A0A077Z9H3_TRITR Loading...

C9orf72-like domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9H3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 467 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
1M54.4Low83.1Confident138 Ų13863.2 Ų63.268%0.6834%0.335SS*.  0130.50-171.6-179.5-75.200105.6F6 S231M1-F6 HydrophobicContact SD-CD2 4.28Å; M1-S231 WeakPolarHBondContact SD-CB 3.18Å
2E69Low83.8Confident57 Ų5758.4 Ų58.427%0.26631%0.311SS..  trans-74.6135.8-176.5-65.1171.3-15500109.4E4 V5 F6 T59E2-E4 PolarHBondContact O-N 2.91Å; E2-E4 VanDerWaalsContact O-N 3.16Å; E2-V5 PolarHBondContact O-N 2.82Å; E2-V5 VanDerWaalsContact O-N 3.14Å; E2-F6 PolarHBondContact O-N 3.37Å; E2-T59 VanDerWaalsContact OE1-CA 3.32Å; E2-T59 WeakPolarHBondContact OE1-CA 3.48Å; E2-T59 WeakPolarHBondContact OE2-CA 3.04Å; E2-T59 WeakPolarHBondContact OE2-CB 3.39Å; E2-T59 WeakPolarHBondContact OE2-CG2 3.3Å
3A81Confident84.4Confident83 Ų8358 Ų5869%0.68631%0.309SS*.Hα-helixtrans-56.1-33.8-172.900000112.6F6 E7A3-F6 PolarHBondContact O-N 2.9Å; A3-E7 PolarHBondContact O-N 2.72Å
4E83.9Confident84.9Confident92 Ų9266.8 Ų66.843%0.4334%0.335SS..Hα-helixtrans-65.5-40.1-179.5-56.8179.3174.900112.6E2 F6 E7 I8 L57E2-E4 PolarHBondContact O-N 2.91Å; E2-E4 VanDerWaalsContact O-N 3.16Å; E4-F6 VanDerWaalsContact C-N 3.32Å; E4-F6 PolarHBondContact O-N 3.04Å; E4-E7 PolarHBondContact O-N 3.3Å; E4-I8 WeakPolarHBondContact O-CG1 3.47Å; E4-I8 PolarHBondContact O-N 3.4Å; E4-L57 HydrophobicContact CB-CD1 3.81Å; E4-L57 WeakPolarHBondContact OE2-CD1 3.41Å
5V86Confident85.3Confident1 Ų169.7 Ų69.71%0.00635%0.353CS..Hα-helixtrans-65.5-40.6177175.10000110.7E2 E7 I8 V9 L57 T59 S231 T234E2-V5 PolarHBondContact O-N 2.82Å; E2-V5 VanDerWaalsContact O-N 3.14Å; V5-E7 VanDerWaalsContact C-N 3.35Å; V5-I8 PolarHBondContact O-N 3.09Å; V5-V9 PolarHBondContact O-N 2.81Å; V5-L57 HydrophobicContact CG2-CD2 4.16Å; V5-T59 HydrophobicContact CG2-CG2 3.59Å; V5-S231 WeakPolarHBondContact CG1-O 3.34Å; V5-T234 HydrophobicContact CG1-CG2 3.78Å
6F87Confident85.5Confident80 Ų8077.5 Ų77.535%0.35138%0.383SS..Hα-helixtrans-65.1-42176.6-173.8-92.5000110.8M1 E2 A3 E4 I8 V9 D10M1-F6 HydrophobicContact SD-CD2 4.28Å; E2-F6 PolarHBondContact O-N 3.37Å; A3-F6 PolarHBondContact O-N 2.9Å; E4-F6 VanDerWaalsContact C-N 3.32Å; E4-F6 PolarHBondContact O-N 3.04Å; F6-I8 PolarHBondContact O-N 2.62Å; F6-V9 PolarHBondContact O-N 3.23Å; F6-D10 HydrophobicContact CD1-CB 4.24Å; F6-D10 HydrophobicContact CE1-CB 4.04Å; F6-D10 WeakPolarHBondContact O-CB 3.23Å; F6-D10 PolarHBondContact O-N 3.12Å
7E89.9Confident85.8Confident123 Ų12377.2 Ų77.258%0.57539%0.387SS*.Hα-helixtrans-60-43177.2-172.9175.6-174.200112.3A3 E4 V5 V9 D10 V11A3-E7 PolarHBondContact O-N 2.72Å; E4-E7 PolarHBondContact O-N 3.3Å; V5-E7 VanDerWaalsContact C-N 3.35Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 2.99Å; E7-D10 PolarHBondContact O-N 3.05Å; E7-V11 HydrophobicContact CG-CG2 4.24Å; E7-V11 WeakPolarHBondContact O-CB 3.22Å; E7-V11 WeakPolarHBondContact O-CG2 3.43Å; E7-V11 PolarHBondContact O-N 3.12Å
8I90.3Very high86.1Confident28 Ų2878.1 Ų78.114%0.14439%0.388CS..Hα-helixtrans-56-46176.1-70.6165.3000111.3E4 V5 F6 A12 A20 L22 P23 L57E4-I8 WeakPolarHBondContact O-CG1 3.47Å; E4-I8 PolarHBondContact O-N 3.4Å; V5-I8 PolarHBondContact O-N 3.09Å; F6-I8 PolarHBondContact O-N 2.62Å; I8-A12 PolarHBondContact O-N 3.11Å; I8-A20 HydrophobicContact CG2-CB 3.75Å; I8-L22 HydrophobicContact CD1-CD1 4.38Å; I8-P23 HydrophobicContact CD1-CG 4.25Å; I8-L57 HydrophobicContact CD1-CD1 3.94Å; I8-L57 HydrophobicContact CD1-CD2 3.79Å
9V90.8Very high86.5Confident1 Ų177.1 Ų77.11%0.00638%0.383CS..Hα-helixtrans-71.8-45.6-179.1171.50000111.1V5 F6 E7 V11 A12 L13 L230 T234V5-V9 PolarHBondContact O-N 2.81Å; F6-V9 PolarHBondContact O-N 3.23Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 2.99Å; V9-V11 VanDerWaalsContact C-N 3.34Å; V9-V11 PolarHBondContact O-N 2.69Å; V9-A12 PolarHBondContact O-N 3.13Å; V9-L13 HydrophobicContact CG1-CD1 3.72Å; V9-L13 HydrophobicContact CG1-CG 4.22Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 2.65Å; V9-L230 HydrophobicContact CG1-CB 3.53Å; V9-L230 HydrophobicContact CG1-CD1 4.17Å; V9-L230 HydrophobicContact CG2-CB 4.22Å; V9-T234 HydrophobicContact CG2-CG2 4.39Å; V9-T234 VanDerWaalsContact CG2-OG1 3.25Å; V9-T234 WeakPolarHBondContact CG2-OG1 3.43Å
10D90.7Very high86.9Confident24 Ų2473.4 Ų73.413%0.12837%0.365CS..Hα-helixtrans-60.8-42179.9178.443.1000111.3F6 E7 A12 L13 R14F6-D10 HydrophobicContact CD1-CB 4.24Å; F6-D10 HydrophobicContact CE1-CB 4.04Å; F6-D10 WeakPolarHBondContact O-CB 3.23Å; F6-D10 PolarHBondContact O-N 3.12Å; E7-D10 PolarHBondContact O-N 3.05Å; D10-A12 PolarHBondContact O-N 3.28Å; D10-L13 PolarHBondContact O-N 3.32Å; D10-R14 WeakPolarHBondContact O-CB 3.27Å; D10-R14 WeakPolarHBondContact O-CG 3.12Å; D10-R14 PolarHBondContact O-N 2.96Å; D10-R14 IonicContact OD1-CZ 2.86Å; D10-R14 IonicContact OD1-NE 2.7Å; D10-R14 PolarHBondContact OD1-NE 2.89Å; D10-R14 IonicContact OD1-NH2 3.62Å; D10-R14 IonicContact OD2-CZ 3.27Å; D10-R14 IonicContact OD2-NE 3.65Å; D10-R14 PolarHBondContact OD2-NE 3.02Å; D10-R14 IonicContact OD2-NH1 2.76Å; D10-R14 IonicContact OD2-NH2 2.75Å; D10-R14 PolarHBondContact OD2-NH2 3.21Å
11V91.6Very high87.2Confident68 Ų6876.1 Ų76.141%0.41238%0.375SS..Hα-helixtrans-60.5-45.3174.1170.20000111.6E7 V9 N15E7-V11 HydrophobicContact CG-CG2 4.24Å; E7-V11 WeakPolarHBondContact O-CB 3.22Å; E7-V11 WeakPolarHBondContact O-CG2 3.43Å; E7-V11 PolarHBondContact O-N 3.12Å; V9-V11 VanDerWaalsContact C-N 3.34Å; V9-V11 PolarHBondContact O-N 2.69Å; V11-N15 WeakPolarHBondContact O-CB 3.46Å; V11-N15 VanDerWaalsContact O-CG 3.28Å; V11-N15 PolarHBondContact O-N 3.28Å; V11-N15 VanDerWaalsContact O-N 3.12Å; V11-N15 PolarHBondContact O-ND2 2.67Å
12A91.5Very high89Confident6 Ų669.5 Ų69.55%0.0534%0.343CS..Hα-helixtrans-62.3-44.8177.700000111.6I8 V9 D10 N15 K16 V17 L19 A20 F48I8-A12 PolarHBondContact O-N 3.11Å; V9-A12 PolarHBondContact O-N 3.13Å; D10-A12 PolarHBondContact O-N 3.28Å; A12-N15 PolarHBondContact O-N 3.05Å; A12-K16 PolarHBondContact O-N 3.35Å; A12-V17 PolarHBondContact O-N 3.11Å; A12-L19 WeakPolarHBondContact CB-O 3.48Å; A12-A20 HydrophobicContact CB-CB 4.3Å; A12-F48 HydrophobicContact CB-CE2 4.22Å; A12-F48 HydrophobicContact CB-CZ 3.9Å
13L91.1Very high90.1Very high53 Ų5368 Ų6828%0.27734%0.338SS..Hα-helixtrans-67.9-42.8-179.7-69.4176.8000112.7V9 D10 N15 K16 E227 L230V9-L13 HydrophobicContact CG1-CD1 3.72Å; V9-L13 HydrophobicContact CG1-CG 4.22Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 2.65Å; D10-L13 PolarHBondContact O-N 3.32Å; L13-N15 VanDerWaalsContact C-N 3.28Å; L13-N15 PolarHBondContact O-N 2.98Å; L13-K16 WeakPolarHBondContact O-CA 3.47Å; L13-K16 PolarHBondContact O-N 3.32Å; L13-E227 HydrophobicContact CD1-CB 4.35Å; L13-E227 HydrophobicContact CD1-CG 3.48Å; L13-E227 VanDerWaalsContact CD1-CG 3.48Å; L13-L230 HydrophobicContact CD1-CD1 4.15Å; L13-L230 HydrophobicContact CD2-CD1 3.81Å; L13-L230 HydrophobicContact CG-CD1 4.26Å
14R91Very high90.5Very high181 Ų18164.2 Ų64.268%0.68331%0.306SS*.Hα-helixtrans-59.7-39.5174.8-75.1177.8-169.5-166.66.9112D10 K16D10-R14 WeakPolarHBondContact O-CB 3.27Å; D10-R14 WeakPolarHBondContact O-CG 3.12Å; D10-R14 PolarHBondContact O-N 2.96Å; D10-R14 IonicContact OD1-CZ 2.86Å; D10-R14 IonicContact OD1-NE 2.7Å; D10-R14 PolarHBondContact OD1-NE 2.89Å; D10-R14 IonicContact OD1-NH2 3.62Å; D10-R14 IonicContact OD2-CZ 3.27Å; D10-R14 IonicContact OD2-NE 3.65Å; D10-R14 PolarHBondContact OD2-NE 3.02Å; D10-R14 IonicContact OD2-NH1 2.76Å; D10-R14 IonicContact OD2-NH2 2.75Å; D10-R14 PolarHBondContact OD2-NH2 3.21Å; R14-K16 PolarHBondContact O-N 3.04Å
15N91.6Very high90.5Very high111 Ų11165.4 Ų65.459%0.59431%0.307SS*.THydrogen-bonded Turntrans-78.4-1.4176.7-66.9-31000113.2V11 A12 L13 V17V11-N15 WeakPolarHBondContact O-CB 3.46Å; V11-N15 VanDerWaalsContact O-CG 3.28Å; V11-N15 PolarHBondContact O-N 3.28Å; V11-N15 VanDerWaalsContact O-N 3.12Å; V11-N15 PolarHBondContact O-ND2 2.67Å; A12-N15 PolarHBondContact O-N 3.05Å; L13-N15 VanDerWaalsContact C-N 3.28Å; L13-N15 PolarHBondContact O-N 2.98Å; N15-V17 HydrophobicContact CB-CG2 3.92Å; N15-V17 WeakPolarHBondContact O-CG2 3.43Å; N15-V17 PolarHBondContact O-N 3.28Å
16K88.6Confident90.5Very high194 Ų19467.6 Ų67.684%0.84332%0.315SS*.THydrogen-bonded Turntrans55.631-176.7-57.1-179.5179.61780113.2A12 L13 R14A12-K16 PolarHBondContact O-N 3.35Å; L13-K16 WeakPolarHBondContact O-CA 3.47Å; L13-K16 PolarHBondContact O-N 3.32Å; R14-K16 PolarHBondContact O-N 3.04Å
17V90.6Very high90.5Very high73 Ų7367.9 Ų67.944%0.44232%0.317SS..  trans-102.5137.6177.6-1660000108.7A12 N15 L19A12-V17 PolarHBondContact O-N 3.11Å; N15-V17 HydrophobicContact CB-CG2 3.92Å; N15-V17 WeakPolarHBondContact O-CG2 3.43Å; N15-V17 PolarHBondContact O-N 3.28Å; V17-L19 HydrophobicContact CG1-CB 3.67Å; V17-L19 PolarHBondContact O-N 2.87Å
