContact CG2-CD2 3.71Å; I287-L324 HydrophobicContact CG2-CG 4.36Å
288L95.1Very high92.5Very high0 Ų045 Ų450%022%0.224CC..Hα-helixtrans-61.3-40.3175.1-75.4176.5000112.1K284 Q285 V290 L291 V292 L327 M345 V349K284-L288 HydrophobicContact CG-CD1 3.94Å; K284-L288 VanDerWaalsContact O-CB 3.28Å; K284-L288 WeakPolarHBondContact O-CB 3.41Å; K284-L288 VanDerWaalsContact O-CG 3.23Å; K284-L288 WeakPolarHBondContact O-CG 3.4Å; K284-L288 PolarHBondContact O-N 2.81Å; Q285-L288 PolarHBondContact O-N 2.72Å; L288-V290 VanDerWaalsContact C-N 3.33Å; L288-V290 PolarHBondContact O-N 2.92Å; L288-L291 PolarHBondContact O-N 2.82Å; L288-V292 WeakPolarHBondContact O-CB 3.47Å; L288-V292 VanDerWaalsContact O-CG2 3.26Å; L288-V292 WeakPolarHBondContact O-CG2 3.43Å; L288-V292 PolarHBondContact O-N 3.1Å; L288-L327 HydrophobicContact CD1-CD2 4.07Å; L288-L327 HydrophobicContact CD2-CD1 4Å; L288-L327 HydrophobicContact CD2-CD2 4.5Å; L288-L327 HydrophobicContact CG-CD1 3.97Å; L288-L327 HydrophobicContact CG-CD2 4.32Å; L288-M345 HydrophobicContact CD2-CB 4.28Å; L288-M345 HydrophobicContact CD2-SD 3.91Å; L288-V349 HydrophobicContact CB-CG2 3.68Å
289E94.3Very high91.2Very high22 Ų2252.6 Ų52.610%0.10326%0.255CS..Hα-helixtrans-57.4-44.1174.1-82.8168.6-153.900112.4Q285 I287 N293 V349 W352 R359Q285-E289 VanDerWaalsContact CG-OE1 3.28Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.48Å; Q285-E289 PolarHBondContact NE2-OE1 3.06Å; Q285-E289 WeakPolarHBondContact O-CB 3.4Å; Q285-E289 WeakPolarHBondContact O-CG 3.44Å; Q285-E289 PolarHBondContact O-N 2.95Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.1Å; E289-N293 VanDerWaalsContact O-CB 3.31Å; E289-N293 WeakPolarHBondContact O-CB 3.47Å; E289-N293 PolarHBondContact O-N 3.36Å; E289-N293 PolarHBondContact O-ND2 2.89Å; E289-V349 HydrophobicContact CG-CG1 3.79Å; E289-W352 WeakPolarHBondContact OE1-CH2 3.42Å; E289-W352 WeakPolarHBondContact OE1-CZ3 3.42Å; E289-R359 IonicContact OE2-NH1 3.8Å; E289-R359 IonicContact OE2-NH2 2.82Å
290V94.8Very high90.2Very high24 Ų2458.8 Ų58.815%0.14529%0.288CS..Hα-helixtrans-61.3-46.3177.2170.40000111.1T286 I287 L288 L294 I304 K312 T313T286-V290 WeakPolarHBondContact O-CG2 3.19Å; T286-V290 PolarHBondContact O-N 3.45Å; I287-V290 PolarHBondContact O-N 3.16Å; L288-V290 VanDerWaalsContact C-N 3.33Å; L288-V290 PolarHBondContact O-N 2.92Å; V290-L294 WeakPolarHBondContact O-CB 3.44Å; V290-L294 PolarHBondContact O-N 3.5Å; V290-I304 HydrophobicContact CG1-CD1 3.99Å; V290-K312 HydrophobicContact CG1-CD 3.85Å; V290-K312 HydrophobicContact CG2-CB 4.39Å; V290-T313 HydrophobicContact CG2-CG2 3.67Å
291L93.2Very high89.1Confident5 Ų561.4 Ų61.43%0.02631%0.305CS..Hα-helixtrans-68.6-41.7-177.5-63.2179000112.5I287 L288 L294 E295 I304 I309 L324 L339 I341I287-L291 HydrophobicContact CG2-CD1 4.23Å; I287-L291 HydrophobicContact CG2-CG 4.46Å; I287-L291 WeakPolarHBondContact O-CG 3.4Å; I287-L291 PolarHBondContact O-N 3.03Å; I287-L291 VanDerWaalsContact O-N 3.08Å; L288-L291 PolarHBondContact O-N 2.82Å; L291-L294 PolarHBondContact O-N 3.49Å; L291-E295 PolarHBondContact O-N 3.42Å; L291-I304 HydrophobicContact CD2-CD1 4.48Å; L291-I304 HydrophobicContact CD2-CG2 4.15Å; L291-I309 HydrophobicContact CD2-CD1 4.14Å; L291-L324 HydrophobicContact CD1-CD2 4.04Å; L291-L339 HydrophobicContact CD1-CD1 4.39Å; L291-L339 HydrophobicContact CD2-CD1 3.7Å; L291-I341 HydrophobicContact CB-CD1 3.51Å; L291-I341 HydrophobicContact CD1-CD1 4.1Å; L291-I341 HydrophobicContact CG-CD1 4.37Å
292V91.7Very high88.7Confident2 Ų259.6 Ų59.61%0.01229%0.291CS..Hα-helixtrans-67.6-39.1178.5171.90000111.4L288 L294 E295 K296 I346 V349L288-V292 WeakPolarHBondContact O-CB 3.47Å; L288-V292 VanDerWaalsContact O-CG2 3.26Å; L288-V292 WeakPolarHBondContact O-CG2 3.43Å; L288-V292 PolarHBondContact O-N 3.1Å; V292-L294 VanDerWaalsContact C-N 3.35Å; V292-E295 PolarHBondContact O-N 2.68Å; V292-K296 HydrophobicContact CG1-CD 4.49Å; V292-K296 WeakPolarHBondContact O-CG 3.34Å; V292-K296 PolarHBondContact O-N 3.35Å; V292-I346 HydrophobicContact CG1-CG2 4.16Å; V292-I346 HydrophobicContact CG2-CG1 4.07Å; V292-V349 HydrophobicContact CB-CG1 4.26Å; V292-V349 HydrophobicContact CG1-CG1 4.25Å; V292-V349 HydrophobicContact CG2-CB 4.21Å; V292-V349 HydrophobicContact CG2-CG1 4.42Å; V292-V349 HydrophobicContact CG2-CG2 4.02Å
293N91.1Very high88.3Confident57 Ų5768.4 Ų68.431%0.30533%0.333SS..Hα-helixtrans-68.2-36.8176.9-69.3-10.3000111.5E289 E295 K296 E297 Q353E289-N293 VanDerWaalsContact O-CB 3.31Å; E289-N293 WeakPolarHBondContact O-CB 3.47Å; E289-N293 PolarHBondContact O-N 3.36Å; E289-N293 PolarHBondContact O-ND2 2.89Å; N293-E295 PolarHBondContact O-N 3.37Å; N293-K296 PolarHBondContact O-N 3.13Å; N293-K296 VanDerWaalsContact O-N 3.16Å; N293-E297 WeakPolarHBondContact O-CG 3.39Å; N293-E297 PolarHBondContact O-N 3.22Å; N293-Q353 PolarHBondContact OD1-NE2 3.38Å
294L90Very high88.1Confident29 Ų2969.4 Ų69.415%0.15234%0.339CS..Hα-helixtrans-61.4-43.2176.2-178.272000112.2V290 L291 V292 K296 E297 S298 P302 I304V290-L294 WeakPolarHBondContact O-CB 3.44Å; V290-L294 PolarHBondContact O-N 3.5Å; L291-L294 PolarHBondContact O-N 3.49Å; V292-L294 VanDerWaalsContact C-N 3.35Å; L294-K296 PolarHBondContact O-N 2.9Å; L294-E297 PolarHBondContact O-N 3.21Å; L294-S298 PolarHBondContact O-N 2.93Å; L294-S298 PolarHBondContact O-OG 2.97Å; L294-P302 HydrophobicContact CD1-CB 4.22Å; L294-P302 HydrophobicContact CD2-CB 3.8Å; L294-P302 HydrophobicContact CD2-CG 4.35Å; L294-P302 HydrophobicContact CG-CB 3.66Å; L294-P302 HydrophobicContact CG-CG 4.22Å; L294-I304 HydrophobicContact CD2-CB 3.64Å; L294-I304 HydrophobicContact CD2-CD1 3.99Å; L294-I304 HydrophobicContact CD2-CG1 4.31Å; L294-I304 HydrophobicContact CD2-CG2 3.89Å
295E84.6Confident88Confident111 Ų11167.1 Ų67.152%0.51934%0.335SS..Hα-helixtrans-62.9-31.5175.8-17366.3-177.700112.1L291 V292 N293 P302L291-E295 PolarHBondContact O-N 3.42Å; V292-E295 PolarHBondContact O-N 2.68Å; N293-E295 PolarHBondContact O-N 3.37Å; E295-P302 VanDerWaalsContact OE2-CG 3.32Å; E295-P302 WeakPolarHBondContact OE2-CG 3.29Å
296K83.5Confident88Confident114 Ų11468 Ų6850%0.49634%0.342SS..Hα-helixtrans-77.5-30.4176.8-71.2178178.7-172.20113.3V292 N293 L294 E350V292-K296 HydrophobicContact CG1-CD 4.49Å; V292-K296 WeakPolarHBondContact O-CG 3.34Å; V292-K296 PolarHBondContact O-N 3.35Å; N293-K296 PolarHBondContact O-N 3.13Å; N293-K296 VanDerWaalsContact O-N 3.16Å; L294-K296 PolarHBondContact O-N 2.9Å; K296-E350 WeakPolarHBondContact CE-OE1 3.43Å; K296-E350 IonicContact NZ-OE1 3.78Å; K296-E350 PolarHBondContact NZ-OE1 3.35Å
297E84.4Confident88.1Confident145 Ų14571.9 Ų71.968%0.67836%0.361SS*.Hα-helixtrans-81.6-21.1-178.5-73.7171-167.800112.8N293 L294N293-E297 WeakPolarHBondContact O-CG 3.39Å; N293-E297 PolarHBondContact O-N 3.22Å; L294-E297 PolarHBondContact O-N 3.21Å
298S78Confident88Confident40 Ų4075.1 Ų75.128%0.2838%0.378SS..  trans-118.1128.4-172.6-48.60000111L294L294-S298 PolarHBondContact O-N 2.93Å; L294-S298 PolarHBondContact O-OG 2.97Å
299E69.1Low88.2Confident207 Ų20775.2 Ų75.297%0.96738%0.378SS*.SBendtrans-78.6-25.7179.6-67.5-175.6170.400113.2
300D76.1Confident88.3Confident132 Ų13274.2 Ų74.271%0.70637%0.374SS*.SBendtrans-135.6122.5-171.9-147.1-8.6000111
301H73.7Confident88.5Confident171 Ų17178.2 Ų78.279%0.79239%0.394SS*.  trans17.177.5177.7-68.9-60.4000116.2Q303H301-Q303 PolarHBondContact O-N 3.22Å
302P85.6Confident88.6Confident38 Ų3883.7 Ų83.725%0.24742%0.418CS..  trans-61.7136.9-177.722.4-31.4000112L294 E295L294-P302 HydrophobicContact CD1-CB 4.22Å; L294-P302 HydrophobicContact CD2-CB 3.8Å; L294-P302 HydrophobicContact CD2-CG 4.35Å; L294-P302 HydrophobicContact CG-CB 3.66Å; L294-P302 HydrophobicContact CG-CG 4.22Å; E295-P302 VanDerWaalsContact OE2-CG 3.32Å; E295-P302 WeakPolarHBondContact OE2-CG 3.29Å
303Q88Confident88.9Confident188 Ų18883.7 Ų83.788%0.87942%0.418SS*.  trans-99.7135172.4-64.9-173.2-7.900110.1H301H301-Q303 PolarHBondContact O-N 3.22Å
304I93.1Very high89.2Confident40 Ų4081.3 Ų81.321%0.20541%0.406CS..  trans-141.2134.1174-168.3168000110V290 L291 L294 D308 I309 L339V290-I304 HydrophobicContact CG1-CD1 3.99Å; L291-I304 HydrophobicContact CD2-CD1 4.48Å; L291-I304 HydrophobicContact CD2-CG2 4.15Å; L294-I304 HydrophobicContact CD2-CB 3.64Å; L294-I304 HydrophobicContact CD2-CD1 3.99Å; L294-I304 HydrophobicContact CD2-CG1 4.31Å; L294-I304 HydrophobicContact CD2-CG2 3.89Å; I304-D308 HydrophobicContact CD1-CB 4.26Å; I304-D308 HydrophobicContact CG1-CB 3.69Å; I304-I309 HydrophobicContact CD1-CD1 4.32Å; I304-I309 HydrophobicContact CD1-CG1 3.53Å; I304-I309 HydrophobicContact CG1-CG1 4.02Å; I304-L339 HydrophobicContact CG2-CD1 3.86Å
305S94.2Very high89.7Confident51 Ų5180 Ų8036%0.35740%0.399SS..  trans-89.7158.3170.876.80000110.9M307 D308 I309S305-M307 PolarHBondContact O-N 3.43Å; S305-M307 PolarHBondContact OG-N 2.92Å; S305-D308 WeakPolarHBondContact CA-OD2 3.16Å; S305-D308 VanDerWaalsContact CB-OD2 3.27Å; S305-D308 WeakPolarHBondContact CB-OD2 3.32Å; S305-D308 PolarHBondContact N-OD2 2.95Å; S305-D308 WeakPolarHBondContact O-CB 3.22Å; S305-D308 PolarHBondContact O-N 3.44Å; S305-D308 PolarHBondContact OG-N 3.38Å; S305-D308 VanDerWaalsContact OG-N 3.08Å; S305-D308 PolarHBondContact OG-OD2 2.91Å; S305-I309 PolarHBondContact O-N 3.08Å
306V95.3Very high90.3Very high40 Ų4076.4 Ų76.424%0.24238%0.381CS..Hα-helixtrans-57.3-33.4171.3178.70000111I309 C310 K317 V320 L321V306-I309 PolarHBondContact O-N 3.07Å; V306-C310 PolarHBondContact O-N 3.19Å; V306-C310 PolarHBondContact O-SG 3.47Å; V306-K317 HydrophobicContact CG1-CG 3.86Å; V306-V320 HydrophobicContact CG1-CB 4.31Å; V306-V320 HydrophobicContact CG1-CG1 3.91Å; V306-L321 HydrophobicContact CG1-CD2 4.15Å; V306-L321 HydrophobicContact CG1-CG 4.12Å; V306-L321 HydrophobicContact CG2-CD2 3.82Å
307M97Very high90.9Very high94 Ų9476.5 Ų76.546%0.46338%0.382SS..Hα-helixtrans-68.7-34.4177.7-66.4-54.4-59.500112.3S305 I309 C310 N311 K317S305-M307 PolarHBondContact O-N 3.43Å; S305-M307 PolarHBondContact OG-N 2.92Å; M307-I309 VanDerWaalsContact C-N 3.32Å; M307-I309 PolarHBondContact O-N 3.49Å; M307-C310 WeakPolarHBondContact O-CB 3.44Å; M307-C310 PolarHBondContact O-N 3.29Å; M307-N311 WeakPolarHBondContact O-CB 3.32Å; M307-N311 PolarHBondContact O-N 3Å; M307-N311 PolarHBondContact O-ND2 3Å; M307-K317 HydrophobicContact SD-CD 4.32Å
308D96.4Very high91.5Very high68 Ų6875.7 Ų75.736%0.36438%0.378SS..Hα-helixtrans-64.3-39.6174.8-59.9-44.6000111.3I304 S305 N311 K312I304-D308 HydrophobicContact CD1-CB 4.26Å; I304-D308 HydrophobicContact CG1-CB 3.69Å; S305-D308 WeakPolarHBondContact CA-OD2 3.16Å; S305-D308 VanDerWaalsContact CB-OD2 3.27Å; S305-D308 WeakPolarHBondContact CB-OD2 3.32Å; S305-D308 PolarHBondContact N-OD2 2.95Å; S305-D308 WeakPolarHBondContact O-CB 3.22Å; S305-D308 PolarHBondContact O-N 3.44Å; S305-D308 PolarHBondContact OG-N 3.38Å; S305-D308 VanDerWaalsContact OG-N 3.08Å; S305-D308 PolarHBondContact OG-OD2 2.91Å; D308-N311 PolarHBondContact O-N 3.42Å; D308-K312 WeakPolarHBondContact O-CB 3.36Å; D308-K312 WeakPolarHBondContact O-CG 3.47Å; D308-K312 PolarHBondContact O-N 2.66Å
309I97.5Very high92.4Very high2 Ų274.3 Ų74.31%0.0137%0.367CS..Hα-helixtrans-63.5-44.8173-57.4173.2000110I287 L291 I304 S305 V306 M307 N311 K312 T313 V320 L324I287-I309 HydrophobicContact CG1-CG2 4.06Å; I287-I309 HydrophobicContact CG2-CG2 4.43Å; L291-I309 HydrophobicContact CD2-CD1 4.14Å; I304-I309 HydrophobicContact CD1-CD1 4.32Å; I304-I309 HydrophobicContact CD1-CG1 3.53Å; I304-I309 HydrophobicContact CG1-CG1 4.02Å; S305-I309 PolarHBondContact O-N 3.08Å; V306-I309 PolarHBondContact O-N 3.07Å; M307-I309 VanDerWaalsContact C-N 3.32Å; M307-I309 PolarHBondContact O-N 3.49Å; I309-N311 VanDerWaalsContact C-N 3.33Å; I309-N311 PolarHBondContact O-N 3.37Å; I309-K312 PolarHBondContact O-N 3.29Å; I309-T313 HydrophobicContact CG2-CG2 4.19Å; I309-T313 WeakPolarHBondContact O-CB 3.49Å; I309-T313 WeakPolarHBondContact O-CG2 3.47Å; I309-T313 PolarHBondContact O-N 3.35Å; I309-T313 PolarHBondContact O-OG1 2.84Å; I309-V320 HydrophobicContact CB-CG1 4.05Å; I309-V320 HydrophobicContact CD1-CG1 4.2Å; I309-V320 HydrophobicContact CG2-CG1 3.73Å; I309-V320 HydrophobicContact CG2-CG2 4.08Å; I309-L324 HydrophobicContact CD1-CD1 4.18Å
310C98.2Very high93.8Very high1 Ų164.4 Ų64.41%0.00732%0.321CS..Hα-helixtrans-58.1-45.2176.4-62.80000111.4V264 V306 M307 T313 S314 I315 K317V264-C310 HydrophobicContact CG1-CB 4.12Å; V306-C310 PolarHBondContact O-N 3.19Å; V306-C310 PolarHBondContact O-SG 3.47Å; M307-C310 WeakPolarHBondContact O-CB 3.44Å; M307-C310 PolarHBondContact O-N 3.29Å; C310-T313 PolarHBondContact O-N 3.23Å; C310-S314 WeakPolarHBondContact O-CA 3.47Å; C310-S314 PolarHBondContact O-N 2.88Å; C310-I315 WeakPolarHBondContact CA-O 3.28Å; C310-I315 WeakPolarHBondContact CB-O 3.46Å; C310-I315 PolarHBondContact SG-O 2.77Å; C310-K317 VanDerWaalsContact SG-CA 3.52Å