18K91.3Very high90.3Very high93 Ų9362.5 Ų62.540%0.40429%0.292SS..SBendtrans-8225.5173.7-66.8-178.3169-1750112.3E45 L46 K47 F48 V49K18-E45 IonicContact NZ-OE1 2.87Å; K18-E45 PolarHBondContact NZ-OE1 3.49Å; K18-L46 WeakPolarHBondContact CD-O 3.08Å; K18-L46 PolarHBondContact NZ-O 3.34Å; K18-K47 WeakPolarHBondContact CD-O 3.34Å; K18-K47 WeakPolarHBondContact CG-O 3.47Å; K18-F48 CarbonylContact O-C 3.5Å; K18-F48 WeakPolarHBondContact O-CA 3.44Å; K18-V49 PolarHBondContact O-N 3.19Å
19L94.2Very high90.3Very high58 Ų5861.4 Ų61.430%0.30429%0.288SS..EExtended strand (participates in β ladder)trans-133125.7-173-179.770.8000109.3A12 V17 V49 E51A12-L19 WeakPolarHBondContact CB-O 3.48Å; V17-L19 HydrophobicContact CG1-CB 3.67Å; V17-L19 PolarHBondContact O-N 2.87Å; L19-V49 CarbonylContact C-O 3.6Å; L19-V49 WeakPolarHBondContact CA-O 3.35Å; L19-V49 HydrophobicContact CD1-CB 3.7Å; L19-V49 HydrophobicContact CD1-CG1 3.6Å; L19-E51 HydrophobicContact CD1-CB 3.92Å
20A94Very high90.4Very high3 Ų361.4 Ų61.43%0.02529%0.288CS..EExtended strand (participates in β ladder)trans-114.4140.1166.600000110.2I8 A12 F48 V49 W50 E51I8-A20 HydrophobicContact CG2-CB 3.75Å; A12-A20 HydrophobicContact CB-CB 4.3Å; A20-F48 HydrophobicContact CB-CE1 3.59Å; A20-F48 HydrophobicContact CB-CZ 3.7Å; A20-V49 PolarHBondContact N-O 3.46Å; A20-W50 CarbonylContact O-C 3.47Å; A20-W50 WeakPolarHBondContact O-CA 3.42Å; A20-E51 PolarHBondContact O-N 3.37Å
21K92.9Very high90.6Very high131 Ų13163.9 Ų63.957%0.5730%0.299SS*.EExtended strand (participates in β ladder)trans-86.6121.6168.2-68.7-176.1175.2-1750108.3P23 E51 V53K21-P23 WeakPolarHBondContact O-CD 3.05Å; K21-E51 WeakPolarHBondContact CA-O 3.38Å; K21-E51 WeakPolarHBondContact CE-OE2 3.43Å; K21-V53 HydrophobicContact CB-CG1 4.13Å; K21-V53 HydrophobicContact CB-CG2 4.01Å; K21-V53 HydrophobicContact CD-CG1 4.25Å; K21-V53 HydrophobicContact CG-CG1 4.16Å
22L93Very high90.8Very high0 Ų062.5 Ų62.50%029%0.286CS..EExtended strand (participates in β ladder)trans-106.7103.1-176.8-17157.7000109.4I8 V24 W50 E51 V53 L57 T234 N238 L241I8-L22 HydrophobicContact CD1-CD1 4.38Å; L22-V24 HydrophobicContact CG-CG2 4.4Å; L22-V24 PolarHBondContact O-N 2.93Å; L22-W50 HydrophobicContact CB-CB 4.43Å; L22-W50 HydrophobicContact CD2-CB 4.32Å; L22-E51 PolarHBondContact N-O 2.91Å; L22-V53 PolarHBondContact O-N 3.28Å; L22-L57 HydrophobicContact CD1-CD2 4.28Å; L22-T234 HydrophobicContact CD1-CG2 3.76Å; L22-N238 HydrophobicContact CD1-CB 4.1Å; L22-N238 HydrophobicContact CD2-CB 4.34Å; L22-L241 HydrophobicContact CD2-CD1 3.57Å; L22-L241 HydrophobicContact CG-CD1 4.46Å
23P91.4Very high91Very high26 Ų2662.2 Ų62.217%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-71.3125.1179.722.9-25.7000111.1I8 K21 V53 G55 L57 N238I8-P23 HydrophobicContact CD1-CG 4.25Å; K21-P23 WeakPolarHBondContact O-CD 3.05Å; P23-V53 WeakPolarHBondContact CA-O 3.46Å; P23-V53 HydrophobicContact CB-CG2 4.26Å; P23-G55 CarbonylContact C-O 3.52Å; P23-L57 HydrophobicContact CG-CB 4.13Å; P23-L57 HydrophobicContact CG-CD1 4.1Å; P23-L57 HydrophobicContact CG-CG 4.5Å; P23-L57 WeakPolarHBondContact O-CB 3.13Å; P23-N238 PolarHBondContact O-OD1 3.47Å
24V88.3Confident91.3Very high3 Ų359.7 Ų59.72%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-129.2128.1178.7-172.40000110.6L22 Y26 V52 V53 G55 L241L22-V24 HydrophobicContact CG-CG2 4.4Å; L22-V24 PolarHBondContact O-N 2.93Å; V24-Y26 VanDerWaalsContact C-N 3.32Å; V24-Y26 VanDerWaalsContact CG1-O 3.31Å; V24-Y26 WeakPolarHBondContact CG1-O 3.47Å; V24-Y26 PolarHBondContact O-N 3.13Å; V24-V52 HydrophobicContact CB-CG1 4.2Å; V24-V52 HydrophobicContact CG2-CG1 3.94Å; V24-V53 PolarHBondContact N-O 3.24Å; V24-G55 CarbonylContact C-O 3.58Å; V24-G55 WeakPolarHBondContact CA-O 3.48Å; V24-G55 PolarHBondContact N-O 3.04Å; V24-L241 HydrophobicContact CG1-CB 4.22Å; V24-L241 HydrophobicContact CG2-CB 3.98Å; V24-L241 HydrophobicContact CG2-CD1 4.11Å
25R85.5Confident91.5Very high116 Ų11652 Ų5244%0.43824%0.241SC..SBendtrans-62.9-40.2-176.7177.9165.9-172.7-176.95.2112.6G55 D56R25-G55 VanDerWaalsContact CA-O 3.32Å; R25-G55 WeakPolarHBondContact CA-O 3.44Å; R25-G55 PolarHBondContact N-O 2.68Å; R25-D56 WeakPolarHBondContact CB-OD1 3.45Å; R25-D56 WeakPolarHBondContact CD-OD1 3.26Å; R25-D56 WeakPolarHBondContact CG-OD1 3.4Å; R25-D56 IonicContact NE-OD1 3.4Å
26Y84.9Confident91.6Very high48 Ų4846.7 Ų46.719%0.18821%0.213CC..SBendtrans-117104.9-178.6-56.7-63.6000108.6V24 S28 L242 G245 I246V24-Y26 VanDerWaalsContact C-N 3.32Å; V24-Y26 VanDerWaalsContact CG1-O 3.31Å; V24-Y26 WeakPolarHBondContact CG1-O 3.47Å; V24-Y26 PolarHBondContact O-N 3.13Å; Y26-S28 PolarHBondContact O-N 2.92Å; Y26-L242 HydrophobicContact CD2-CD1 3.89Å; Y26-L242 HydrophobicContact CE2-CD1 4.43Å; Y26-G245 WeakPolarHBondContact O-CA 3.48Å; Y26-I246 HydrophobicContact CD2-CD1 4.35Å; Y26-I246 HydrophobicContact CD2-CG1 3.59Å; Y26-I246 HydrophobicContact CE2-CD1 4.47Å; Y26-I246 HydrophobicContact CE2-CG1 3.94Å; Y26-I246 HydrophobicContact CG-CG1 4.38Å
27F86.5Confident91.8Very high86 Ų8637.7 Ų37.738%0.37717%0.174SC..  trans-59.7134.8172-74.3-81.9000111V52 A54F27-V52 HydrophobicContact CD1-CG1 4Å; F27-V52 HydrophobicContact CE1-CG1 4.08Å; F27-A54 HydrophobicContact CE2-CB 3.49Å; F27-A54 VanDerWaalsContact CE2-CB 3.49Å; F27-A54 HydrophobicContact CZ-CB 3.46Å; F27-A54 VanDerWaalsContact CZ-CB 3.46Å
28S87Confident91.8Very high10 Ų1035.7 Ų35.77%0.0716%0.159CC..  trans-101.2-179.3162.375.70000109.5Y26 I30 E248Y26-S28 PolarHBondContact O-N 2.92Å; S28-I30 PolarHBondContact O-N 3.16Å; S28-I30 PolarHBondContact OG-N 3.29Å; S28-E248 WeakPolarHBondContact CA-OE2 3.49Å
29G89.6Confident91.5Very high4 Ų432.9 Ų32.94%0.04115%0.148CC..SBendtrans-68.2-4.917000000116.5L191 W198 E248G29-L191 WeakPolarHBondContact O-CA 3.42Å; G29-L191 WeakPolarHBondContact O-CB 3.45Å; G29-W198 VanDerWaalsContact N-CH2 3.25Å; G29-E248 PolarHBondContact N-OE2 3.26Å; G29-E248 VanDerWaalsContact N-OE2 3.08Å
30I94.1Very high90.9Very high2 Ų239.4 Ų39.41%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-85.5121.8176.9-58.9171.5000108.6S28 R32 V33 L189 V190 W198 L241 L244S28-I30 PolarHBondContact O-N 3.16Å; S28-I30 PolarHBondContact OG-N 3.29Å; I30-R32 WeakPolarHBondContact CG2-O 3.35Å; I30-V33 HydrophobicContact CG2-CG2 4.28Å; I30-L189 HydrophobicContact CD1-CB 4.32Å; I30-L189 HydrophobicContact CD1-CD1 3.88Å; I30-L189 HydrophobicContact CD1-CD2 4.26Å; I30-L189 HydrophobicContact CD1-CG 4.39Å; I30-L189 HydrophobicContact CG2-CB 4.45Å; I30-L189 HydrophobicContact CG2-CD2 4.45Å; I30-V190 WeakPolarHBondContact CA-O 3.36Å; I30-W198 HydrophobicContact CG1-CH2 4.27Å; I30-W198 HydrophobicContact CG1-CZ3 4.38Å; I30-L241 HydrophobicContact CB-CD2 3.87Å; I30-L241 HydrophobicContact CD1-CD2 4.1Å; I30-L241 HydrophobicContact CG2-CD2 3.9Å; I30-L244 HydrophobicContact CD1-CD1 3.36Å
31E93.9Very high90.3Very high76 Ų7644.9 Ų44.936%0.35520%0.198SC..EExtended strand (participates in β ladder)trans-96.6-35.4-178.6-62.9177.1-17100111.4V52 V190E31-V52 WeakPolarHBondContact O-CB 3.33Å; E31-V52 WeakPolarHBondContact O-CG2 3.42Å; E31-V52 PolarHBondContact O-N 3.03Å; E31-V190 PolarHBondContact N-O 2.92Å
32R95.7Very high89.8Confident38 Ų3842.8 Ų42.814%0.14320%0.196CC..EExtended strand (participates in β ladder)trans-144.2154.1179.1-61.5-173.6169.878.15.4112.2I30 W50 E51 Y132 V190I30-R32 WeakPolarHBondContact CG2-O 3.35Å; R32-W50 CarbonylContact C-O 3.59Å; R32-W50 VanDerWaalsContact CA-O 3.27Å; R32-W50 WeakPolarHBondContact CA-O 3.42Å; R32-E51 IonicContact CZ-OE1 3.65Å; R32-E51 IonicContact NE-OE1 2.95Å; R32-E51 IonicContact NH2-OE1 2.59Å; R32-E51 PolarHBondContact NH2-OE1 2.92Å; R32-Y132 VanDerWaalsContact CZ-CE1 3.48Å; R32-V190 HydrophobicContact CB-CB 4.05Å; R32-V190 HydrophobicContact CB-CG2 4.13Å; R32-V190 PolarHBondContact N-O 3.24Å; R32-V190 PolarHBondContact O-N 3.35Å
33V96.7Very high89.5Confident1 Ų143.6 Ų43.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-118.4123.7165.8-175.10000108.6I30 V49 W50 I187 A188 L189 L237I30-V33 HydrophobicContact CG2-CG2 4.28Å; V33-V49 CarbonylContact O-C 3.51Å; V33-V49 WeakPolarHBondContact O-CA 3.21Å; V33-W50 HydrophobicContact CB-CB 4.26Å; V33-W50 HydrophobicContact CB-CE3 4.04Å; V33-W50 HydrophobicContact CG1-CE3 4.01Å; V33-W50 HydrophobicContact CG1-CZ3 4.44Å; V33-W50 PolarHBondContact N-O 2.94Å; V33-W50 PolarHBondContact O-N 3.38Å; V33-I187 HydrophobicContact CG1-CG2 3.71Å; V33-A188 CarbonylContact C-O 3.44Å; V33-A188 WeakPolarHBondContact CA-O 3.3Å; V33-L189 HydrophobicContact CB-CD2 4.43Å; V33-L189 HydrophobicContact CG1-CD2 4.08Å; V33-L189 HydrophobicContact CG2-CD2 3.74Å; V33-L237 HydrophobicContact CB-CD1 4.34Å; V33-L237 HydrophobicContact CG1-CD1 3.83Å; V33-L237 HydrophobicContact CG1-CD2 4Å