311N97.1Very high94.8Very high108 Ų10861 Ų6158%0.57830%0.302SS*.Hα-helixtrans-67.7-38.8-178.7-68-20.7000112.4M307 D308 I309M307-N311 WeakPolarHBondContact O-CB 3.32Å; M307-N311 PolarHBondContact O-N 3Å; M307-N311 PolarHBondContact O-ND2 3Å; D308-N311 PolarHBondContact O-N 3.42Å; I309-N311 VanDerWaalsContact C-N 3.33Å; I309-N311 PolarHBondContact O-N 3.37Å
312K96.3Very high95.9Very high120 Ų12055.2 Ų55.252%0.52228%0.284SS..Hα-helixtrans-72.2-32.3177.7-74.4176-177.4-850112.8V290 D308 I309V290-K312 HydrophobicContact CG1-CD 3.85Å; V290-K312 HydrophobicContact CG2-CB 4.39Å; D308-K312 WeakPolarHBondContact O-CB 3.36Å; D308-K312 WeakPolarHBondContact O-CG 3.47Å; D308-K312 PolarHBondContact O-N 2.66Å; I309-K312 PolarHBondContact O-N 3.29Å
313T98Very high96.4Very high2 Ų253.6 Ų53.61%0.01227%0.274CS..Hα-helixtrans-106.5-15.8-170.864.30000114.2T286 V290 I309 C310 I315T286-T313 HydrophobicContact CG2-CG2 3.7Å; V290-T313 HydrophobicContact CG2-CG2 3.67Å; I309-T313 HydrophobicContact CG2-CG2 4.19Å; I309-T313 WeakPolarHBondContact O-CB 3.49Å; I309-T313 WeakPolarHBondContact O-CG2 3.47Å; I309-T313 PolarHBondContact O-N 3.35Å; I309-T313 PolarHBondContact O-OG1 2.84Å; C310-T313 PolarHBondContact O-N 3.23Å; T313-I315 HydrophobicContact CG2-CD1 4.36Å; T313-I315 PolarHBondContact O-N 3.41Å; T313-I315 WeakPolarHBondContact OG1-CB 3.47Å; T313-I315 WeakPolarHBondContact OG1-CG1 3.49Å; T313-I315 PolarHBondContact OG1-N 3.42Å
314S98.3Very high96.8Very high7 Ų744.8 Ų44.85%0.04923%0.233CC..  trans56.619-165.7-69.30000114.2Y255 K259 K263 V264 G265 C310Y255-S314 WeakPolarHBondContact CE1-O 3.39Å; K259-S314 WeakPolarHBondContact CA-OG 3.21Å; K259-S314 WeakPolarHBondContact CG-OG 2.81Å; K259-S314 PolarHBondContact N-OG 3.43Å; K263-S314 WeakPolarHBondContact O-CB 3.27Å; K263-S314 PolarHBondContact O-OG 3.41Å; V264-S314 CarbonylContact C-O 3.48Å; V264-S314 VanDerWaalsContact CA-O 3.27Å; V264-S314 WeakPolarHBondContact CA-O 3.47Å; G265-S314 PolarHBondContact N-O 2.91Å; C310-S314 WeakPolarHBondContact O-CA 3.47Å; C310-S314 PolarHBondContact O-N 2.88Å
315I98.6Very high96.9Very high0 Ų048.9 Ų48.90%025%0.251CS..BIsolated β-bridgetrans-83.2137.3174.5-59.5167000109.1Y255 W283 T286 I287 C310 T313 D319 V320Y255-I315 HydrophobicContact CD1-CG1 4.12Å; Y255-I315 HydrophobicContact CE1-CB 4.23Å; Y255-I315 HydrophobicContact CE1-CG1 3.68Å; W283-I315 HydrophobicContact CG-CD1 4.38Å; T286-I315 HydrophobicContact CG2-CD1 4.19Å; I287-I315 HydrophobicContact CD1-CD1 4.4Å; I287-I315 HydrophobicContact CG1-CD1 4.25Å; C310-I315 WeakPolarHBondContact CA-O 3.28Å; C310-I315 WeakPolarHBondContact CB-O 3.46Å; C310-I315 PolarHBondContact SG-O 2.77Å; T313-I315 HydrophobicContact CG2-CD1 4.36Å; T313-I315 PolarHBondContact O-N 3.41Å; T313-I315 WeakPolarHBondContact OG1-CB 3.47Å; T313-I315 WeakPolarHBondContact OG1-CG1 3.49Å; T313-I315 PolarHBondContact OG1-N 3.42Å; I315-D319 HydrophobicContact CG2-CB 3.65Å; I315-V320 HydrophobicContact CB-CG2 3.85Å; I315-V320 HydrophobicContact CG2-CG2 3.71Å
316K97.5Very high96.8Very high36 Ų3651.2 Ų51.216%0.15726%0.259CS..  trans-61.2146.3174.4-76.3-160.8-174.9-167.90111.9E228 V264 G265 T266 E318 D319 V320E228-K316 PolarHBondContact O-NZ 2.89Å; V264-K316 HydrophobicContact CB-CG 4.31Å; V264-K316 HydrophobicContact CG2-CG 4.1Å; G265-K316 PolarHBondContact O-N 3.21Å; T266-K316 HydrophobicContact CG2-CD 3.64Å; T266-K316 HydrophobicContact CG2-CG 4.32Å; K316-E318 VanDerWaalsContact C-N 3.27Å; K316-E318 PolarHBondContact O-N 3.42Å; K316-E318 VanDerWaalsContact O-N 3.16Å; K316-D319 PolarHBondContact O-N 2.66Å; K316-V320 PolarHBondContact O-N 2.98Å
317K97.4Very high96.6Very high116 Ų11649.9 Ų49.950%0.50425%0.251SS..Hα-helixtrans-48.9-43.8-179.9-179178.4178.1-178.90113.7V306 M307 C310 D319 V320 L321V306-K317 HydrophobicContact CG1-CG 3.86Å; M307-K317 HydrophobicContact SD-CD 4.32Å; C310-K317 VanDerWaalsContact SG-CA 3.52Å; K317-D319 PolarHBondContact O-N 3.2Å; K317-V320 PolarHBondContact O-N 2.91Å; K317-L321 HydrophobicContact CG-CD1 4Å; K317-L321 HydrophobicContact CG-CG 4.42Å; K317-L321 WeakPolarHBondContact O-CB 3.38Å; K317-L321 WeakPolarHBondContact O-CG 3.34Å; K317-L321 PolarHBondContact O-N 2.88Å
318E96.6Very high96.4Very high128 Ų12851.8 Ų51.860%0.59826%0.263SS*.Hα-helixtrans-59.6-46.1179.2-67.7171.1-153.700112.4K269 K316 L321 A322K269-E318 IonicContact NZ-OE2 3.89Å; K316-E318 VanDerWaalsContact C-N 3.27Å; K316-E318 PolarHBondContact O-N 3.42Å; K316-E318 VanDerWaalsContact O-N 3.16Å; E318-L321 PolarHBondContact O-N 2.87Å; E318-A322 VanDerWaalsContact O-CB 3.29Å; E318-A322 WeakPolarHBondContact O-CB 3.31Å; E318-A322 PolarHBondContact O-N 3.42Å
319D97.5Very high96.1Very high11 Ų1148.6 Ų48.66%0.05925%0.246CC..Hα-helixtrans-71.9-33.9-178.8-59.5-42.7000111T266 W283 I315 K316 K317 T323T266-D319 WeakPolarHBondContact CB-OD2 3.31Å; T266-D319 PolarHBondContact OG1-OD2 3.01Å; W283-D319 HydrophobicContact CD2-CB 4.37Å; W283-D319 HydrophobicContact CE3-CB 4.42Å; W283-D319 HydrophobicContact CH2-CB 4.06Å; W283-D319 HydrophobicContact CZ2-CB 3.99Å; W283-D319 HydrophobicContact CZ3-CB 4.28Å; I315-D319 HydrophobicContact CG2-CB 3.65Å; K316-D319 PolarHBondContact O-N 2.66Å; K317-D319 PolarHBondContact O-N 3.2Å; D319-T323 VanDerWaalsContact O-CB 3.22Å; D319-T323 WeakPolarHBondContact O-CB 3.44Å; D319-T323 PolarHBondContact O-N 2.93Å; D319-T323 PolarHBondContact O-OG1 2.89Å
320V98.2Very high95.8Very high0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-61.3-52.4171.4175.10000110.4I287 V306 I309 I315 K316 K317 A322 T323 L324I287-V320 HydrophobicContact CD1-CB 4.32Å; I287-V320 HydrophobicContact CD1-CG1 4.23Å; I287-V320 HydrophobicContact CD1-CG2 4.22Å; V306-V320 HydrophobicContact CG1-CB 4.31Å; V306-V320 HydrophobicContact CG1-CG1 3.91Å; I309-V320 HydrophobicContact CB-CG1 4.05Å; I309-V320 HydrophobicContact CD1-CG1 4.2Å; I309-V320 HydrophobicContact CG2-CG1 3.73Å; I309-V320 HydrophobicContact CG2-CG2 4.08Å; I315-V320 HydrophobicContact CB-CG2 3.85Å; I315-V320 HydrophobicContact CG2-CG2 3.71Å; K316-V320 PolarHBondContact O-N 2.98Å; K317-V320 PolarHBondContact O-N 2.91Å; V320-A322 PolarHBondContact O-N 3.27Å; V320-T323 PolarHBondContact O-N 3Å; V320-L324 HydrophobicContact CG1-CD1 3.87Å; V320-L324 HydrophobicContact CG1-CG 4.32Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.19Å; V320-L324 PolarHBondContact O-N 3.3Å
321L96.7Very high95.5Very high59 Ų5955.6 Ų55.631%0.30928%0.279SS..Hα-helixtrans-59.7-48.2179.2-73.9172.4000111.7V306 K317 E318 T323 L324 Q325V306-L321 HydrophobicContact CG1-CD2 4.15Å; V306-L321 HydrophobicContact CG1-CG 4.12Å; V306-L321 HydrophobicContact CG2-CD2 3.82Å; K317-L321 HydrophobicContact CG-CD1 4Å; K317-L321 HydrophobicContact CG-CG 4.42Å; K317-L321 WeakPolarHBondContact O-CB 3.38Å; K317-L321 WeakPolarHBondContact O-CG 3.34Å; K317-L321 PolarHBondContact O-N 2.88Å; E318-L321 PolarHBondContact O-N 2.87Å; L321-T323 VanDerWaalsContact C-N 3.26Å; L321-T323 PolarHBondContact O-N 3.41Å; L321-L324 PolarHBondContact O-N 2.88Å; L321-Q325 WeakPolarHBondContact O-CB 3.23Å; L321-Q325 VanDerWaalsContact O-CG 3.3Å; L321-Q325 WeakPolarHBondContact O-CG 3.28Å; L321-Q325 PolarHBondContact O-N 3.18Å
322A95.8Very high95.1Very high50 Ų5057.7 Ų57.741%0.41328%0.28SS..Hα-helixtrans-61.5-36.5178.100000111.9E318 V320 L326E318-A322 VanDerWaalsContact O-CB 3.29Å; E318-A322 WeakPolarHBondContact O-CB 3.31Å; E318-A322 PolarHBondContact O-N 3.42Å; V320-A322 PolarHBondContact O-N 3.27Å; A322-L326 VanDerWaalsContact O-CB 3.32Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 PolarHBondContact O-N 3.42Å
323T97.5Very high94.8Very high5 Ų558.1 Ų58.13%0.03128%0.28CS..Hα-helixtrans-71.6-43.8177.2-57.80000111.7W283 K284 I287 D319 V320 L321 Q325 L326 L327W283-T323 HydrophobicContact CB-CG2 4.02Å; W283-T323 WeakPolarHBondContact CB-OG1 3.4Å; K284-T323 HydrophobicContact CB-CG2 4.49Å; I287-T323 HydrophobicContact CD1-CG2 3.75Å; D319-T323 VanDerWaalsContact O-CB 3.22Å; D319-T323 WeakPolarHBondContact O-CB 3.44Å; D319-T323 PolarHBondContact O-N 2.93Å; D319-T323 PolarHBondContact O-OG1 2.89Å; V320-T323 PolarHBondContact O-N 3Å; L321-T323 VanDerWaalsContact C-N 3.26Å; L321-T323 PolarHBondContact O-N 3.41Å; T323-Q325 VanDerWaalsContact C-N 3.29Å; T323-Q325 PolarHBondContact O-N 3.28Å; T323-L326 PolarHBondContact O-N 2.8Å; T323-L327 HydrophobicContact CG2-CD1 4.08Å; T323-L327 HydrophobicContact CG2-CG 4.37Å; T323-L327 WeakPolarHBondContact O-CB 3.24Å; T323-L327 VanDerWaalsContact O-CG 3.24Å; T323-L327 WeakPolarHBondContact O-CG 3.43Å; T323-L327 PolarHBondContact O-N 2.79Å
324L96.3Very high94.4Very high3 Ų365.4 Ų65.42%0.01631%0.311CS..Hα-helixtrans-61.5-38.9175.9-70.6171.5000111.8I287 L291 I309 V320 L321 L327 N328 V329 I330 L339I287-L324 HydrophobicContact CG2-CD2 3.71Å; I287-L324 HydrophobicContact CG2-CG 4.36Å; L291-L324 HydrophobicContact CD1-CD2 4.04Å; I309-L324 HydrophobicContact CD1-CD1 4.18Å; V320-L324 HydrophobicContact CG1-CD1 3.87Å; V320-L324 HydrophobicContact CG1-CG 4.32Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.19Å; V320-L324 PolarHBondContact O-N 3.3Å; L321-L324 PolarHBondContact O-N 2.88Å; L324-L327 PolarHBondContact O-N 3.31Å; L324-N328 PolarHBondContact O-N 3.31Å; L324-V329 HydrophobicContact CB-CG2 4.25Å; L324-V329 HydrophobicContact CD2-CG2 3.69Å; L324-V329 WeakPolarHBondContact O-CG2 3.49Å; L324-V329 PolarHBondContact O-N 3.37Å; L324-I330 HydrophobicContact CB-CD1 3.45Å; L324-I330 VanDerWaalsContact CB-CD1 3.45Å; L324-I330 HydrophobicContact CB-CG1 3.87Å; L324-I330 HydrophobicContact CD1-CD1 4.16Å; L324-I330 HydrophobicContact CG-CD1 4.44Å; L324-L339 HydrophobicContact CD2-CD2 4.29Å
325Q93.9Very high93.9Very high126 Ų12669.7 Ų69.759%0.58934%0.341SS*.Hα-helixtrans-63.5-47.3171.6-73.9174.2-20.200111.5L321 T323 L327 N328 I330L321-Q325 WeakPolarHBondContact O-CB 3.23Å; L321-Q325 VanDerWaalsContact O-CG 3.3Å; L321-Q325 WeakPolarHBondContact O-CG 3.28Å; L321-Q325 PolarHBondContact O-N 3.18Å; T323-Q325 VanDerWaalsContact C-N 3.29Å; T323-Q325 PolarHBondContact O-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.95Å; Q325-N328 PolarHBondContact O-N 3.41Å; Q325-N328 PolarHBondContact O-OD1 3.04Å; Q325-I330 HydrophobicContact CG-CD1 4.4Å
326L92.1Very high93.5Very high99 Ų9976.2 Ų76.252%0.51837%0.371SS..Hα-helixtrans-63-29.2178.2-175.765.4000112.9R280 A322 T323 N328R280-L326 HydrophobicContact CG-CD2 4.28Å; A322-L326 VanDerWaalsContact O-CB 3.32Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 PolarHBondContact O-N 3.42Å; T323-L326 PolarHBondContact O-N 2.8Å; L326-N328 VanDerWaalsContact C-N 3.26Å
327L91.8Very high93.1Very high13 Ų1381 Ų817%0.06839%0.394CS..THydrogen-bonded Turntrans-75.8-13.7173.9-72.4172.3000113.2K284 L288 T323 L324 Q325 V329 M345K284-L327 HydrophobicContact CB-CD2 4.35Å; K284-L327 HydrophobicContact CD-CD2 3.62Å; K284-L327 HydrophobicContact CG-CD2 3.75Å; L288-L327 HydrophobicContact CD1-CD2 4.07Å; L288-L327 HydrophobicContact CD2-CD1 4Å; L288-L327 HydrophobicContact CD2-CD2 4.5Å; L288-L327 HydrophobicContact CG-CD1 3.97Å; L288-L327 HydrophobicContact CG-CD2 4.32Å; T323-L327 HydrophobicContact CG2-CD1 4.08Å; T323-L327 HydrophobicContact CG2-CG 4.37Å; T323-L327 WeakPolarHBondContact O-CB 3.24Å; T323-L327 VanDerWaalsContact O-CG 3.24Å; T323-L327 WeakPolarHBondContact O-CG 3.43Å; T323-L327 PolarHBondContact O-N 2.79Å; L324-L327 PolarHBondContact O-N 3.31Å; Q325-L327 PolarHBondContact O-N 2.95Å; L327-V329 HydrophobicContact CB-CG1 3.9Å; L327-V329 HydrophobicContact CB-CG2 4.04Å; L327-V329 PolarHBondContact O-N 3.42Å; L327-M345 WeakPolarHBondContact O-CE 3.38Å
328N91.8Very high92.7Very high134 Ų13478.3 Ų78.372%0.71739%0.385SS*.THydrogen-bonded Turntrans5433.7-173.1-62.9-31.5000113.3L324 Q325 L326L324-N328 PolarHBondContact O-N 3.31Å; Q325-N328 PolarHBondContact O-N 3.41Å; Q325-N328 PolarHBondContact O-OD1 3.04Å; L326-N328 VanDerWaalsContact C-N 3.26Å
329V91.2Very high92.4Very high0 Ų075.2 Ų75.20%037%0.372CS..  trans-91.8-20.8-180-65.70000112.9L324 L327 Q331 L339 V340 M345L324-V329 HydrophobicContact CB-CG2 4.25Å; L324-V329 HydrophobicContact CD2-CG2 3.69Å; L324-V329 WeakPolarHBondContact O-CG2 3.49Å; L324-V329 PolarHBondContact O-N 3.37Å; L327-V329 HydrophobicContact CB-CG1 3.9Å; L327-V329 HydrophobicContact CB-CG2 4.04Å; L327-V329 PolarHBondContact O-N 3.42Å; V329-Q331 PolarHBondContact O-N 2.63Å; V329-L339 HydrophobicContact CG2-CD2 4.03Å; V329-L339 CarbonylContact O-C 3.56Å; V329-L339 WeakPolarHBondContact O-CA 3.42Å; V329-V340 WeakPolarHBondContact CB-O 3.4Å; V329-V340 WeakPolarHBondContact CG1-O 3.35Å; V329-V340 PolarHBondContact O-N 3.43Å; V329-M345 HydrophobicContact CG1-CE 4.02Å; V329-M345 HydrophobicContact CG1-SD 3.78Å