34V96.3Very high89.4Confident0 Ų045 Ų450%021%0.213CC..EExtended strand (participates in β ladder)trans-112.2122.7-177.6175.80000109.3L46 V49 I141 A188 V190V34-L46 HydrophobicContact CG1-CD1 3.52Å; V34-V49 HydrophobicContact CG2-CG1 4.3Å; V34-V49 HydrophobicContact CG2-CG2 4.33Å; V34-I141 HydrophobicContact CB-CG2 4.38Å; V34-I141 HydrophobicContact CG1-CG2 4.34Å; V34-A188 HydrophobicContact CB-CB 4.17Å; V34-A188 PolarHBondContact N-O 3.19Å; V34-A188 PolarHBondContact O-N 3.41Å; V34-V190 HydrophobicContact CG2-CG2 3.98Å
35W95.8Very high89.5Confident19 Ų1947.4 Ų47.47%0.07222%0.224CC..EExtended strand (participates in β ladder)trans-103.8125.8170.1177.436.7000110.6K47 F48 W50 H185 S186 I187 I221 L229 L230 M233W35-K47 HydrophobicContact CD2-CB 3.71Å; W35-K47 HydrophobicContact CD2-CG 4.29Å; W35-K47 HydrophobicContact CE3-CB 3.62Å; W35-K47 HydrophobicContact CE3-CG 4.43Å; W35-K47 HydrophobicContact CG-CB 4.16Å; W35-K47 HydrophobicContact CZ2-CG 4.46Å; W35-K47 HydrophobicContact CZ3-CB 4.04Å; W35-K47 WeakPolarHBondContact O-CA 3.31Å; W35-K47 WeakPolarHBondContact O-CB 3.48Å; W35-K47 PolarHBondContact O-N 3.24Å; W35-F48 HydrophobicContact CE3-CB 4.02Å; W35-F48 PolarHBondContact N-O 2.92Å; W35-F48 PolarHBondContact O-N 2.77Å; W35-W50 HydrophobicContact CB-CH2 4.26Å; W35-W50 HydrophobicContact CB-CZ3 3.81Å; W35-W50 HydrophobicContact CE3-CH2 4.43Å; W35-H185 AromaticContact CE2-ND1 3.96Å; W35-H185 AromaticContact CZ2-ND1 3.91Å; W35-H185 AromaticContact NE1-ND1 3.43Å; W35-H185 PolarHBondContact NE1-ND1 2.97Å; W35-S186 WeakPolarHBondContact CA-O 3.39Å; W35-I187 HydrophobicContact CB-CD1 3.71Å; W35-I187 HydrophobicContact CG-CD1 3.66Å; W35-I221 HydrophobicContact CZ2-CD1 4.47Å; W35-L229 HydrophobicContact CH2-CD2 3.64Å; W35-L229 HydrophobicContact CH2-CG 4.39Å; W35-L229 HydrophobicContact CZ2-CD2 4.42Å; W35-L229 HydrophobicContact CZ3-CD2 4.37Å; W35-L230 HydrophobicContact CE3-CD2 4.13Å; W35-L230 HydrophobicContact CZ3-CD2 3.85Å; W35-M233 HydrophobicContact CB-CE 4.3Å; W35-M233 HydrophobicContact CD2-CE 3.8Å; W35-M233 HydrophobicContact CD2-SD 4.17Å; W35-M233 HydrophobicContact CE3-CE 4Å; W35-M233 HydrophobicContact CE3-SD 3.89Å; W35-M233 HydrophobicContact CG-CE 3.94Å; W35-M233 HydrophobicContact CH2-SD 4.28Å; W35-M233 HydrophobicContact CZ3-SD 3.95Å
36S94Very high89.9Confident0 Ų042.8 Ų42.80%021%0.208CC..EExtended strand (participates in β ladder)trans-131158.3177.662.50000111.7E45 A142 L146 H185 S186S36-E45 CarbonylContact C-O 3.55Å; S36-E45 VanDerWaalsContact CA-O 3.3Å; S36-E45 WeakPolarHBondContact CA-O 3.39Å; S36-E45 WeakPolarHBondContact CB-O 3.31Å; S36-A142 VanDerWaalsContact CB-CB 3.48Å; S36-L146 VanDerWaalsContact OG-CD1 3.3Å; S36-L146 WeakPolarHBondContact OG-CD1 3.46Å; S36-L146 WeakPolarHBondContact OG-CG 3.15Å; S36-H185 WeakPolarHBondContact O-CA 3.49Å; S36-S186 PolarHBondContact N-O 3.18Å; S36-S186 PolarHBondContact O-N 2.91Å
37V92.1Very high90.3Very high4 Ų443.1 Ų43.12%0.02421%0.21CC..EExtended strand (participates in β ladder)trans-131.1147.4175.473.10000110.4P44 E45 K47 L146 A183 I184 H185V37-P44 CarbonylContact O-C 3.54Å; V37-P44 WeakPolarHBondContact O-CA 3.31Å; V37-E45 HydrophobicContact CG1-CB 4.03Å; V37-E45 PolarHBondContact N-O 3.39Å; V37-E45 PolarHBondContact O-N 2.9Å; V37-K47 HydrophobicContact CB-CG 4.06Å; V37-K47 HydrophobicContact CG1-CD 3.82Å; V37-K47 HydrophobicContact CG1-CG 3.79Å; V37-L146 VanDerWaalsContact O-CD1 3.32Å; V37-L146 WeakPolarHBondContact O-CD1 3.38Å; V37-A183 HydrophobicContact CG2-CB 3.69Å; V37-I184 CarbonylContact C-O 3.5Å; V37-I184 VanDerWaalsContact CA-O 3.32Å; V37-I184 WeakPolarHBondContact CA-O 3.36Å; V37-H185 WeakPolarHBondContact CG2-CE1 3.45Å
38W90.5Very high90.7Very high32 Ų3239.2 Ų39.212%0.12119%0.193CC..EExtended strand (participates in β ladder)trans-123.5132.1166.3-176.895.6000109.5Y40 G43 P44 L146 I150 A183 I184W38-Y40 AromaticContact CH2-CD1 3.37Å; W38-Y40 HydrophobicContact CH2-CD1 3.37Å; W38-Y40 AromaticContact CH2-CD2 3.95Å; W38-Y40 HydrophobicContact CH2-CD2 3.95Å; W38-Y40 AromaticContact CH2-CE1 3.33Å; W38-Y40 HydrophobicContact CH2-CE1 3.33Å; W38-Y40 AromaticContact CH2-CE2 3.88Å; W38-Y40 HydrophobicContact CH2-CE2 3.88Å; W38-Y40 AromaticContact CH2-CG 3.69Å; W38-Y40 HydrophobicContact CH2-CG 3.69Å; W38-Y40 AromaticContact CH2-CZ 3.57Å; W38-Y40 HydrophobicContact CZ2-CD1 4.12Å; W38-Y40 HydrophobicContact CZ2-CE1 4.35Å; W38-Y40 HydrophobicContact CZ2-CG 4.48Å; W38-Y40 HydrophobicContact CZ3-CD1 4.06Å; W38-Y40 AromaticContact CZ3-CD2 3.75Å; W38-Y40 HydrophobicContact CZ3-CD2 3.75Å; W38-Y40 AromaticContact CZ3-CE1 3.95Å; W38-Y40 HydrophobicContact CZ3-CE1 3.95Å; W38-Y40 AromaticContact CZ3-CE2 3.6Å; W38-Y40 HydrophobicContact CZ3-CE2 3.6Å; W38-Y40 AromaticContact CZ3-CG 3.96Å; W38-Y40 HydrophobicContact CZ3-CG 3.96Å; W38-Y40 AromaticContact CZ3-CZ 3.69Å; W38-G43 WeakPolarHBondContact CA-O 3.32Å; W38-G43 VanDerWaalsContact CD1-C 3.41Å; W38-P44 VanDerWaalsContact CD1-N 3.31Å; W38-L146 HydrophobicContact CB-CB 4.2Å; W38-L146 HydrophobicContact CB-CD1 3.99Å; W38-L146 HydrophobicContact CB-CD2 4.31Å; W38-L146 HydrophobicContact CB-CG 4.4Å; W38-I150 HydrophobicContact CD2-CD1 4.44Å; W38-I150 HydrophobicContact CZ2-CD1 4.01Å; W38-A183 WeakPolarHBondContact O-CA 3.35Å; W38-A183 WeakPolarHBondContact O-CB 3.49Å; W38-I184 HydrophobicContact CB-CB 4.4Å; W38-I184 HydrophobicContact CE3-CD1 3.87Å; W38-I184 HydrophobicContact CE3-CG1 4.28Å; W38-I184 HydrophobicContact CZ3-CD1 4.11Å; W38-I184 PolarHBondContact N-O 3.08Å; W38-I184 PolarHBondContact O-N 3.17Å
39N85.6Confident91.2Very high33 Ų3338.9 Ų38.918%0.17619%0.191CC..EExtended strand (participates in β ladder)trans-133.5155.7164.571.660.7000109.3I41 V42 G43 A183N39-I41 PolarHBondContact O-N 3.14Å; N39-I41 WeakPolarHBondContact OD1-CA 3.47Å; N39-I41 PolarHBondContact OD1-N 3.19Å; N39-V42 PolarHBondContact O-N 3.03Å; N39-V42 PolarHBondContact OD1-N 2.69Å; N39-G43 PolarHBondContact N-O 3.18Å; N39-G43 WeakPolarHBondContact O-CA 3.46Å; N39-G43 PolarHBondContact O-N 3.25Å; N39-A183 HydrophobicContact CB-CB 4.36Å
40Y80.2Confident91.5Very high195 Ų19538.7 Ų38.777%0.76519%0.189SC*.THydrogen-bonded Turntrans-58.7-15.8-175.6-73.6-86.1000115.2W38W38-Y40 AromaticContact CH2-CD1 3.37Å; W38-Y40 HydrophobicContact CH2-CD1 3.37Å; W38-Y40 AromaticContact CH2-CD2 3.95Å; W38-Y40 HydrophobicContact CH2-CD2 3.95Å; W38-Y40 AromaticContact CH2-CE1 3.33Å; W38-Y40 HydrophobicContact CH2-CE1 3.33Å; W38-Y40 AromaticContact CH2-CE2 3.88Å; W38-Y40 HydrophobicContact CH2-CE2 3.88Å; W38-Y40 AromaticContact CH2-CG 3.69Å; W38-Y40 HydrophobicContact CH2-CG 3.69Å; W38-Y40 AromaticContact CH2-CZ 3.57Å; W38-Y40 HydrophobicContact CZ2-CD1 4.12Å; W38-Y40 HydrophobicContact CZ2-CE1 4.35Å; W38-Y40 HydrophobicContact CZ2-CG 4.48Å; W38-Y40 HydrophobicContact CZ3-CD1 4.06Å; W38-Y40 AromaticContact CZ3-CD2 3.75Å; W38-Y40 HydrophobicContact CZ3-CD2 3.75Å; W38-Y40 AromaticContact CZ3-CE1 3.95Å; W38-Y40 HydrophobicContact CZ3-CE1 3.95Å; W38-Y40 AromaticContact CZ3-CE2 3.6Å; W38-Y40 HydrophobicContact CZ3-CE2 3.6Å; W38-Y40 AromaticContact CZ3-CG 3.96Å; W38-Y40 HydrophobicContact CZ3-CG 3.96Å; W38-Y40 AromaticContact CZ3-CZ 3.69Å
41I83Confident91.6Very high118 Ų11840.5 Ų40.561%0.60520%0.198SC*.THydrogen-bonded Turntrans-99-44.1-175.3-58.3-176.2000111.7N39N39-I41 PolarHBondContact O-N 3.14Å; N39-I41 WeakPolarHBondContact OD1-CA 3.47Å; N39-I41 PolarHBondContact OD1-N 3.19Å
42V82.8Confident91.6Very high88 Ų8837.7 Ų37.753%0.53319%0.185SC..THydrogen-bonded Turntrans-94.4-21.6-173.7-176.30000111.1N39N39-V42 PolarHBondContact O-N 3.03Å; N39-V42 PolarHBondContact OD1-N 2.69Å
43G85.9Confident91.5Very high17 Ų1737.7 Ų37.718%0.17519%0.19CC..EExtended strand (participates in β ladder)trans74.5-160-169.600000111.8W38 N39W38-G43 WeakPolarHBondContact CA-O 3.32Å; W38-G43 VanDerWaalsContact CD1-C 3.41Å; N39-G43 PolarHBondContact N-O 3.18Å; N39-G43 WeakPolarHBondContact O-CA 3.46Å; N39-G43 PolarHBondContact O-N 3.25Å
44P89.2Confident91.1Very high56 Ų5641.2 Ų41.236%0.36422%0.219SC..EExtended strand (participates in β ladder)trans-73.6129.9179.629.5-31.4000110.3V37 W38 M143 L146V37-P44 CarbonylContact O-C 3.54Å; V37-P44 WeakPolarHBondContact O-CA 3.31Å; W38-P44 VanDerWaalsContact CD1-N 3.31Å; P44-M143 HydrophobicContact CG-CG 4.31Å; P44-L146 HydrophobicContact CB-CB 4.41Å; P44-L146 HydrophobicContact CB-CD1 3.94Å
45E90.5Very high90.4Very high53 Ų5342.4 Ų42.425%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-131.4129.2-179.4-164.7-159.4154.900110.2K18 S36 V37 K47K18-E45 IonicContact NZ-OE1 2.87Å; K18-E45 PolarHBondContact NZ-OE1 3.49Å; S36-E45 CarbonylContact C-O 3.55Å; S36-E45 VanDerWaalsContact CA-O 3.3Å; S36-E45 WeakPolarHBondContact CA-O 3.39Å; S36-E45 WeakPolarHBondContact CB-O 3.31Å; V37-E45 HydrophobicContact CG1-CB 4.03Å; V37-E45 PolarHBondContact N-O 3.39Å; V37-E45 PolarHBondContact O-N 2.9Å; E45-K47 PolarHBondContact O-N 3.06Å; E45-K47 IonicContact OE1-NZ 3.55Å; E45-K47 IonicContact OE2-NZ 2.67Å; E45-K47 PolarHBondContact OE2-NZ 2.95Å