330I91Very high92.1Very high55 Ų5577.7 Ų77.728%0.28239%0.387SS..EExtended strand (participates in β ladder)trans-79.3122.4177.8-60.8167.8000109L324 Q325 L339L324-I330 HydrophobicContact CB-CD1 3.45Å; L324-I330 VanDerWaalsContact CB-CD1 3.45Å; L324-I330 HydrophobicContact CB-CG1 3.87Å; L324-I330 HydrophobicContact CD1-CD1 4.16Å; L324-I330 HydrophobicContact CG-CD1 4.44Å; Q325-I330 HydrophobicContact CG-CD1 4.4Å; I330-L339 HydrophobicContact CG1-CD2 3.68Å
331Q91.5Very high91.6Very high95 Ų9579.8 Ų79.844%0.44440%0.398SS..EExtended strand (participates in β ladder)trans-123.5159.4170.1-58.5-174.810.300110.3V329 H337 I338 V340V329-Q331 PolarHBondContact O-N 2.63Å; Q331-H337 CarbonylContact O-C 3.59Å; Q331-H337 WeakPolarHBondContact O-CA 3.46Å; Q331-I338 HydrophobicContact CB-CD1 4.41Å; Q331-I338 HydrophobicContact CB-CG1 3.9Å; Q331-I338 PolarHBondContact N-O 3.21Å; Q331-I338 PolarHBondContact O-N 3.07Å; Q331-V340 HydrophobicContact CB-CG2 4.47Å; Q331-V340 HydrophobicContact CG-CB 4.49Å; Q331-V340 HydrophobicContact CG-CG2 4.09Å
332Y90Very high91.3Very high152 Ų15281.6 Ų81.660%0.59641%0.408SS*.EExtended strand (participates in β ladder)trans-112118.5176.2-166.4-107.3000109.4S335 Q336 H337Y332-S335 VanDerWaalsContact CZ-CA 3.45Å; Y332-S335 WeakPolarHBondContact OH-CA 3.27Å; Y332-Q336 WeakPolarHBondContact CA-O 3.5Å; Y332-H337 AromaticContact CD2-CE1 3.73Å; Y332-H337 AromaticContact CD2-ND1 3.9Å; Y332-H337 AromaticContact CD2-NE2 3.96Å
333Y89.7Confident91Very high130 Ų13086 Ų8651%0.5142%0.417SS..EExtended strand (participates in β ladder)trans-141131.7-177.5-177.6-107.6000110S335 Q336 I338Y333-S335 VanDerWaalsContact C-N 3.27Å; Y333-S335 PolarHBondContact O-N 2.84Å; Y333-Q336 PolarHBondContact N-O 3.26Å; Y333-Q336 PolarHBondContact O-N 3.36Å; Y333-I338 HydrophobicContact CG-CD1 4.38Å
334K89.5Confident90.8Very high155 Ų15592 Ų9267%0.67445%0.445SS*.THydrogen-bonded Turntrans47.347.5-179.4-68.1-179.3175168.40113.6Q336K334-Q336 PolarHBondContact O-N 3.08Å
335S88Confident90.5Very high97 Ų9793.8 Ų93.868%0.67845%0.454SS*.THydrogen-bonded Turntrans62.719.5-179.2-51.70000115.4Y332 Y333Y332-S335 VanDerWaalsContact CZ-CA 3.45Å; Y332-S335 WeakPolarHBondContact OH-CA 3.27Å; Y333-S335 VanDerWaalsContact C-N 3.27Å; Y333-S335 PolarHBondContact O-N 2.84Å
336Q89.1Confident90.4Very high136 Ų13690.2 Ų90.264%0.63644%0.438SS*.EExtended strand (participates in β ladder)trans-129.5148.9178.7-64.8-175.3-22.800110.5Y332 Y333 K334Y332-Q336 WeakPolarHBondContact CA-O 3.5Å; Y333-Q336 PolarHBondContact N-O 3.26Å; Y333-Q336 PolarHBondContact O-N 3.36Å; K334-Q336 PolarHBondContact O-N 3.08Å
337H89.4Confident90.4Very high138 Ų13889.8 Ų89.864%0.63943%0.434SS*.EExtended strand (participates in β ladder)trans-81.4127169.1-71.2-77000109.4Q331 Y332Q331-H337 CarbonylContact O-C 3.59Å; Q331-H337 WeakPolarHBondContact O-CA 3.46Å; Y332-H337 AromaticContact CD2-CE1 3.73Å; Y332-H337 AromaticContact CD2-ND1 3.9Å; Y332-H337 AromaticContact CD2-NE2 3.96Å
338I90.3Very high90.3Very high59 Ų5991.2 Ų91.230%0.30345%0.445SS..EExtended strand (participates in β ladder)trans-116.8147.717463.9170.3000109.7Q331 Y333 V340Q331-I338 HydrophobicContact CB-CD1 4.41Å; Q331-I338 HydrophobicContact CB-CG1 3.9Å; Q331-I338 PolarHBondContact N-O 3.21Å; Q331-I338 PolarHBondContact O-N 3.07Å; Y333-I338 HydrophobicContact CG-CD1 4.38Å; I338-V340 HydrophobicContact CD1-CG2 3.95Å; I338-V340 HydrophobicContact CG1-CG2 4.19Å
339L90.3Very high90.3Very high63 Ų6384.8 Ų84.833%0.3341%0.41SS..EExtended strand (participates in β ladder)trans-100.7117.9173.3-65.8176.6000108.9L291 I304 L324 V329 I330L291-L339 HydrophobicContact CD1-CD1 4.39Å; L291-L339 HydrophobicContact CD2-CD1 3.7Å; I304-L339 HydrophobicContact CG2-CD1 3.86Å; L324-L339 HydrophobicContact CD2-CD2 4.29Å; V329-L339 HydrophobicContact CG2-CD2 4.03Å; V329-L339 CarbonylContact O-C 3.56Å; V329-L339 WeakPolarHBondContact O-CA 3.42Å; I330-L339 HydrophobicContact CG1-CD2 3.68Å
340V89.4Confident90.2Very high62 Ų6288.6 Ų88.638%0.37643%0.428SS..  trans-109115.9177.6-177.60000108.6V329 Q331 I338V329-V340 WeakPolarHBondContact CB-O 3.4Å; V329-V340 WeakPolarHBondContact CG1-O 3.35Å; V329-V340 PolarHBondContact O-N 3.43Å; Q331-V340 HydrophobicContact CB-CG2 4.47Å; Q331-V340 HydrophobicContact CG-CB 4.49Å; Q331-V340 HydrophobicContact CG-CG2 4.09Å; I338-V340 HydrophobicContact CD1-CG2 3.95Å; I338-V340 HydrophobicContact CG1-CG2 4.19Å
341I89.3Confident90.2Very high44 Ų4493.7 Ų93.723%0.22645%0.448CS..  trans-110.2119-177.7-54.1170000107.8L291 M345 I346L291-I341 HydrophobicContact CB-CD1 3.51Å; L291-I341 HydrophobicContact CD1-CD1 4.1Å; L291-I341 HydrophobicContact CG-CD1 4.37Å; I341-M345 HydrophobicContact CG2-CB 3.87Å; I341-M345 HydrophobicContact CG2-SD 4.41Å; I341-I346 HydrophobicContact CG2-CG1 3.98Å
342D90Very high90Very high97 Ų9790.4 Ų90.452%0.51943%0.432SS..  trans-71.5149.1176.6179.725.3000111.1H344 M345 I346D342-H344 PolarHBondContact O-N 2.99Å; D342-H344 WeakPolarHBondContact OD2-CB 3.31Å; D342-M345 HydrophobicContact CB-CG 4.38Å; D342-M345 WeakPolarHBondContact O-CA 3.46Å; D342-M345 VanDerWaalsContact O-CB 3.31Å; D342-M345 WeakPolarHBondContact O-CB 3.22Å; D342-M345 PolarHBondContact O-N 3.43Å; D342-I346 PolarHBondContact O-N 3.12Å
343K90Very high89.9Confident142 Ų14287 Ų8762%0.61742%0.422SS*.Hα-helixtrans-53.2-38.1175.8-172.6-179.9-179.3-1720112M345 I346 E347K343-M345 PolarHBondContact O-N 2.8Å; K343-I346 WeakPolarHBondContact O-CB 3.26Å; K343-I346 PolarHBondContact O-N 3.32Å; K343-I346 VanDerWaalsContact O-N 3.14Å; K343-E347 WeakPolarHBondContact CE-OE1 3.49Å; K343-E347 HydrophobicContact CG-CG 4.42Å; K343-E347 IonicContact NZ-OE1 3.9Å; K343-E347 WeakPolarHBondContact O-CG 3.49Å; K343-E347 PolarHBondContact O-N 3.3Å
344H92.2Very high89.8Confident131 Ų13185.5 Ų85.561%0.60643%0.43SS*.Hα-helixtrans-64.2-29.4177-167.3-72.8000112.5D342 S348D342-H344 PolarHBondContact O-N 2.99Å; D342-H344 WeakPolarHBondContact OD2-CB 3.31Å; H344-S348 VanDerWaalsContact O-CB 3.28Å; H344-S348 WeakPolarHBondContact O-CB 3.28Å; H344-S348 PolarHBondContact O-N 3.12Å; H344-S348 PolarHBondContact O-OG 3.08Å
345M90.8Very high89.5Confident42 Ų4280 Ų8021%0.20741%0.411CS..Hα-helixtrans-70.6-42.7173.6-60.5-170.2-171.900110.9L288 L327 V329 I341 D342 K343 S348 V349L288-M345 HydrophobicContact CD2-CB 4.28Å; L288-M345 HydrophobicContact CD2-SD 3.91Å; L327-M345 WeakPolarHBondContact O-CE 3.38Å; V329-M345 HydrophobicContact CG1-CE 4.02Å; V329-M345 HydrophobicContact CG1-SD 3.78Å; I341-M345 HydrophobicContact CG2-CB 3.87Å; I341-M345 HydrophobicContact CG2-SD 4.41Å; D342-M345 HydrophobicContact CB-CG 4.38Å; D342-M345 WeakPolarHBondContact O-CA 3.46Å; D342-M345 VanDerWaalsContact O-CB 3.31Å; D342-M345 WeakPolarHBondContact O-CB 3.22Å; D342-M345 PolarHBondContact O-N 3.43Å; K343-M345 PolarHBondContact O-N 2.8Å; M345-S348 PolarHBondContact O-N 3.1Å; M345-S348 PolarHBondContact O-OG 2.66Å; M345-V349 WeakPolarHBondContact O-CG2 3.45Å; M345-V349 PolarHBondContact O-N 3.48Å; M345-V349 VanDerWaalsContact O-N 3.08Å
346I90.1Very high88.9Confident51 Ų5181.6 Ų81.626%0.26242%0.422SS..Hα-helixtrans-59.2-53175.7-62.6166.9000110.1V292 I341 D342 K343 S348 V349 E350V292-I346 HydrophobicContact CG1-CG2 4.16Å; V292-I346 HydrophobicContact CG2-CG1 4.07Å; I341-I346 HydrophobicContact CG2-CG1 3.98Å; D342-I346 PolarHBondContact O-N 3.12Å; K343-I346 WeakPolarHBondContact O-CB 3.26Å; K343-I346 PolarHBondContact O-N 3.32Å; K343-I346 VanDerWaalsContact O-N 3.14Å; I346-S348 PolarHBondContact O-N 3.04Å; I346-V349 WeakPolarHBondContact O-CB 3.24Å; I346-V349 PolarHBondContact O-N 3.3Å; I346-E350 HydrophobicContact CG2-CG 4.45Å; I346-E350 WeakPolarHBondContact O-CG 3.49Å; I346-E350 PolarHBondContact O-N 3.38Å
347E92.2Very high88.5Confident89 Ų8982.9 Ų82.942%0.41642%0.421SS..Hα-helixtrans-58-37.2177.9-70.8175.5-173.300111.9K343 E350 K351K343-E347 WeakPolarHBondContact CE-OE1 3.49Å; K343-E347 HydrophobicContact CG-CG 4.42Å; K343-E347 IonicContact NZ-OE1 3.9Å; K343-E347 WeakPolarHBondContact O-CG 3.49Å; K343-E347 PolarHBondContact O-N 3.3Å; E347-E350 PolarHBondContact O-N 3.43Å; E347-K351 VanDerWaalsContact O-CB 3.24Å; E347-K351 WeakPolarHBondContact O-CB 3.47Å; E347-K351 PolarHBondContact O-N 3.01Å
348S90.5Very high88.2Confident43 Ų4380.7 Ų80.730%0.30142%0.417SS..Hα-helixtrans-65.5-37.7177.478.20000112.7H344 M345 I346 W352H344-S348 VanDerWaalsContact O-CB 3.28Å; H344-S348 WeakPolarHBondContact O-CB 3.28Å; H344-S348 PolarHBondContact O-N 3.12Å; H344-S348 PolarHBondContact O-OG 3.08Å; M345-S348 PolarHBondContact O-N 3.1Å; M345-S348 PolarHBondContact O-OG 2.66Å; I346-S348 PolarHBondContact O-N 3.04Å; S348-W352 VanDerWaalsContact O-CB 3.22Å; S348-W352 WeakPolarHBondContact O-CB 3.36Å; S348-W352 PolarHBondContact O-N 3.48Å; S348-W352 VanDerWaalsContact O-N 3.12Å
349V91.2Very high88.3Confident0 Ų081.9 Ų81.90%042%0.418CS..Hα-helixtrans-69-45.3175.5170.90000110.2L288 E289 V292 M345 I346 W352 Q353L288-V349 HydrophobicContact CB-CG2 3.68Å; E289-V349 HydrophobicContact CG-CG1 3.79Å; V292-V349 HydrophobicContact CB-CG1 4.26Å; V292-V349 HydrophobicContact CG1-CG1 4.25Å; V292-V349 HydrophobicContact CG2-CB 4.21Å; V292-V349 HydrophobicContact CG2-CG1 4.42Å; V292-V349 HydrophobicContact CG2-CG2 4.02Å; M345-V349 WeakPolarHBondContact O-CG2 3.45Å; M345-V349 PolarHBondContact O-N 3.48Å; M345-V349 VanDerWaalsContact O-N 3.08Å; I346-V349 WeakPolarHBondContact O-CB 3.24Å; I346-V349 PolarHBondContact O-N 3.3Å; V349-W352 CarbonylContact O-C 3.58Å; V349-W352 WeakPolarHBondContact O-CB 3.5Å; V349-W352 PolarHBondContact O-N 3.08Å; V349-W352 VanDerWaalsContact O-N 3.12Å; V349-Q353 HydrophobicContact CG1-CG 4.21Å; V349-Q353 WeakPolarHBondContact O-CB 3.42Å; V349-Q353 WeakPolarHBondContact O-CG 3.43Å; V349-Q353 PolarHBondContact O-N 3.3Å
350E90.6Very high88.6Confident79 Ų7979.3 Ų79.337%0.36941%0.405SS..Hα-helixtrans-64.3-44.6179.9-67.7-179.215300112.4K296 I346 E347 W352 Q353 S354K296-E350 WeakPolarHBondContact CE-OE1 3.43Å; K296-E350 IonicContact NZ-OE1 3.78Å; K296-E350 PolarHBondContact NZ-OE1 3.35Å; I346-E350 HydrophobicContact CG2-CG 4.45Å; I346-E350 WeakPolarHBondContact O-CG 3.49Å; I346-E350 PolarHBondContact O-N 3.38Å; E347-E350 PolarHBondContact O-N 3.43Å; E350-W352 PolarHBondContact O-N 3.17Å; E350-Q353 PolarHBondContact O-N 3.49Å; E350-S354 WeakPolarHBondContact O-CB 3.35Å; E350-S354 PolarHBondContact O-N 3.24Å; E350-S354 PolarHBondContact O-OG 2.97Å
351K91.1Very high88.9Confident163 Ų16378.5 Ų78.571%0.70940%0.398SS*.Hα-helixtrans-59.5-34.9173.1-178175.4-178.21740111.7E347 S354 S355E347-K351 VanDerWaalsContact O-CB 3.24Å; E347-K351 WeakPolarHBondContact O-CB 3.47Å; E347-K351 PolarHBondContact O-N 3.01Å; K351-S354 WeakPolarHBondContact CA-OG 3.47Å; K351-S354 PolarHBondContact O-OG 3.16Å; K351-S354 VanDerWaalsContact O-OG 3.1Å; K351-S355 PolarHBondContact O-N 3.42Å
352W87.1Confident89.2Confident25 Ų2579.6 Ų79.610%0.09541%0.408CS..Hα-helixtrans-75.8-43.2179-171103.8000112R248 Q285 E289 S348 V349 E350 S354 S355R248-W352 VanDerWaalsContact CZ-CZ2 3.41Å; R248-W352 VanDerWaalsContact NH2-CH2 3.27Å; Q285-W352 HydrophobicContact CG-CD2 4.13Å; Q285-W352 HydrophobicContact CG-CE3 4.38Å; Q285-W352 HydrophobicContact CG-CH2 4.3Å; Q285-W352 HydrophobicContact CG-CZ2 4.16Å; Q285-W352 HydrophobicContact CG-CZ3 4.46Å; Q285-W352 VanDerWaalsContact NE2-CD2 3.32Å; Q285-W352 VanDerWaalsContact NE2-CE3 3.32Å; E289-W352 WeakPolarHBondContact OE1-CH2 3.42Å; E289-W352 WeakPolarHBondContact OE1-CZ3 3.42Å; S348-W352 VanDerWaalsContact O-CB 3.22Å; S348-W352 WeakPolarHBondContact O-CB 3.36Å; S348-W352 PolarHBondContact O-N 3.48Å; S348-W352 VanDerWaalsContact O-N 3.12Å; V349-W352 CarbonylContact O-C 3.58Å; V349-W352 WeakPolarHBondContact O-CB 3.5Å; V349-W352 PolarHBondContact O-N 3.08Å; V349-W352 VanDerWaalsContact O-N 3.12Å; E350-W352 PolarHBondContact O-N 3.17Å; W352-S354 VanDerWaalsContact C-N 3.29Å; W352-S354 PolarHBondContact O-N 2.88Å; W352-S355 VanDerWaalsContact O-CB 3.31Å; W352-S355 WeakPolarHBondContact O-CB 3.31Å; W352-S355 PolarHBondContact O-N 2.75Å; W352-S355 PolarHBondContact O-OG 2.89Å
353Q87.1Confident89.6Confident82 Ų8279.7 Ų79.738%0.38342%0.416SS..Hα-helixtrans-62.1-36.1176-75176.2-16.900112.2N293 V349 E350 S355N293-Q353 PolarHBondContact OD1-NE2 3.38Å; V349-Q353 HydrophobicContact CG1-CG 4.21Å; V349-Q353 WeakPolarHBondContact O-CB 3.42Å; V349-Q353 WeakPolarHBondContact O-CG 3.43Å; V349-Q353 PolarHBondContact O-N 3.3Å; E350-Q353 PolarHBondContact O-N 3.49Å; Q353-S355 VanDerWaalsContact C-N 3.29Å