46L93.1Very high89.3Confident18 Ų1846.8 Ų46.89%0.09426%0.256CS..EExtended strand (participates in β ladder)trans-66.9120.3166.1179.664000109.4K18 V34 V49 D138 R139 A142K18-L46 WeakPolarHBondContact CD-O 3.08Å; K18-L46 PolarHBondContact NZ-O 3.34Å; V34-L46 HydrophobicContact CG1-CD1 3.52Å; L46-V49 HydrophobicContact CD1-CG2 3.75Å; L46-V49 HydrophobicContact CD2-CG2 4.1Å; L46-V49 HydrophobicContact CG-CG2 4.29Å; L46-D138 HydrophobicContact CD1-CB 4.39Å; L46-D138 HydrophobicContact CD2-CB 3.88Å; L46-R139 HydrophobicContact CD2-CG 4.15Å; L46-A142 HydrophobicContact CB-CB 4.23Å; L46-A142 HydrophobicContact CD1-CB 4.23Å
47K93.4Very high88Confident55 Ų5547.7 Ų47.724%0.23926%0.261CS..EExtended strand (participates in β ladder)trans-92.5-53.5178.6-73.6-50.4-150.2-156.50112.4K18 W35 V37 E45K18-K47 WeakPolarHBondContact CD-O 3.34Å; K18-K47 WeakPolarHBondContact CG-O 3.47Å; W35-K47 HydrophobicContact CD2-CB 3.71Å; W35-K47 HydrophobicContact CD2-CG 4.29Å; W35-K47 HydrophobicContact CE3-CB 3.62Å; W35-K47 HydrophobicContact CE3-CG 4.43Å; W35-K47 HydrophobicContact CG-CB 4.16Å; W35-K47 HydrophobicContact CZ2-CG 4.46Å; W35-K47 HydrophobicContact CZ3-CB 4.04Å; W35-K47 WeakPolarHBondContact O-CA 3.31Å; W35-K47 WeakPolarHBondContact O-CB 3.48Å; W35-K47 PolarHBondContact O-N 3.24Å; V37-K47 HydrophobicContact CB-CG 4.06Å; V37-K47 HydrophobicContact CG1-CD 3.82Å; V37-K47 HydrophobicContact CG1-CG 3.79Å; E45-K47 PolarHBondContact O-N 3.06Å; E45-K47 IonicContact OE1-NZ 3.55Å; E45-K47 IonicContact OE2-NZ 2.67Å; E45-K47 PolarHBondContact OE2-NZ 2.95Å
48F95.7Very high86.4Confident4 Ų453.7 Ų53.72%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-159.6151.1-174.8-153.6-102.3000111.5A12 K18 A20 W35 W50 L230A12-F48 HydrophobicContact CB-CE2 4.22Å; A12-F48 HydrophobicContact CB-CZ 3.9Å; K18-F48 CarbonylContact O-C 3.5Å; K18-F48 WeakPolarHBondContact O-CA 3.44Å; A20-F48 HydrophobicContact CB-CE1 3.59Å; A20-F48 HydrophobicContact CB-CZ 3.7Å; W35-F48 HydrophobicContact CE3-CB 4.02Å; W35-F48 PolarHBondContact N-O 2.92Å; W35-F48 PolarHBondContact O-N 2.77Å; F48-W50 HydrophobicContact CB-CH2 4.22Å; F48-W50 HydrophobicContact CB-CZ3 4.42Å; F48-W50 AromaticContact CD1-CD2 3.86Å; F48-W50 HydrophobicContact CD1-CD2 3.86Å; F48-W50 AromaticContact CD1-CE2 3.5Å; F48-W50 HydrophobicContact CD1-CE3 4.17Å; F48-W50 HydrophobicContact CD1-CG 4.49Å; F48-W50 AromaticContact CD1-CH2 3.84Å; F48-W50 HydrophobicContact CD1-CH2 3.84Å; F48-W50 AromaticContact CD1-CZ2 3.51Å; F48-W50 HydrophobicContact CD1-CZ2 3.51Å; F48-W50 HydrophobicContact CD1-CZ3 4.17Å; F48-W50 AromaticContact CD1-NE1 3.96Å; F48-W50 HydrophobicContact CE1-CD2 4.25Å; F48-W50 AromaticContact CE1-CE2 3.74Å; F48-W50 HydrophobicContact CE1-CZ2 4.04Å; F48-W50 AromaticContact CE1-NE1 3.68Å; F48-W50 HydrophobicContact CG-CH2 4.46Å; F48-W50 HydrophobicContact CG-CZ2 4.43Å; F48-L230 HydrophobicContact CB-CD2 3.88Å; F48-L230 HydrophobicContact CD1-CD2 3.91Å; F48-L230 HydrophobicContact CD2-CD1 4.05Å; F48-L230 HydrophobicContact CD2-CD2 3.92Å; F48-L230 HydrophobicContact CE1-CD2 4.39Å; F48-L230 HydrophobicContact CE2-CD1 4.02Å; F48-L230 HydrophobicContact CE2-CD2 4.42Å; F48-L230 HydrophobicContact CG-CD2 3.63Å
49V96.9Very high84.6Confident3 Ų352.6 Ų52.62%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-129.7133.6179.4-176.30000109K18 L19 A20 V33 V34 L46 D138K18-V49 PolarHBondContact O-N 3.19Å; L19-V49 CarbonylContact C-O 3.6Å; L19-V49 WeakPolarHBondContact CA-O 3.35Å; L19-V49 HydrophobicContact CD1-CB 3.7Å; L19-V49 HydrophobicContact CD1-CG1 3.6Å; A20-V49 PolarHBondContact N-O 3.46Å; V33-V49 CarbonylContact O-C 3.51Å; V33-V49 WeakPolarHBondContact O-CA 3.21Å; V34-V49 HydrophobicContact CG2-CG1 4.3Å; V34-V49 HydrophobicContact CG2-CG2 4.33Å; L46-V49 HydrophobicContact CD1-CG2 3.75Å; L46-V49 HydrophobicContact CD2-CG2 4.1Å; L46-V49 HydrophobicContact CG-CG2 4.29Å; V49-D138 HydrophobicContact CG2-CB 4.08Å
50W96.6Very high82.8Confident0 Ų057.5 Ų57.50%030%0.302CS..EExtended strand (participates in β ladder)trans-106.8114.5166.9-62.3-93.9000108.8A20 L22 R32 V33 W35 F48 L230 M233 T234 L237A20-W50 CarbonylContact O-C 3.47Å; A20-W50 WeakPolarHBondContact O-CA 3.42Å; L22-W50 HydrophobicContact CB-CB 4.43Å; L22-W50 HydrophobicContact CD2-CB 4.32Å; R32-W50 CarbonylContact C-O 3.59Å; R32-W50 VanDerWaalsContact CA-O 3.27Å; R32-W50 WeakPolarHBondContact CA-O 3.42Å; V33-W50 HydrophobicContact CB-CB 4.26Å; V33-W50 HydrophobicContact CB-CE3 4.04Å; V33-W50 HydrophobicContact CG1-CE3 4.01Å; V33-W50 HydrophobicContact CG1-CZ3 4.44Å; V33-W50 PolarHBondContact N-O 2.94Å; V33-W50 PolarHBondContact O-N 3.38Å; W35-W50 HydrophobicContact CB-CH2 4.26Å; W35-W50 HydrophobicContact CB-CZ3 3.81Å; W35-W50 HydrophobicContact CE3-CH2 4.43Å; F48-W50 HydrophobicContact CB-CH2 4.22Å; F48-W50 HydrophobicContact CB-CZ3 4.42Å; F48-W50 AromaticContact CD1-CD2 3.86Å; F48-W50 HydrophobicContact CD1-CD2 3.86Å; F48-W50 AromaticContact CD1-CE2 3.5Å; F48-W50 HydrophobicContact CD1-CE3 4.17Å; F48-W50 HydrophobicContact CD1-CG 4.49Å; F48-W50 AromaticContact CD1-CH2 3.84Å; F48-W50 HydrophobicContact CD1-CH2 3.84Å; F48-W50 AromaticContact CD1-CZ2 3.51Å; F48-W50 HydrophobicContact CD1-CZ2 3.51Å; F48-W50 HydrophobicContact CD1-CZ3 4.17Å; F48-W50 AromaticContact CD1-NE1 3.96Å; F48-W50 HydrophobicContact CE1-CD2 4.25Å; F48-W50 AromaticContact CE1-CE2 3.74Å; F48-W50 HydrophobicContact CE1-CZ2 4.04Å; F48-W50 AromaticContact CE1-NE1 3.68Å; F48-W50 HydrophobicContact CG-CH2 4.46Å; F48-W50 HydrophobicContact CG-CZ2 4.43Å; W50-L230 HydrophobicContact CH2-CD2 4.36Å; W50-L230 HydrophobicContact CZ2-CD2 4.13Å; W50-M233 HydrophobicContact CH2-CB 4.03Å; W50-M233 HydrophobicContact CH2-CE 3.59Å; W50-M233 HydrophobicContact CH2-SD 4.1Å; W50-M233 HydrophobicContact CZ2-CB 3.83Å; W50-M233 HydrophobicContact CZ3-CE 4.19Å; W50-T234 PolarHBondContact NE1-OG1 2.98Å; W50-L237 HydrophobicContact CD2-CD1 3.63Å; W50-L237 HydrophobicContact CE3-CD1 3.52Å; W50-L237 HydrophobicContact CG-CD1 4.32Å; W50-L237 HydrophobicContact CH2-CD1 3.99Å; W50-L237 HydrophobicContact CZ2-CD1 4.06Å; W50-L237 HydrophobicContact CZ3-CD1 3.71Å
51E95.4Very high81.3Confident41 Ų4153 Ų5319%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-91122.2172.8174.9177.4-126.900109.6L19 A20 K21 L22 R32 V53L19-E51 HydrophobicContact CD1-CB 3.92Å; A20-E51 PolarHBondContact O-N 3.37Å; K21-E51 WeakPolarHBondContact CA-O 3.38Å; K21-E51 WeakPolarHBondContact CE-OE2 3.43Å; L22-E51 PolarHBondContact N-O 2.91Å; R32-E51 IonicContact CZ-OE1 3.65Å; R32-E51 IonicContact NE-OE1 2.95Å; R32-E51 IonicContact NH2-OE1 2.59Å; R32-E51 PolarHBondContact NH2-OE1 2.92Å; E51-V53 HydrophobicContact CG-CG1 4.16Å; E51-V53 PolarHBondContact O-N 2.74Å
52V94.2Very high79Confident16 Ų1652.1 Ų52.110%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-76121.9-179.5-176.20000109.1V24 F27 E31 L241V24-V52 HydrophobicContact CB-CG1 4.2Å; V24-V52 HydrophobicContact CG2-CG1 3.94Å; F27-V52 HydrophobicContact CD1-CG1 4Å; F27-V52 HydrophobicContact CE1-CG1 4.08Å; E31-V52 WeakPolarHBondContact O-CB 3.33Å; E31-V52 WeakPolarHBondContact O-CG2 3.42Å; E31-V52 PolarHBondContact O-N 3.03Å; V52-L241 HydrophobicContact CG2-CD1 3.75Å; V52-L241 HydrophobicContact CG2-CD2 4.11Å
53V93.1Very high76.5Confident39 Ų3952.4 Ų52.424%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-124.9160.6178.7-59.80000111.2K21 L22 P23 V24 E51 G55K21-V53 HydrophobicContact CB-CG1 4.13Å; K21-V53 HydrophobicContact CB-CG2 4.01Å; K21-V53 HydrophobicContact CD-CG1 4.25Å; K21-V53 HydrophobicContact CG-CG1 4.16Å; L22-V53 PolarHBondContact O-N 3.28Å; P23-V53 WeakPolarHBondContact CA-O 3.46Å; P23-V53 HydrophobicContact CB-CG2 4.26Å; V24-V53 PolarHBondContact N-O 3.24Å; E51-V53 HydrophobicContact CG-CG1 4.16Å; E51-V53 PolarHBondContact O-N 2.74Å; V53-G55 PolarHBondContact O-N 3.01Å
54A87.8Confident73.7Confident74 Ų7456.9 Ų56.961%0.61232%0.315SS*.EExtended strand (participates in β ladder)trans-69.3127.8176.600000108.8F27F27-A54 HydrophobicContact CE2-CB 3.49Å; F27-A54 VanDerWaalsContact CE2-CB 3.49Å; F27-A54 HydrophobicContact CZ-CB 3.46Å; F27-A54 VanDerWaalsContact CZ-CB 3.46Å
55G82.4Confident70.7Confident26 Ų2660.2 Ų60.227%0.26834%0.336SS..  trans171.3162.2171.300000112.2P23 V24 R25 V53P23-G55 CarbonylContact C-O 3.52Å; V24-G55 CarbonylContact C-O 3.58Å; V24-G55 WeakPolarHBondContact CA-O 3.48Å; V24-G55 PolarHBondContact N-O 3.04Å; R25-G55 VanDerWaalsContact CA-O 3.32Å; R25-G55 WeakPolarHBondContact CA-O 3.44Å; R25-G55 PolarHBondContact N-O 2.68Å; V53-G55 PolarHBondContact O-N 3.01Å
56D73.9Confident67.9Low110 Ų11060.5 Ų60.559%0.58835%0.348SS*.  trans-98.4102.3176.7-71.5-33.3000108.8R25R25-D56 WeakPolarHBondContact CB-OD1 3.45Å; R25-D56 WeakPolarHBondContact CD-OD1 3.26Å; R25-D56 WeakPolarHBondContact CG-OD1 3.4Å; R25-D56 IonicContact NE-OD1 3.4Å