354S86.8Confident89.9Confident98 Ų9874.4 Ų74.469%0.68540%0.397SS*.THydrogen-bonded Turntrans-78.2-9.1174.454.80000114E350 K351 W352E350-S354 WeakPolarHBondContact O-CB 3.35Å; E350-S354 PolarHBondContact O-N 3.24Å; E350-S354 PolarHBondContact O-OG 2.97Å; K351-S354 WeakPolarHBondContact CA-OG 3.47Å; K351-S354 PolarHBondContact O-OG 3.16Å; K351-S354 VanDerWaalsContact O-OG 3.1Å; W352-S354 VanDerWaalsContact C-N 3.29Å; W352-S354 PolarHBondContact O-N 2.88Å
355S85Confident90.2Very high40 Ų4069.1 Ų69.128%0.2837%0.373SS..SBendtrans-76.8142.8177.579.40000111.5K351 W352 Q353 R357K351-S355 PolarHBondContact O-N 3.42Å; W352-S355 VanDerWaalsContact O-CB 3.31Å; W352-S355 WeakPolarHBondContact O-CB 3.31Å; W352-S355 PolarHBondContact O-N 2.75Å; W352-S355 PolarHBondContact O-OG 2.89Å; Q353-S355 VanDerWaalsContact C-N 3.29Å; S355-R357 PolarHBondContact O-N 2.78Å; S355-R357 WeakPolarHBondContact OG-CD 3.31Å; S355-R357 WeakPolarHBondContact OG-CG 3.34Å
356S74.8Confident90.5Very high130 Ų13073.6 Ų73.691%0.90939%0.393SS*.  trans-74.327.8175.156.70000113.8
357R80.6Confident90.8Very high162 Ų16272 Ų7261%0.61138%0.384SS*.  trans-70.5135.1-179.7-75.5179.8172.9159.2-1.2110.2S355 R359S355-R357 PolarHBondContact O-N 2.78Å; S355-R357 WeakPolarHBondContact OG-CD 3.31Å; S355-R357 WeakPolarHBondContact OG-CG 3.34Å; R357-R359 PolarHBondContact O-N 3.24Å
358V83.5Confident90.8Very high92 Ų9276 Ų7656%0.55840%0.4SS*.  trans-60.7131.1177.5-174.40000109.9L249L249-V358 HydrophobicContact CD1-CB 4.45Å; L249-V358 HydrophobicContact CD1-CG1 4.09Å; L249-V358 HydrophobicContact CD2-CB 4.46Å; L249-V358 HydrophobicContact CD2-CG1 4.09Å; L249-V358 WeakPolarHBondContact CD2-O 3.4Å
359R91.3Very high90.8Very high85 Ų8577.1 Ų77.132%0.32141%0.406SS..  trans-120.7152.8174.5-63.9-65.8-63.7-84.29.9109.6E252 E289 R357 D361E252-R359 IonicContact OE1-CZ 3.62Å; E252-R359 IonicContact OE1-NE 3.42Å; E252-R359 PolarHBondContact OE1-NE 3.42Å; E252-R359 IonicContact OE1-NH2 2.95Å; E252-R359 PolarHBondContact OE1-NH2 3.3Å; E252-R359 IonicContact OE2-NE 2.81Å; E252-R359 PolarHBondContact OE2-NE 3.28Å; E289-R359 IonicContact OE2-NH1 3.8Å; E289-R359 IonicContact OE2-NH2 2.82Å; R357-R359 PolarHBondContact O-N 3.24Å; R359-D361 PolarHBondContact O-N 3.04Å
360I96.1Very high90.7Very high9 Ų979.8 Ų79.85%0.04642%0.423CS..  trans-68.4130162.7-59.1-54.9000108.4Y159 L164 F206 L249 E252 F253 E256 P362 I365Y159-I360 HydrophobicContact CE2-CG2 3.95Å; L164-I360 HydrophobicContact CD2-CD1 4.06Å; F206-I360 HydrophobicContact CE1-CD1 4.48Å; L249-I360 HydrophobicContact CB-CD1 4.21Å; L249-I360 HydrophobicContact CD2-CD1 3.96Å; L249-I360 HydrophobicContact CD2-CG1 4.19Å; E252-I360 HydrophobicContact CB-CG1 4.2Å; E252-I360 HydrophobicContact CG-CB 4.11Å; E252-I360 HydrophobicContact CG-CG1 4.11Å; E252-I360 PolarHBondContact OE2-N 3.25Å; F253-I360 HydrophobicContact CB-CD1 4.37Å; F253-I360 HydrophobicContact CB-CG1 4.05Å; F253-I360 HydrophobicContact CD2-CD1 3.89Å; F253-I360 HydrophobicContact CD2-CG1 4.06Å; F253-I360 HydrophobicContact CD2-CG2 3.68Å; F253-I360 HydrophobicContact CE2-CG2 4.29Å; E256-I360 HydrophobicContact CG-CG2 4.12Å; I360-P362 WeakPolarHBondContact O-CD 3.49Å; I360-I365 HydrophobicContact CG2-CD1 4.05Å; I360-I365 HydrophobicContact CG2-CG1 4.49Å
361D96.3Very high90.3Very high44 Ų4479.3 Ų79.324%0.23542%0.423CS..  trans-95.6108.4172.9-169.1-30.6000109.5Y159 K161 R359 S363 C364Y159-D361 WeakPolarHBondContact CE2-O 3.41Å; Y159-D361 PolarHBondContact OH-N 3.23Å; K161-D361 HydrophobicContact CD-CB 3.66Å; K161-D361 IonicContact NZ-OD2 2.77Å; K161-D361 PolarHBondContact NZ-OD2 2.62Å; R359-D361 PolarHBondContact O-N 3.04Å; D361-S363 PolarHBondContact O-N 3.14Å; D361-S363 VanDerWaalsContact O-N 3.11Å; D361-S363 WeakPolarHBondContact OD1-CB 3.32Å; D361-S363 PolarHBondContact OD1-N 3.27Å; D361-S363 VanDerWaalsContact OD1-N 3.07Å; D361-S363 PolarHBondContact OD1-OG 2.87Å; D361-C364 HydrophobicContact CB-CB 4.33Å; D361-C364 PolarHBondContact O-N 2.87Å
362P96.5Very high89.9Confident67 Ų6773.4 Ų73.444%0.43540%0.396SS..G310 helixtrans-59.2-28.2-176.3-24.635.6000113E256 I360 C364 I365E256-P362 HydrophobicContact CG-CG 4.34Å; E256-P362 WeakPolarHBondContact OE2-CG 3.45Å; I360-P362 WeakPolarHBondContact O-CD 3.49Å; P362-C364 PolarHBondContact O-N 2.91Å; P362-I365 WeakPolarHBondContact O-CB 3.36Å; P362-I365 PolarHBondContact O-N 2.84Å; P362-I365 VanDerWaalsContact O-N 3.14Å
363S97Very high89.2Confident99 Ų9976.4 Ų76.469%0.69242%0.421SS*.G310 helixtrans-68.4-21.8179.273.70000113.4D361 I365D361-S363 PolarHBondContact O-N 3.14Å; D361-S363 VanDerWaalsContact O-N 3.11Å; D361-S363 WeakPolarHBondContact OD1-CB 3.32Å; D361-S363 PolarHBondContact OD1-N 3.27Å; D361-S363 VanDerWaalsContact OD1-N 3.07Å; D361-S363 PolarHBondContact OD1-OG 2.87Å; S363-I365 VanDerWaalsContact C-N 3.34Å
364C97.9Very high88.4Confident32 Ų3280.3 Ų80.322%0.21644%0.436CS..G310 helixtrans-87.2-2.1176.3-59.30000113Y159 D361 P362 Q366Y159-C364 HydrophobicContact CD2-CB 3.88Å; Y159-C364 HydrophobicContact CE2-CB 3.65Å; D361-C364 HydrophobicContact CB-CB 4.33Å; D361-C364 PolarHBondContact O-N 2.87Å; P362-C364 PolarHBondContact O-N 2.91Å; C364-Q366 PolarHBondContact O-N 2.87Å
365I98.4Very high87.4Confident19 Ų1979.5 Ų79.510%0.09742%0.423CS..BIsolated β-bridgetrans-82111.7177.6-59.1175.2000109.5I158 Y159 F253 E256 L257 I260 I360 P362 S363 W367I158-I365 CarbonylContact O-C 3.58Å; I158-I365 WeakPolarHBondContact O-CA 3.34Å; Y159-I365 HydrophobicContact CD2-CG1 3.72Å; Y159-I365 HydrophobicContact CE2-CG1 4.31Å; F253-I365 HydrophobicContact CD2-CD1 4.45Å; F253-I365 HydrophobicContact CE2-CD1 4.1Å; F253-I365 HydrophobicContact CE2-CG1 3.97Å; F253-I365 HydrophobicContact CZ-CG1 4.42Å; E256-I365 HydrophobicContact CB-CD1 3.64Å; E256-I365 HydrophobicContact CG-CD1 4.33Å; L257-I365 HydrophobicContact CD2-CG2 4.27Å; I260-I365 HydrophobicContact CD1-CB 4.22Å; I260-I365 HydrophobicContact CD1-CD1 4.27Å; I260-I365 HydrophobicContact CD1-CG2 3.69Å; I360-I365 HydrophobicContact CG2-CD1 4.05Å; I360-I365 HydrophobicContact CG2-CG1 4.49Å; P362-I365 WeakPolarHBondContact O-CB 3.36Å; P362-I365 PolarHBondContact O-N 2.84Å; P362-I365 VanDerWaalsContact O-N 3.14Å; S363-I365 VanDerWaalsContact C-N 3.34Å; I365-W367 HydrophobicContact CG2-CB 3.63Å; I365-W367 PolarHBondContact O-N 3.3Å