57L66.6Low64.9Low19 Ų1963.7 Ų63.710%0.09938%0.377CS..  trans-97.7105163.3-157.268.9000107E4 V5 I8 L22 P23 T59E4-L57 HydrophobicContact CB-CD1 3.81Å; E4-L57 WeakPolarHBondContact OE2-CD1 3.41Å; V5-L57 HydrophobicContact CG2-CD2 4.16Å; I8-L57 HydrophobicContact CD1-CD1 3.94Å; I8-L57 HydrophobicContact CD1-CD2 3.79Å; L22-L57 HydrophobicContact CD1-CD2 4.28Å; P23-L57 HydrophobicContact CG-CB 4.13Å; P23-L57 HydrophobicContact CG-CD1 4.1Å; P23-L57 HydrophobicContact CG-CG 4.5Å; P23-L57 WeakPolarHBondContact O-CB 3.13Å; L57-T59 HydrophobicContact CD2-CG2 3.9Å; L57-T59 HydrophobicContact CG-CG2 3.91Å; L57-T59 PolarHBondContact O-N 3.05Å
58E57.5Low61.8Low130 Ų13068.8 Ų68.861%0.60741%0.407SS*.  trans-78.962.4-179.7-69.6-158.4154.400111.2Y60E58-Y60 PolarHBondContact O-N 2.96Å
59T52.9Low58.6Low9 Ų977.3 Ų77.36%0.05545%0.447CS..  trans-82.983.3171.962.90000111.8E2 V5 L57 N238E2-T59 VanDerWaalsContact OE1-CA 3.32Å; E2-T59 WeakPolarHBondContact OE1-CA 3.48Å; E2-T59 WeakPolarHBondContact OE2-CA 3.04Å; E2-T59 WeakPolarHBondContact OE2-CB 3.39Å; E2-T59 WeakPolarHBondContact OE2-CG2 3.3Å; V5-T59 HydrophobicContact CG2-CG2 3.59Å; L57-T59 HydrophobicContact CD2-CG2 3.9Å; L57-T59 HydrophobicContact CG-CG2 3.91Å; L57-T59 PolarHBondContact O-N 3.05Å; T59-N238 PolarHBondContact OG1-ND2 3.05Å
60Y46.7Very low55.3Low137 Ų13783.4 Ų83.454%0.53749%0.488SS..  trans-95.4117.9164.3-74.5-80000109.4E58 T62E58-Y60 PolarHBondContact O-N 2.96Å; Y60-T62 PolarHBondContact O-N 3.2Å; Y60-T62 PolarHBondContact O-OG1 2.98Å
61R50Low52.1Low101 Ų10188.5 Ų88.538%0.38152%0.524SS..  trans-64.364.1163.1-75.8-172179.1176.33.4111.1E236R61-E236 IonicContact CZ-OE1 3.64Å; R61-E236 IonicContact CZ-OE2 2.89Å; R61-E236 IonicContact NH2-OE1 3.79Å; R61-E236 PolarHBondContact NH2-OE1 2.86Å; R61-E236 IonicContact NH2-OE2 3.38Å; R61-E236 PolarHBondContact NH2-OE2 2.99Å; R61-E236 VanDerWaalsContact NH2-OE2 3.07Å
62T35Very low49Very low98 Ų9891.3 Ų91.360%0.60155%0.554SS**  trans-97.293.2164.7470000107.5Y60Y60-T62 PolarHBondContact O-N 3.2Å; Y60-T62 PolarHBondContact O-OG1 2.98Å
63C29.6Very low46.2Very low94 Ų9499.5 Ų99.564%0.63559%0.591SS**  trans-57.5132.5154.4-74.10000106.9
64P26.4Very low43.2Very low111 Ų111103.4 Ų103.472%0.72162%0.62SS**  trans-58.6149.9176.419.9-24.2000109.6A66P64-A66 PolarHBondContact O-N 3.02Å
65P27.2Very low40.6Very low126 Ų126105.3 Ų105.382%0.81863%0.629SS**  trans-61.2108.9174.626.2-30.5000107.3A67P65-A67 PolarHBondContact O-N 2.87Å; P65-A67 VanDerWaalsContact O-N 3.07Å
66A31.8Very low38Very low60 Ų60111.2 Ų111.250%0.49666%0.655SS.*  trans-61.5115.3169.500000107P64 N68 R361P64-A66 PolarHBondContact O-N 3.02Å; A66-N68 PolarHBondContact O-N 3.1Å; A66-R361 VanDerWaalsContact CB-NH2 3.31Å
67A30.5Very low36Very low85 Ų85112.3 Ų112.370%0.70267%0.669SS**  trans-44.5136.217500000110.7P65 E69P65-A67 PolarHBondContact O-N 2.87Å; P65-A67 VanDerWaalsContact O-N 3.07Å; A67-E69 PolarHBondContact O-N 3.41Å
68N27.3Very low34.2Very low162 Ų162117 Ų11787%0.86670%0.698SS**  trans-58.5101.5167.1-95.4-15.6000108.7A66A66-N68 PolarHBondContact O-N 3.1Å
69E28.8Very low32.9Very low182 Ų182119.4 Ų119.485%0.8571%0.709SS**  trans-110.6100.9150.6-73.3-170.5173.700107.4A67A67-E69 PolarHBondContact O-N 3.41Å
70C26.9Very low31.9Very low132 Ų132123.1 Ų123.189%0.89274%0.736SS**  trans-82.7104.6171.7-157.40000106.3
71S30.8Very low31.3Very low107 Ų107124.6 Ų124.675%0.74875%0.748SS**  trans-137.4103.8162.651.60000107.8E73S71-E73 PolarHBondContact O-N 3.16Å
72A29.9Very low30.7Very low99 Ų99126.5 Ų126.582%0.81877%0.765SS**  trans-71.2113169.900000108.3
73E34Very low30.8Very low189 Ų189125.9 Ų125.988%0.88376%0.761SS**  trans-139.8117.9155-71.8-165.1161.900109.6S71S71-E73 PolarHBondContact O-N 3.16Å
74S30.2Very low31.2Very low121 Ų121126.7 Ų126.785%0.84676%0.759SS**  trans-59.7131164.147.20000111
75S33.8Very low31.5Very low114 Ų114128.7 Ų128.780%0.79776%0.758SS**  trans-164.7127.6147.4-175.70000110.1
76D28.3Very low31.8Very low150 Ų150125.6 Ų125.680%0.80274%0.744SS**  trans-50.7140.4166.9-63.9-55.3000111.6
77C32.3Very low32.2Very low133 Ų133124.2 Ų124.290%0.89973%0.729SS**  trans-149.3117.1151-92.50000110
78V29.1Very low32.6Very low116 Ų116123.7 Ų123.770%0.70372%0.721SS**  trans-73.2161.2175.6163.40000110
79E28.3Very low33.2Very low181 Ų181118.6 Ų118.685%0.84670%0.701SS**  trans78.698.4161.9-82.1159.7-146.200119.8
80S33.7Very low33.8Very low87 Ų87119.4 Ų119.461%0.60870%0.696SS**  trans-161.159.5138.964.70000112N82S80-N82 VanDerWaalsContact C-N 3.27Å; S80-N82 PolarHBondContact O-N 3.13Å
81E33.8Very low34.5Very low168 Ų168115.8 Ų115.879%0.78567%0.667SS**THydrogen-bonded Turntrans-72-18.6174-78.7-174.8143.400113V83E81-V83 PolarHBondContact O-N 2.97Å
82N36.1Very low34.7Very low141 Ų141113.1 Ų113.175%0.75465%0.649SS**Hα-helixtrans-82.8-10.4-174.6-66.2-19.9000115.1S80S80-N82 VanDerWaalsContact C-N 3.27Å; S80-N82 PolarHBondContact O-N 3.13Å
83V38.1Very low35Very low85 Ų85111 Ų11152%0.51563%0.628SS.*Hα-helixtrans-92-21176.3-176.50000111.6E81 T87E81-V83 PolarHBondContact O-N 2.97Å; V83-T87 PolarHBondContact O-N 3.01Å; V83-T87 PolarHBondContact O-OG1 3.27Å
84L37Very low35.1Very low112 Ų112105.1 Ų105.159%0.58661%0.612SS**Hα-helixtrans-67.7-35.7177.1-96.1130.6000112.3S88L84-S88 WeakPolarHBondContact O-CB 3.3Å; L84-S88 PolarHBondContact O-N 3.24Å
85E32.6Very low35.2Very low152 Ų152102.9 Ų102.971%0.7160%0.596SS**Hα-helixtrans-70.2-43.7-179.5-111179.416600113.2T87 S88 A89E85-T87 VanDerWaalsContact C-N 3.33Å; E85-T87 PolarHBondContact O-N 3.3Å; E85-S88 PolarHBondContact O-N 3.28Å; E85-A89 VanDerWaalsContact O-CB 3.31Å; E85-A89 WeakPolarHBondContact O-CB 3.21Å; E85-A89 PolarHBondContact O-N 3.08Å
86A34.5Very low35.1Very low62 Ų62102.1 Ų102.151%0.51259%0.587SS.*Hα-helixtrans-69-32.3179.600000112.7R90A86-R90 PolarHBondContact O-N 2.94Å
87T40.1Very low35.3Very low31 Ų3197.9 Ų97.919%0.1957%0.569CS.*Hα-helixtrans-79.8-37.5178.5-41.50000111.2V83 E85 A89 R90 L91V83-T87 PolarHBondContact O-N 3.01Å; V83-T87 PolarHBondContact O-OG1 3.27Å; E85-T87 VanDerWaalsContact C-N 3.33Å; E85-T87 PolarHBondContact O-N 3.3Å; T87-A89 VanDerWaalsContact C-N 3.34Å; T87-R90 PolarHBondContact O-N 3.42Å; T87-L91 HydrophobicContact CG2-CD1 4.12Å; T87-L91 WeakPolarHBondContact O-CB 3.2Å; T87-L91 VanDerWaalsContact O-CG 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.42Å; T87-L91 PolarHBondContact O-N 2.89Å
88S39.1Very low35.2Very low74 Ų7498.1 Ų98.152%0.51756%0.561SS.*Hα-helixtrans-67-34.4172.8-157.10000111.6L84 E85 S92L84-S88 WeakPolarHBondContact O-CB 3.3Å; L84-S88 PolarHBondContact O-N 3.24Å; E85-S88 PolarHBondContact O-N 3.28Å; S88-S92 WeakPolarHBondContact O-CA 3.27Å; S88-S92 WeakPolarHBondContact O-CB 3.43Å; S88-S92 PolarHBondContact O-N 3.24Å; S88-S92 PolarHBondContact O-OG 3.13Å
89A40.3Very low35Very low55 Ų5596.2 Ų96.246%0.45556%0.557SS.*Hα-helixtrans-67.3-37.5172.100000113.3E85 T87 S92 S93E85-A89 VanDerWaalsContact O-CB 3.31Å; E85-A89 WeakPolarHBondContact O-CB 3.21Å; E85-A89 PolarHBondContact O-N 3.08Å; T87-A89 VanDerWaalsContact C-N 3.34Å; A89-S92 VanDerWaalsContact CA-OG 3.3Å; A89-S92 WeakPolarHBondContact CA-OG 3.33Å; A89-S92 PolarHBondContact O-OG 2.89Å; A89-S93 WeakPolarHBondContact O-CB 3.14Å; A89-S93 PolarHBondContact O-N 3.11Å
90R41.8Very low34.9Very low199 Ų19996.4 Ų96.475%0.75156%0.563SS**Hα-helixtrans-73.2-41.9175.4-78-178.5172.1-173.6-2112.1A86 T87 S93 A94A86-R90 PolarHBondContact O-N 2.94Å; T87-R90 PolarHBondContact O-N 3.42Å; R90-S93 PolarHBondContact O-N 3.14Å; R90-S93 PolarHBondContact O-OG 3.35Å; R90-A94 PolarHBondContact O-N 3Å; R90-A94 VanDerWaalsContact O-N 3.15Å
91L39.8Very low34.5Very low55 Ų5595.7 Ų95.729%0.28857%0.569SS.*Hα-helixtrans-68.6-37.3174.7-73.1166.9000111.9T87 A94 S95 L346T87-L91 HydrophobicContact CG2-CD1 4.12Å; T87-L91 WeakPolarHBondContact O-CB 3.2Å; T87-L91 VanDerWaalsContact O-CG 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.42Å; T87-L91 PolarHBondContact O-N 2.89Å; L91-A94 CarbonylContact O-C 3.52Å; L91-A94 PolarHBondContact O-N 3.48Å; L91-S95 WeakPolarHBondContact O-CB 3.33Å; L91-S95 PolarHBondContact O-N 3.25Å; L91-S95 PolarHBondContact O-OG 2.93Å; L91-L346 HydrophobicContact CD1-CD1 4.47Å
92S35.3Very low34.1Very low52 Ų5295.6 Ų95.636%0.36457%0.568SS.*Hα-helixtrans-68.2-36.717367.60000110.6S88 A89 A94 S95 T96S88-S92 WeakPolarHBondContact O-CA 3.27Å; S88-S92 WeakPolarHBondContact O-CB 3.43Å; S88-S92 PolarHBondContact O-N 3.24Å; S88-S92 PolarHBondContact O-OG 3.13Å; A89-S92 VanDerWaalsContact CA-OG 3.3Å; A89-S92 WeakPolarHBondContact CA-OG 3.33Å; A89-S92 PolarHBondContact O-OG 2.89Å; S92-A94 PolarHBondContact O-N 3.35Å; S92-S95 CarbonylContact O-C 3.45Å; S92-S95 PolarHBondContact O-N 3.5Å; S92-S95 VanDerWaalsContact O-N 3.1Å; S92-T96 WeakPolarHBondContact O-CA 2.9Å; S92-T96 WeakPolarHBondContact O-CB 3.49Å; S92-T96 VanDerWaalsContact O-CG2 3.28Å; S92-T96 WeakPolarHBondContact O-CG2 3.42Å; S92-T96 PolarHBondContact O-N 3.37Å; S92-T96 PolarHBondContact O-OG1 3.05Å
93S37Very low33.7Very low54 Ų5495.1 Ų95.138%0.37857%0.57SS.*Hα-helixtrans-67.3-20.3172.582.60000114.7A89 R90 T96A89-S93 WeakPolarHBondContact O-CB 3.14Å; A89-S93 PolarHBondContact O-N 3.11Å; R90-S93 PolarHBondContact O-N 3.14Å; R90-S93 PolarHBondContact O-OG 3.35Å; S93-T96 WeakPolarHBondContact CA-OG1 3.39Å