366Q96.9Very high85.9Confident137 Ų13791.4 Ų91.464%0.6446%0.462SS*.  trans-100.759.4176.6-61.7-174.30.500111R156 I158 C364R156-Q366 PolarHBondContact NH2-O 3.19Å; I158-Q366 PolarHBondContact O-N 3.19Å; C364-Q366 PolarHBondContact O-N 2.87Å
367W96.3Very high86.4Confident18 Ų1889.5 Ų89.57%0.06844%0.44CS..  trans-128.6148.7-173.9-175.384.6000111.5I158 E168 L257 I260 E261 I365 P369I158-W367 HydrophobicContact CB-CB 4.26Å; I158-W367 HydrophobicContact CD1-CB 4.35Å; I158-W367 HydrophobicContact CD1-CG 4.26Å; E168-W367 PolarHBondContact OE2-NE1 2.84Å; L257-W367 HydrophobicContact CD2-CB 4.37Å; L257-W367 HydrophobicContact CD2-CD2 3.81Å; L257-W367 HydrophobicContact CD2-CE3 3.79Å; L257-W367 HydrophobicContact CD2-CG 4.08Å; L257-W367 HydrophobicContact CD2-CZ3 4.34Å; I260-W367 HydrophobicContact CB-CE3 4.26Å; I260-W367 HydrophobicContact CB-CZ3 4.16Å; I260-W367 HydrophobicContact CD1-CE3 4.42Å; I260-W367 HydrophobicContact CG2-CE3 3.83Å; I260-W367 HydrophobicContact CG2-CZ3 3.86Å; E261-W367 HydrophobicContact CG-CH2 3.53Å; E261-W367 HydrophobicContact CG-CZ3 3.8Å; E261-W367 WeakPolarHBondContact OE1-CH2 3.34Å; I365-W367 HydrophobicContact CG2-CB 3.63Å; I365-W367 PolarHBondContact O-N 3.3Å; W367-P369 VanDerWaalsContact CH2-CA 3.45Å; W367-P369 HydrophobicContact CH2-CB 3.95Å; W367-P369 HydrophobicContact CH2-CG 3.88Å; W367-P369 HydrophobicContact CZ3-CB 4.24Å; W367-P369 HydrophobicContact CZ3-CG 3.65Å
368K92.7Very high86.8Confident173 Ų17385.6 Ų85.675%0.75243%0.431SS*.  trans-135140.6173.5-69.5-174.5179.3-1770109.6T370K368-T370 PolarHBondContact O-N 3.22Å
369P90.4Very high86.9Confident65 Ų6585.3 Ų85.342%0.42242%0.424SS..  trans-56.3133.1175.1-22.732.3000111.4I260 E261 W367I260-P369 HydrophobicContact CG2-CG 4.32Å; E261-P369 HydrophobicContact CB-CG 4.47Å; E261-P369 HydrophobicContact CG-CB 4.08Å; E261-P369 HydrophobicContact CG-CG 3.85Å; W367-P369 VanDerWaalsContact CH2-CA 3.45Å; W367-P369 HydrophobicContact CH2-CB 3.95Å; W367-P369 HydrophobicContact CH2-CG 3.88Å; W367-P369 HydrophobicContact CZ3-CB 4.24Å; W367-P369 HydrophobicContact CZ3-CG 3.65Å
370T88.3Confident86.7Confident57 Ų5785.3 Ų85.335%0.3543%0.43SS..  trans-95.9127.4172.2-62.10000109.2K368 W372 I375K368-T370 PolarHBondContact O-N 3.22Å; T370-W372 HydrophobicContact CG2-CD2 4Å; T370-W372 HydrophobicContact CG2-CE3 4.25Å; T370-W372 HydrophobicContact CG2-CH2 4.08Å; T370-W372 HydrophobicContact CG2-CZ2 3.79Å; T370-W372 HydrophobicContact CG2-CZ3 4.3Å; T370-W372 PolarHBondContact O-N 3.18Å; T370-W372 VanDerWaalsContact O-N 3.13Å; T370-W372 PolarHBondContact O-NE1 2.94Å; T370-I375 HydrophobicContact CG2-CD1 3.51Å
371D83Confident86.1Confident69 Ų6990.1 Ų90.137%0.36945%0.454SS..  trans-80.592.1175.1-173.9-6.1000110.7S373 K374D371-S373 PolarHBondContact O-N 2.86Å; D371-S373 WeakPolarHBondContact OD1-CB 3.46Å; D371-S373 PolarHBondContact OD1-N 3.5Å; D371-S373 PolarHBondContact OD1-OG 3.42Å; D371-K374 HydrophobicContact CB-CD 4.35Å; D371-K374 PolarHBondContact O-N 3.15Å; D371-K374 WeakPolarHBondContact OD2-CD 3.42Å; D371-K374 WeakPolarHBondContact OD2-CE 3.18Å; D371-K374 WeakPolarHBondContact OD2-CG 3.39Å; D371-K374 IonicContact OD2-NZ 3.67Å; D371-K374 PolarHBondContact OD2-NZ 3.39Å
372W81.2Confident85.4Confident39 Ų3993.1 Ų93.115%0.14847%0.468CS..THydrogen-bonded Turntrans-70.3-8.7-179.9-58.5103.5000113.8L202 K224 K225 T370 K374 I375L202-W372 HydrophobicContact CD1-CZ2 3.87Å; L202-W372 HydrophobicContact CD2-CH2 4.05Å; L202-W372 HydrophobicContact CD2-CZ2 3.79Å; L202-W372 HydrophobicContact CG-CZ2 4.11Å; K224-W372 HydrophobicContact CB-CB 4.49Å; K224-W372 HydrophobicContact CB-CD2 3.8Å; K224-W372 HydrophobicContact CB-CE3 4.38Å; K224-W372 HydrophobicContact CB-CG 3.81Å; K224-W372 HydrophobicContact CD-CD2 3.99Å; K224-W372 HydrophobicContact CD-CE3 3.79Å; K224-W372 HydrophobicContact CD-CH2 3.97Å; K224-W372 HydrophobicContact CD-CZ2 4.17Å; K224-W372 HydrophobicContact CD-CZ3 3.77Å; K224-W372 HydrophobicContact CG-CD2 3.87Å; K224-W372 HydrophobicContact CG-CE3 4.2Å; K224-W372 HydrophobicContact CG-CG 4.4Å; K224-W372 HydrophobicContact CG-CH2 4.24Å; K224-W372 HydrophobicContact CG-CZ2 3.92Å; K224-W372 HydrophobicContact CG-CZ3 4.37Å; K225-W372 VanDerWaalsContact CE-C 3.44Å; K225-W372 WeakPolarHBondContact CE-O 3.32Å; K225-W372 HydrophobicContact CG-CB 4.07Å; K225-W372 PolarHBondContact NZ-O 3.27Å; T370-W372 HydrophobicContact CG2-CD2 4Å; T370-W372 HydrophobicContact CG2-CE3 4.25Å; T370-W372 HydrophobicContact CG2-CH2 4.08Å; T370-W372 HydrophobicContact CG2-CZ2 3.79Å; T370-W372 HydrophobicContact CG2-CZ3 4.3Å; T370-W372 PolarHBondContact O-N 3.18Å; T370-W372 VanDerWaalsContact O-N 3.13Å; T370-W372 PolarHBondContact O-NE1 2.94Å; W372-K374 VanDerWaalsContact C-N 3.32Å; W372-I375 HydrophobicContact CD2-CD1 4.43Å; W372-I375 HydrophobicContact CE3-CD1 3.69Å; W372-I375 HydrophobicContact CZ3-CD1 3.83Å
373S73.4Confident84.6Confident88 Ų8895 Ų9562%0.61547%0.471SS*.THydrogen-bonded Turntrans-73.5-27.6173.174.90000112D371D371-S373 PolarHBondContact O-N 2.86Å; D371-S373 WeakPolarHBondContact OD1-CB 3.46Å; D371-S373 PolarHBondContact OD1-N 3.5Å; D371-S373 PolarHBondContact OD1-OG 3.42Å
374K70.3Confident83.7Confident164 Ų16494.7 Ų94.771%0.71345%0.454SS*.SBendtrans-89-13.3-178.1-67.9179.1178.8131.20114.3D371 W372D371-K374 HydrophobicContact CB-CD 4.35Å; D371-K374 PolarHBondContact O-N 3.15Å; D371-K374 WeakPolarHBondContact OD2-CD 3.42Å; D371-K374 WeakPolarHBondContact OD2-CE 3.18Å; D371-K374 WeakPolarHBondContact OD2-CG 3.39Å; D371-K374 IonicContact OD2-NZ 3.67Å; D371-K374 PolarHBondContact OD2-NZ 3.39Å; W372-K374 VanDerWaalsContact C-N 3.32Å
375I65.9Low82.5Confident80 Ų8099.9 Ų99.941%0.4147%0.473SS..  trans-91.1112.9-179-59.9172.1000108.1T370 W372T370-I375 HydrophobicContact CG2-CD1 3.51Å; W372-I375 HydrophobicContact CD2-CD1 4.43Å; W372-I375 HydrophobicContact CE3-CD1 3.69Å; W372-I375 HydrophobicContact CZ3-CD1 3.83Å
376R53Low81Confident290 Ų290107.3 Ų107.3100%1.09451%0.507SS*.  trans-68.20176.9-84.6-175.4174.1175.7-1.8113.5R172R172-R376 PolarHBondContact NH1-O 3.23Å

Retrieved 376 of 376 residues in 553.3 ms (Link to these results)

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