94A35.3Very low33.2Very low66 Ų6696.6 Ų96.655%0.54557%0.572SS.*Hα-helixtrans-91.5-20.5171.800000112.6R90 L91 S92R90-A94 PolarHBondContact O-N 3Å; R90-A94 VanDerWaalsContact O-N 3.15Å; L91-A94 CarbonylContact O-C 3.52Å; L91-A94 PolarHBondContact O-N 3.48Å; S92-A94 PolarHBondContact O-N 3.35Å
95S33.4Very low32.9Very low73 Ų7399.8 Ų99.851%0.5158%0.583SS.*Hα-helixtrans-102-18.2-179.3-51.90000113.5L91 S92 S97 L98L91-S95 WeakPolarHBondContact O-CB 3.33Å; L91-S95 PolarHBondContact O-N 3.25Å; L91-S95 PolarHBondContact O-OG 2.93Å; S92-S95 CarbonylContact O-C 3.45Å; S92-S95 PolarHBondContact O-N 3.5Å; S92-S95 VanDerWaalsContact O-N 3.1Å; S95-S97 PolarHBondContact O-N 3.5Å; S95-L98 PolarHBondContact O-N 2.93Å; S95-L98 VanDerWaalsContact O-N 3.1Å
96T31Very low32.5Very low99 Ų9999 Ų9961%0.60758%0.584SS**THydrogen-bonded Turntrans-77.71.5179.338.70000113.5S92 S93S92-T96 WeakPolarHBondContact O-CA 2.9Å; S92-T96 WeakPolarHBondContact O-CB 3.49Å; S92-T96 VanDerWaalsContact O-CG2 3.28Å; S92-T96 WeakPolarHBondContact O-CG2 3.42Å; S92-T96 PolarHBondContact O-N 3.37Å; S92-T96 PolarHBondContact O-OG1 3.05Å; S93-T96 WeakPolarHBondContact CA-OG1 3.39Å
97S32.2Very low32.2Very low61 Ų61105.7 Ų105.743%0.42760%0.602SS.*THydrogen-bonded Turntrans-83.15.3162.11180000113S95S95-S97 PolarHBondContact O-N 3.5Å
98L30.1Very low31.6Very low138 Ų138115.3 Ų115.372%0.72364%0.635SS**  trans-129.370.8174.2-75.3165000109.1S95S95-L98 PolarHBondContact O-N 2.93Å; S95-L98 VanDerWaalsContact O-N 3.1Å
99A25.9Very low31Very low75 Ų75116.6 Ų116.662%0.6264%0.644SS**  trans-121.6125.2165.700000108.6
100L26.3Very low30.4Very low186 Ų186118.5 Ų118.597%0.97466%0.659SS**  trans83.9111.4161.2-56163.4000117.4
101G25.5Very low29.7Very low71 Ų71115.7 Ų115.773%0.73266%0.659SS**  trans16563.6167.500000112.9V103G101-V103 PolarHBondContact O-N 2.89Å; G101-V103 VanDerWaalsContact O-N 3.16Å
102E25.4Very low29.2Very low166 Ų166121.7 Ų121.778%0.77669%0.686SS**  trans-63.3102.3158.3-69-179.4144.300108
103V27.3Very low28.7Very low132 Ų132125.6 Ų125.680%0.871%0.712SS**  trans-149.3124.2163.6-169.40000111.2G101G101-V103 PolarHBondContact O-N 2.89Å; G101-V103 VanDerWaalsContact O-N 3.16Å
104E27Very low28.2Very low116 Ų116128.3 Ų128.354%0.54273%0.728SS.*  trans-30.8128.6174.8-62.3166.3156.800117.8N106E104-N106 PolarHBondContact O-N 3.1Å; E104-N106 VanDerWaalsContact O-N 3.16Å
105H31.3Very low27.8Very low178 Ų178132.5 Ų132.582%0.82474%0.74SS**  trans-74.595.8158.3-99.1-76.6000109.3F107H105-F107 PolarHBondContact O-N 3.46Å; H105-F107 VanDerWaalsContact O-N 3.11Å
106N25.1Very low27.7Very low137 Ų137138.1 Ų138.173%0.73376%0.758SS**  trans-73.393.5162.4-89.3-39000109.4E104 R108E104-N106 PolarHBondContact O-N 3.1Å; E104-N106 VanDerWaalsContact O-N 3.16Å; N106-R108 PolarHBondContact O-N 3.45Å
107F28.3Very low27.6Very low201 Ų201140.3 Ų140.388%0.88277%0.765SS**  trans-68.188.6156.7-103.9-87.3000107.8H105 S109H105-F107 PolarHBondContact O-N 3.46Å; H105-F107 VanDerWaalsContact O-N 3.11Å; F107-S109 PolarHBondContact O-N 2.76Å
108R26.8Very low27.4Very low233 Ų233141 Ų14188%0.87978%0.782SS**  trans-72.9106161.4-107.2-175.2175.5-169.2-1.6107.7N106 A110N106-R108 PolarHBondContact O-N 3.45Å; R108-A110 PolarHBondContact O-N 2.82Å
109S25.6Very low27.3Very low102 Ų102141.5 Ų141.571%0.71378%0.784SS**  trans-46.3115.5154.9-176.80000108.8F107F107-S109 PolarHBondContact O-N 2.76Å
110A29.2Very low27.7Very low94 Ų94145.9 Ų145.978%0.77780%0.797SS**  trans-121.178.7163.100000107R108R108-A110 PolarHBondContact O-N 2.82Å
111N25.4Very low28.1Very low140 Ų140142.9 Ų142.975%0.74979%0.787SS**  trans-47.4128.2137.7-84.2-21.1000107.9
112E30Very low28.4Very low182 Ų182143.5 Ų143.585%0.8579%0.785SS**  trans152.788.4145.1-83.4171.5-166.600109.3
113C25.1Very low28.7Very low134 Ų134144.7 Ų144.791%0.90579%0.79SS**  trans-69.5134.9144.1-88.40000107.6
114P26.1Very low28.7Very low111 Ų111141.7 Ų141.772%0.72179%0.786SS**  trans-119.5128.61345.315000109.8E116P114-E116 PolarHBondContact O-N 3.22Å
115L26.6Very low28.9Very low153 Ų153143.8 Ų143.880%0.80180%0.801SS**  trans-45.3125.1155.2-77.3120.6000109.9
116E31.4Very low28.9Very low191 Ų191143.4 Ų143.489%0.89380%0.803SS**  trans-124.8111148-77.4-160.2162.500109.7P114 G118P114-E116 PolarHBondContact O-N 3.22Å; E116-G118 PolarHBondContact O-N 2.9Å
117I28.8Very low29.4Very low145 Ų145146.9 Ų146.974%0.74481%0.806SS**  trans-70.9100.8165.9-65.5161.6000105.7
118G29Very low30Very low76 Ų76145.5 Ų145.578%0.78480%0.802SS**  trans-106.989.2168.700000109.7E116 D120E116-G118 PolarHBondContact O-N 2.9Å; G118-D120 PolarHBondContact O-N 3.44Å
119L28Very low30.8Very low148 Ų148140.3 Ų140.378%0.77579%0.788SS**  trans-68.5114.3159.2-92.4148.8000107.1
120D34.6Very low31.9Very low167 Ų167141.2 Ų141.289%0.89378%0.781SS**  trans-133.9136.2155-103.5-28.4000111.2G118G118-D120 PolarHBondContact O-N 3.44Å
121V33.8Very low33.7Very low124 Ų124142.8 Ų142.875%0.75278%0.776SS**  trans-95.8142.2-163.9164.90000109.5
122A30.8Very low35.9Very low83 Ų83138.1 Ų138.169%0.68675%0.748SS**  trans67.1134.5161.900000115
123E32.1Very low38.2Very low191 Ų191133.7 Ų133.789%0.89373%0.73SS**  cis-171.5142.345.2-130.8159.1-14400108.4
124G28.1Very low41Very low69 Ų69128.4 Ų128.471%0.71170%0.698SS**  trans32104154.800000121
125N31.2Very low43.7Very low161 Ų161128.3 Ų128.386%0.86169%0.688SS**  -173.4129.7116.2-101.4-32000111R127N125-R127 VanDerWaalsContact C-N 3.27Å; N125-R127 PolarHBondContact O-N 3.21Å
126I31.4Very low46.6Very low170 Ų170126.2 Ų126.287%0.87268%0.677SS**  trans-6488.5170.3-60.2167000107.1Q128I126-Q128 PolarHBondContact O-N 3.41Å; I126-Q128 VanDerWaalsContact O-N 3.16Å
127R35.4Very low49.5Very low210 Ų210117.2 Ų117.279%0.79264%0.635SS**  trans-72.4103.3164.9-80-172.7172.3-172.7-1.2106.8N125 E129N125-R127 VanDerWaalsContact C-N 3.27Å; N125-R127 PolarHBondContact O-N 3.21Å; R127-E129 PolarHBondContact O-N 2.95Å
128Q40.5Very low52.5Low171 Ų171110.8 Ų110.880%0.79960%0.603SS**  trans-41.7131.5163.2-80.7172.2-39.500108.8I126 Q130I126-Q128 PolarHBondContact O-N 3.41Å; I126-Q128 VanDerWaalsContact O-N 3.16Å; Q128-Q130 PolarHBondContact O-N 2.93Å
129E42.6Very low55.4Low124 Ų124113.8 Ų113.858%0.57959%0.59SS**  trans-58.298.9175.7-55.7-163.9117.500108.7R127 L131 R166R127-E129 PolarHBondContact O-N 2.95Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 HydrophobicContact CB-CD1 4.3Å; E129-L131 PolarHBondContact O-N 3.49Å; E129-R166 IonicContact OE1-CZ 2.62Å; E129-R166 VanDerWaalsContact OE1-CZ 3.27Å; E129-R166 IonicContact OE1-NH1 3.82Å; E129-R166 PolarHBondContact OE1-NH1 3.43Å; E129-R166 IonicContact OE1-NH2 3.81Å; E129-R166 PolarHBondContact OE1-NH2 3.03Å; E129-R166 IonicContact OE2-NH1 3.49Å
130Q50.1Low58.4Low121 Ų121109.2 Ų109.257%0.56556%0.563SS**  trans-68.898.4172-78.1-175-16.300107.1Q128Q128-Q130 PolarHBondContact O-N 2.93Å
131L66Low61Low127 Ų127101.3 Ų101.367%0.66552%0.521SS*.  trans-69.4161.3165.7-94.186.6000109.7E129 N133E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 HydrophobicContact CB-CD1 4.3Å; E129-L131 PolarHBondContact O-N 3.49Å; L131-N133 PolarHBondContact O-N 3.48Å; L131-N133 PolarHBondContact O-OD1 3.01Å
132Y73.2Confident63.7Low43 Ų4395.5 Ų95.517%0.16949%0.486CS..  trans-49.6120.3175.3-165.5-90.7000111.6R32 G134 D137 D138 I141 F167 V190R32-Y132 VanDerWaalsContact CZ-CE1 3.48Å; Y132-G134 VanDerWaalsContact C-N 3.28Å; Y132-G134 VanDerWaalsContact CD1-N 3.28Å; Y132-G134 PolarHBondContact O-N 3Å; Y132-D137 VanDerWaalsContact CA-OD2 3.25Å; Y132-D137 WeakPolarHBondContact CA-OD2 3.36Å; Y132-D137 HydrophobicContact CD1-CB 4.33Å; Y132-D137 HydrophobicContact CD2-CB 4.02Å; Y132-D137 HydrophobicContact CE1-CB 3.95Å; Y132-D137 HydrophobicContact CE2-CB 3.62Å; Y132-D137 HydrophobicContact CG-CB 4.37Å; Y132-D138 PolarHBondContact OH-OD1 2.98Å; Y132-I141 HydrophobicContact CE2-CD1 4.23Å; Y132-F167 AromaticContact CD2-CD1 3.77Å; Y132-F167 HydrophobicContact CD2-CD1 3.77Å; Y132-F167 HydrophobicContact CD2-CE1 4Å; Y132-F167 HydrophobicContact CD2-CG 4.39Å; Y132-F167 HydrophobicContact CE2-CD1 4.07Å; Y132-F167 HydrophobicContact CE2-CE1 4.06Å; Y132-F167 HydrophobicContact CE2-CG 4.45Å; Y132-F167 HydrophobicContact CE2-CZ 4.45Å; Y132-V190 HydrophobicContact CE2-CG1 3.84Å
133N77Confident66.4Low89 Ų8995.6 Ų95.648%0.47647%0.473SS..  trans-8816.4-174-73.1-29.9000113.6L131 E135 D136 D137L131-N133 PolarHBondContact O-N 3.48Å; L131-N133 PolarHBondContact O-OD1 3.01Å; N133-E135 PolarHBondContact O-N 2.84Å; N133-D136 HydrophobicContact CB-CB 4.29Å; N133-D137 PolarHBondContact N-OD2 3.04Å
134G83.3Confident68.9Low22 Ų2289.7 Ų89.723%0.22745%0.445CS..THydrogen-bonded Turntrans67.7-117.4174.700000111.9Y132 D136 D137 D138Y132-G134 VanDerWaalsContact C-N 3.28Å; Y132-G134 VanDerWaalsContact CD1-N 3.28Å; Y132-G134 PolarHBondContact O-N 3Å; G134-D136 VanDerWaalsContact C-N 3.3Å; G134-D136 PolarHBondContact O-N 3.36Å; G134-D137 PolarHBondContact O-N 2.77Å; G134-D137 VanDerWaalsContact O-N 3.09Å; G134-D138 VanDerWaalsContact O-CG 3.28Å; G134-D138 PolarHBondContact O-N 2.93Å
135E83.9Confident71.5Confident110 Ų11086.7 Ų86.751%0.51441%0.413SS..Hα-helixtrans-61.1-34.7-173-171.5177.5-176.800113.3N133 D137 D138 R139N133-E135 PolarHBondContact O-N 2.84Å; E135-D137 VanDerWaalsContact C-N 3.32Å; E135-D137 PolarHBondContact O-N 3.42Å; E135-D138 PolarHBondContact O-N 2.72Å; E135-R139 HydrophobicContact CG-CG 4.42Å; E135-R139 WeakPolarHBondContact O-CB 3.5Å; E135-R139 VanDerWaalsContact O-CG 3.32Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 2.9Å; E135-R139 IonicContact OE1-CZ 3.96Å; E135-R139 VanDerWaalsContact OE1-CZ 3.24Å; E135-R139 IonicContact OE1-NE 3.63Å; E135-R139 PolarHBondContact OE1-NE 3.43Å; E135-R139 IonicContact OE1-NH2 3.76Å; E135-R139 PolarHBondContact OE1-NH2 3.09Å
136D88Confident73.8Confident108 Ų10879 Ų7958%0.57837%0.372SS*.Hα-helixtrans-64.4-39.6177.1-78-17.6000111.4N133 G134 Y140N133-D136 HydrophobicContact CB-CB 4.29Å; G134-D136 VanDerWaalsContact C-N 3.3Å; G134-D136 PolarHBondContact O-N 3.36Å; D136-Y140 VanDerWaalsContact O-CB 3.23Å; D136-Y140 WeakPolarHBondContact O-CB 3.1Å; D136-Y140 PolarHBondContact O-N 2.67Å
137D91.1Very high75.9Confident2 Ų273.1 Ų73.11%0.01135%0.345CS..Hα-helixtrans-72.5-40175.1-76.4-26.1000111.4Y132 N133 G134 E135 R139 Y140 I141 R165 F167Y132-D137 VanDerWaalsContact CA-OD2 3.25Å; Y132-D137 WeakPolarHBondContact CA-OD2 3.36Å; Y132-D137 HydrophobicContact CD1-CB 4.33Å; Y132-D137 HydrophobicContact CD2-CB 4.02Å; Y132-D137 HydrophobicContact CE1-CB 3.95Å; Y132-D137 HydrophobicContact CE2-CB 3.62Å; Y132-D137 HydrophobicContact CG-CB 4.37Å; N133-D137 PolarHBondContact N-OD2 3.04Å; G134-D137 PolarHBondContact O-N 2.77Å; G134-D137 VanDerWaalsContact O-N 3.09Å; E135-D137 VanDerWaalsContact C-N 3.32Å; E135-D137 PolarHBondContact O-N 3.42Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 3.16Å; D137-Y140 WeakPolarHBondContact O-CB 3.48Å; D137-Y140 PolarHBondContact O-N 3.45Å; D137-I141 WeakPolarHBondContact O-CB 3.16Å; D137-I141 WeakPolarHBondContact O-CD1 3.01Å; D137-I141 WeakPolarHBondContact O-CG1 3.21Å; D137-I141 PolarHBondContact O-N 3.16Å; D137-R165 WeakPolarHBondContact OD1-CD 3.23Å; D137-R165 IonicContact OD1-CZ 2.9Å; D137-R165 IonicContact OD1-NE 2.67Å; D137-R165 IonicContact OD1-NH1 3.24Å; D137-R165 PolarHBondContact OD1-NH1 3.21Å; D137-F167 HydrophobicContact CB-CE1 4.2Å; D137-F167 HydrophobicContact CB-CZ 4.36Å
138D91.8Very high77.3Confident10 Ų1065.2 Ų65.25%0.05332%0.322CS..Hα-helixtrans-59.8-43176.5-63.1-28.7000111.3L46 V49 Y132 G134 E135 A142L46-D138 HydrophobicContact CD1-CB 4.39Å; L46-D138 HydrophobicContact CD2-CB 3.88Å; V49-D138 HydrophobicContact CG2-CB 4.08Å; Y132-D138 PolarHBondContact OH-OD1 2.98Å; G134-D138 VanDerWaalsContact O-CG 3.28Å; G134-D138 PolarHBondContact O-N 2.93Å; E135-D138 PolarHBondContact O-N 2.72Å; D138-A142 WeakPolarHBondContact O-CB 3.3Å; D138-A142 PolarHBondContact O-N 3.41Å
139R90.9Very high78.3Confident139 Ų13957.9 Ų57.953%0.52529%0.288SS..Hα-helixtrans-68.2-41.3175.1-72.2177.6-177.8-170.42.8111.9L46 E135 D137 I141 A142 M143L46-R139 HydrophobicContact CD2-CG 4.15Å; E135-R139 HydrophobicContact CG-CG 4.42Å; E135-R139 WeakPolarHBondContact O-CB 3.5Å; E135-R139 VanDerWaalsContact O-CG 3.32Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 2.9Å; E135-R139 IonicContact OE1-CZ 3.96Å; E135-R139 VanDerWaalsContact OE1-CZ 3.24Å; E135-R139 IonicContact OE1-NE 3.63Å; E135-R139 PolarHBondContact OE1-NE 3.43Å; E135-R139 IonicContact OE1-NH2 3.76Å; E135-R139 PolarHBondContact OE1-NH2 3.09Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 3.16Å; R139-I141 VanDerWaalsContact C-N 3.35Å; R139-A142 PolarHBondContact O-N 3.25Å; R139-M143 WeakPolarHBondContact O-CB 3.19Å; R139-M143 PolarHBondContact O-N 3.39Å
140Y90Very high79Confident53 Ų5355.5 Ų55.521%0.20828%0.279CS..Hα-helixtrans-59.1-46.9175179.2-91.2000111D136 D137 M143 H144 L162D136-Y140 VanDerWaalsContact O-CB 3.23Å; D136-Y140 WeakPolarHBondContact O-CB 3.1Å; D136-Y140 PolarHBondContact O-N 2.67Å; D137-Y140 WeakPolarHBondContact O-CB 3.48Å; D137-Y140 PolarHBondContact O-N 3.45Å; Y140-M143 PolarHBondContact O-N 3.1Å; Y140-H144 AromaticContact CD1-CD2 3.79Å; Y140-H144 AromaticContact CD2-CD2 3.6Å; Y140-H144 AromaticContact CD2-NE2 3.73Å; Y140-H144 AromaticContact CE1-CD2 3.47Å; Y140-H144 VanDerWaalsContact CE1-CD2 3.47Å; Y140-H144 WeakPolarHBondContact CE1-CD2 3.48Å; Y140-H144 AromaticContact CE1-NE2 3.89Å; Y140-H144 AromaticContact CE2-CD2 3.28Å; Y140-H144 WeakPolarHBondContact CE2-CD2 3.3Å; Y140-H144 AromaticContact CE2-NE2 3.01Å; Y140-H144 WeakPolarHBondContact CE2-NE2 3.49Å; Y140-H144 AromaticContact CG-CD2 3.84Å; Y140-H144 AromaticContact CZ-CD2 3.19Å; Y140-H144 AromaticContact CZ-CE1 3.81Å; Y140-H144 AromaticContact CZ-CG 3.98Å; Y140-H144 AromaticContact CZ-NE2 3.09Å; Y140-H144 WeakPolarHBondContact O-CB 3.32Å; Y140-H144 PolarHBondContact O-CD2 3.05Å; Y140-H144 VanDerWaalsContact O-CD2 3.28Å; Y140-H144 PolarHBondContact O-N 3.43Å; Y140-H144 PolarHBondContact OH-CE1 2.93Å; Y140-H144 PolarHBondContact OH-NE2 3.27Å; Y140-L162 HydrophobicContact CD1-CD1 4.28Å; Y140-L162 HydrophobicContact CE1-CD1 3.67Å; Y140-L162 HydrophobicContact CE1-CD2 3.81Å; Y140-L162 HydrophobicContact CE1-CG 4.39Å
141I89.9Confident79.2Confident0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-59.8-51176.1-68.1162.7000110.1V34 Y132 D137 R139 M143 H144 T145 F167 V169 A188 V190V34-I141 HydrophobicContact CB-CG2 4.38Å; V34-I141 HydrophobicContact CG1-CG2 4.34Å; Y132-I141 HydrophobicContact CE2-CD1 4.23Å; D137-I141 WeakPolarHBondContact O-CB 3.16Å; D137-I141 WeakPolarHBondContact O-CD1 3.01Å; D137-I141 WeakPolarHBondContact O-CG1 3.21Å; D137-I141 PolarHBondContact O-N 3.16Å; R139-I141 VanDerWaalsContact C-N 3.35Å; I141-M143 PolarHBondContact O-N 3.42Å; I141-H144 PolarHBondContact O-N 2.87Å; I141-H144 VanDerWaalsContact O-N 3.17Å; I141-T145 HydrophobicContact CG2-CG2 3.99Å; I141-T145 WeakPolarHBondContact O-CG2 3.33Å; I141-T145 PolarHBondContact O-N 3.03Å; I141-T145 PolarHBondContact O-OG1 3.4Å; I141-T145 VanDerWaalsContact O-OG1 3.09Å; I141-F167 HydrophobicContact CD1-CD2 4.49Å; I141-F167 HydrophobicContact CD1-CE2 3.72Å; I141-F167 HydrophobicContact CD1-CZ 4.02Å; I141-F167 HydrophobicContact CG1-CE2 3.73Å; I141-F167 HydrophobicContact CG1-CZ 4Å; I141-V169 HydrophobicContact CD1-CG2 4.22Å; I141-V169 HydrophobicContact CG1-CG2 4.06Å; I141-V169 HydrophobicContact CG2-CG1 4.15Å; I141-V169 HydrophobicContact CG2-CG2 4.28Å; I141-A188 HydrophobicContact CG2-CB 3.82Å; I141-V190 HydrophobicContact CD1-CG1 4.21Å; I141-V190 HydrophobicContact CD1-CG2 3.71Å
142A89.9Confident78.8Confident2 Ų256.2 Ų56.22%0.01727%0.273CS..Hα-helixtrans-55.1-41.117900000112.2S36 L46 D138 R139 L146S36-A142 VanDerWaalsContact CB-CB 3.48Å; L46-A142 HydrophobicContact CB-CB 4.23Å; L46-A142 HydrophobicContact CD1-CB 4.23Å; D138-A142 WeakPolarHBondContact O-CB 3.3Å; D138-A142 PolarHBondContact O-N 3.41Å; R139-A142 PolarHBondContact O-N 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.28Å; A142-L146 VanDerWaalsContact O-CD1 3.24Å; A142-L146 WeakPolarHBondContact O-CD1 3.42Å; A142-L146 VanDerWaalsContact O-CG 3.25Å; A142-L146 WeakPolarHBondContact O-CG 3.27Å
143M87.9Confident78Confident86 Ų8659.1 Ų59.142%0.42430%0.297SS..Hα-helixtrans-67.8-50.9176.3-175.1179.369.300111.4P44 R139 Y140 I141 L146 C147P44-M143 HydrophobicContact CG-CG 4.31Å; R139-M143 WeakPolarHBondContact O-CB 3.19Å; R139-M143 PolarHBondContact O-N 3.39Å; Y140-M143 PolarHBondContact O-N 3.1Å; I141-M143 PolarHBondContact O-N 3.42Å; M143-L146 PolarHBondContact O-N 3.45Å; M143-C147 VanDerWaalsContact O-CB 3.28Å; M143-C147 WeakPolarHBondContact O-CB 3.07Å; M143-C147 PolarHBondContact O-N 3.01Å; M143-C147 PolarHBondContact O-SG 2.88Å
144H85.6Confident76.8Confident66 Ų6665.2 Ų65.231%0.30631%0.314SS..Hα-helixtrans-67.8-41.4-173.7-87.2-84.8000113.7Y140 I141 L146 C147 S148 L160Y140-H144 AromaticContact CD1-CD2 3.79Å; Y140-H144 AromaticContact CD2-CD2 3.6Å; Y140-H144 AromaticContact CD2-NE2 3.73Å; Y140-H144 AromaticContact CE1-CD2 3.47Å; Y140-H144 VanDerWaalsContact CE1-CD2 3.47Å; Y140-H144 WeakPolarHBondContact CE1-CD2 3.48Å; Y140-H144 AromaticContact CE1-NE2 3.89Å; Y140-H144 AromaticContact CE2-CD2 3.28Å; Y140-H144 WeakPolarHBondContact CE2-CD2 3.3Å; Y140-H144 AromaticContact CE2-NE2 3.01Å; Y140-H144 WeakPolarHBondContact CE2-NE2 3.49Å; Y140-H144 AromaticContact CG-CD2 3.84Å; Y140-H144 AromaticContact CZ-CD2 3.19Å; Y140-H144 AromaticContact CZ-CE1 3.81Å; Y140-H144 AromaticContact CZ-CG 3.98Å; Y140-H144 AromaticContact CZ-NE2 3.09Å; Y140-H144 WeakPolarHBondContact O-CB 3.32Å; Y140-H144 PolarHBondContact O-CD2 3.05Å; Y140-H144 VanDerWaalsContact O-CD2 3.28Å; Y140-H144 PolarHBondContact O-N 3.43Å; Y140-H144 PolarHBondContact OH-CE1 2.93Å; Y140-H144 PolarHBondContact OH-NE2 3.27Å; I141-H144 PolarHBondContact O-N 2.87Å; I141-H144 VanDerWaalsContact O-N 3.17Å; H144-L146 VanDerWaalsContact C-N 3.33Å; H144-L146 PolarHBondContact O-N 2.84Å; H144-C147 PolarHBondContact O-N 2.79Å; H144-S148 PolarHBondContact O-N 2.85Å; H144-L160 HydrophobicContact CB-CD2 4.01Å
145T82.2Confident75.3Confident6 Ų667.6 Ų67.64%0.03732%0.321CS..Hα-helixtrans-71-29.2-179.661.80000112.6I141 S148 V169 A171 I173 S186 A188I141-T145 HydrophobicContact CG2-CG2 3.99Å; I141-T145 WeakPolarHBondContact O-CG2 3.33Å; I141-T145 PolarHBondContact O-N 3.03Å; I141-T145 PolarHBondContact O-OG1 3.4Å; I141-T145 VanDerWaalsContact O-OG1 3.09Å; T145-S148 PolarHBondContact O-OG 3.23Å; T145-S148 VanDerWaalsContact O-OG 3.07Å; T145-V169 HydrophobicContact CG2-CG1 4.02Å; T145-A171 HydrophobicContact CG2-CB 3.73Å; T145-I173 WeakPolarHBondContact O-CD1 3.35Å; T145-S186 PolarHBondContact OG1-OG 2.9Å; T145-A188 HydrophobicContact CG2-CB 4.28Å
146L78.7Confident74.3Confident0 Ų065.5 Ų65.50%032%0.319CS..Hα-helixtrans-83.5-32.6176.9-66171.3000111.9S36 V37 W38 P44 A142 M143 H144 I184S36-L146 VanDerWaalsContact OG-CD1 3.3Å; S36-L146 WeakPolarHBondContact OG-CD1 3.46Å; S36-L146 WeakPolarHBondContact OG-CG 3.15Å; V37-L146 VanDerWaalsContact O-CD1 3.32Å; V37-L146 WeakPolarHBondContact O-CD1 3.38Å; W38-L146 HydrophobicContact CB-CB 4.2Å; W38-L146 HydrophobicContact CB-CD1 3.99Å; W38-L146 HydrophobicContact CB-CD2 4.31Å; W38-L146 HydrophobicContact CB-CG 4.4Å; P44-L146 HydrophobicContact CB-CB 4.41Å; P44-L146 HydrophobicContact CB-CD1 3.94Å; A142-L146 WeakPolarHBondContact O-CB 3.28Å; A142-L146 VanDerWaalsContact O-CD1 3.24Å; A142-L146 WeakPolarHBondContact O-CD1 3.42Å; A142-L146 VanDerWaalsContact O-CG 3.25Å; A142-L146 WeakPolarHBondContact O-CG 3.27Å; M143-L146 PolarHBondContact O-N 3.45Å; H144-L146 VanDerWaalsContact C-N 3.33Å; H144-L146 PolarHBondContact O-N 2.84Å; L146-I184 HydrophobicContact CD2-CG2 4.09Å
147C75.2Confident73.6Confident46 Ų4662.2 Ų62.231%0.31130%0.304SS..Hα-helixtrans-69-31.9177.8-75.60000113.1M143 H144 E149 I150 Y151M143-C147 VanDerWaalsContact O-CB 3.28Å; M143-C147 WeakPolarHBondContact O-CB 3.07Å; M143-C147 PolarHBondContact O-N 3.01Å; M143-C147 PolarHBondContact O-SG 2.88Å; H144-C147 PolarHBondContact O-N 2.79Å; C147-E149 VanDerWaalsContact C-N 3.3Å; C147-E149 PolarHBondContact O-N 3.21Å; C147-I150 PolarHBondContact O-N 3.48Å; C147-Y151 WeakPolarHBondContact O-CD2 3.37Å
148S66.5Low73Confident44 Ų4464.1 Ų64.131%0.30832%0.315SS..Hα-helixtrans-60.7-38.4178.9570000112.6H144 T145 Y151 N152H144-S148 PolarHBondContact O-N 2.85Å; T145-S148 PolarHBondContact O-OG 3.23Å; T145-S148 VanDerWaalsContact O-OG 3.07Å; S148-Y151 PolarHBondContact O-N 3.05Å; S148-N152 PolarHBondContact O-N 2.77Å
149E60.8Low72.7Confident17 Ų1766.4 Ų66.48%0.07933%0.328CS..Hα-helixtrans-79.1-22.4-177.1-72.8-71.8129.200114.5C147 Y151 N152 P153 N155 I173C147-E149 VanDerWaalsContact C-N 3.3Å; C147-E149 PolarHBondContact O-N 3.21Å; E149-Y151 PolarHBondContact O-N 2.99Å; E149-Y151 VanDerWaalsContact O-N 3.12Å; E149-N152 CarbonylContact O-C 3.5Å; E149-N152 PolarHBondContact O-N 3.4Å; E149-N152 VanDerWaalsContact O-N 3.14Å; E149-N152 VanDerWaalsContact OE1-O 3.11Å; E149-N152 VanDerWaalsContact OE2-O 3.12Å; E149-P153 VanDerWaalsContact OE2-CA 3.29Å; E149-P153 WeakPolarHBondContact OE2-CA 3.32Å; E149-N155 VanDerWaalsContact OE1-O 3.08Å; E149-I173 HydrophobicContact CB-CD1 4.44Å; E149-I173 HydrophobicContact CB-CG2 4.24Å; E149-I173 HydrophobicContact CG-CB 3.92Å; E149-I173 HydrophobicContact CG-CD1 3.18Å; E149-I173 HydrophobicContact CG-CG1 4.09Å; E149-I173 HydrophobicContact CG-CG2 3.58Å
150I58Low72.5Confident74 Ų7462.5 Ų62.538%0.37932%0.318SS..Hα-helixtrans-56.8-28.7170-61.6173.6000109.7W38 C147W38-I150 HydrophobicContact CD2-CD1 4.44Å; W38-I150 HydrophobicContact CZ2-CD1 4.01Å; C147-I150 PolarHBondContact O-N 3.48Å
151Y54.3Low72.5Confident202 Ų20266.6 Ų66.679%0.79233%0.333SS*.Hα-helixtrans-97.5-19.7178.2-60.1-72.9000114C147 S148 E149C147-Y151 WeakPolarHBondContact O-CD2 3.37Å; S148-Y151 PolarHBondContact O-N 3.05Å; E149-Y151 PolarHBondContact O-N 2.99Å; E149-Y151 VanDerWaalsContact O-N 3.12Å
152N57.1Low72.4Confident62 Ų6267.6 Ų67.633%0.33234%0.338SS..  trans-15180.8-176.9-167.916.4000113.7S148 E149 R154S148-N152 PolarHBondContact O-N 2.77Å; E149-N152 CarbonylContact O-C 3.5Å; E149-N152 PolarHBondContact O-N 3.4Å; E149-N152 VanDerWaalsContact O-N 3.14Å; E149-N152 VanDerWaalsContact OE1-O 3.11Å; E149-N152 VanDerWaalsContact OE2-O 3.12Å; N152-R154 PolarHBondContact O-N 2.98Å; N152-R154 WeakPolarHBondContact OD1-CB 3.5Å
153P55Low72.2Confident103 Ų10371 Ų7167%0.66936%0.36SS*.THydrogen-bonded Turntrans-69.314.1-177.329.8-37000114.8E149E149-P153 VanDerWaalsContact OE2-CA 3.29Å; E149-P153 WeakPolarHBondContact OE2-CA 3.32Å
154R52.3Low72Confident217 Ų21773 Ų7382%0.81937%0.372SS*.THydrogen-bonded Turntrans-98.7-17.7-166.5-62.1-177177.7-178.80.2113.5N152N152-R154 PolarHBondContact O-N 2.98Å; N152-R154 WeakPolarHBondContact OD1-CB 3.5Å
155N51.8Low72.1Confident73 Ų7373.1 Ų73.139%0.3937%0.37SS..  trans-110.2112.5-175-70.1-4.8000110.9E149 S157 D158E149-N155 VanDerWaalsContact OE1-O 3.08Å; N155-S157 PolarHBondContact O-N 3.42Å; N155-D158 WeakPolarHBondContact CB-OD1 2.96Å; N155-D158 PolarHBondContact ND2-OD1 3Å
156S64.1Low72.4Confident65 Ų6578.3 Ų78.346%0.45539%0.389SS..SBendtrans-70.5-13.9175.953.90000113.6Y172 I173S156-Y172 VanDerWaalsContact O-CA 3.3Å; S156-Y172 WeakPolarHBondContact O-CA 3.42Å; S156-I173 PolarHBondContact O-N 3.15Å; S156-I173 VanDerWaalsContact O-N 3.09Å
157S73Confident73.1Confident39 Ų3978.6 Ų78.627%0.27339%0.39SS..EExtended strand (participates in β ladder)trans-143.5121.1-17759.70000111.4N155 A171N155-S157 PolarHBondContact O-N 3.42Å; S157-A171 VanDerWaalsContact CA-O 3.25Å; S157-A171 WeakPolarHBondContact CA-O 3.46Å
158D78.6Confident73.9Confident43 Ų4376.4 Ų76.423%0.2338%0.375CS..EExtended strand (participates in β ladder)trans-124.9143.9177.7-87.3-7.3000110.7N155 G170 A171N155-D158 WeakPolarHBondContact CB-OD1 2.96Å; N155-D158 PolarHBondContact ND2-OD1 3Å; D158-G170 WeakPolarHBondContact O-CA 3.46Å; D158-A171 PolarHBondContact N-O 3.29Å; D158-A171 PolarHBondContact O-N 2.85Å
159V85.5Confident75.2Confident57 Ų5774.3 Ų74.335%0.34536%0.361SS..EExtended strand (participates in β ladder)trans-111.1112.3174.2-176.80000109.5V169 V196 F199 L200V159-V169 CarbonylContact C-O 3.14Å; V159-V169 VanDerWaalsContact CA-O 3.31Å; V159-V169 WeakPolarHBondContact CA-O 3.48Å; V159-V196 HydrophobicContact CG1-CG1 4.43Å; V159-F199 HydrophobicContact CG2-CD1 4.33Å; V159-F199 HydrophobicContact CG2-CE1 4.03Å; V159-L200 HydrophobicContact CG2-CD2 4.01Å
160L86.7Confident76.7Confident57 Ų5773.6 Ų73.630%0.29836%0.358SS..EExtended strand (participates in β ladder)trans-99.9123.1176.2178.865.6000109.5H144 L162 A168 V169H144-L160 HydrophobicContact CB-CD2 4.01Å; L160-L162 HydrophobicContact CD2-CD1 3.84Å; L160-L162 HydrophobicContact CD2-CD2 4.44Å; L160-L162 HydrophobicContact CD2-CG 4.21Å; L160-L162 HydrophobicContact CG-CD1 4.15Å; L160-L162 HydrophobicContact CG-CD2 4.43Å; L160-L162 HydrophobicContact CG-CG 4.05Å; L160-A168 CarbonylContact O-C 3.59Å; L160-A168 VanDerWaalsContact O-CA 3.26Å; L160-A168 WeakPolarHBondContact O-CA 3.31Å; L160-V169 HydrophobicContact CB-CB 4.33Å; L160-V169 PolarHBondContact N-O 3.14Å; L160-V169 PolarHBondContact O-N 3.32Å
161R88.9Confident78.3Confident140 Ų14070.2 Ų70.253%0.52834%0.341SS..EExtended strand (participates in β ladder)trans-100132.2172.7-64.4179.365.6179.9-0.8109.4A168 E193 V196R161-A168 HydrophobicContact CG-CB 4.5Å; R161-E193 IonicContact CZ-OE1 2.87Å; R161-E193 IonicContact NE-OE1 2.56Å; R161-E193 IonicContact NH2-OE1 3.97Å; R161-E193 PolarHBondContact NH2-OE1 3.35Å; R161-V196 HydrophobicContact CG-CG2 4.11Å
162L87.9Confident80.1Confident20 Ų2061 Ų6111%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-12775.9178.1-67.4158.9000109.3Y140 L160 D164 R165 R166 F167Y140-L162 HydrophobicContact CD1-CD1 4.28Å; Y140-L162 HydrophobicContact CE1-CD1 3.67Å; Y140-L162 HydrophobicContact CE1-CD2 3.81Å; Y140-L162 HydrophobicContact CE1-CG 4.39Å; L160-L162 HydrophobicContact CD2-CD1 3.84Å; L160-L162 HydrophobicContact CD2-CD2 4.44Å; L160-L162 HydrophobicContact CD2-CG 4.21Å; L160-L162 HydrophobicContact CG-CD1 4.15Å; L160-L162 HydrophobicContact CG-CD2 4.43Å; L160-L162 HydrophobicContact CG-CG 4.05Å; L162-D164 VanDerWaalsContact C-N 3.27Å; L162-D164 PolarHBondContact O-N 3.38Å; L162-R165 HydrophobicContact CB-CB 4.35Å; L162-R165 CarbonylContact O-C 3.57Å; L162-R165 PolarHBondContact O-N 3Å; L162-R166 PolarHBondContact O-N 3.24Å; L162-F167 CarbonylContact C-O 3.5Å; L162-F167 WeakPolarHBondContact CA-O 3.33Å; L162-F167 HydrophobicContact CB-CD2 4.44Å; L162-F167 HydrophobicContact CB-CE2 4.32Å; L162-F167 WeakPolarHBondContact CB-O 3.2Å; L162-F167 HydrophobicContact CD1-CD2 3.96Å; L162-F167 HydrophobicContact CD1-CE2 3.2Å; L162-F167 HydrophobicContact CD1-CZ 3.59Å; L162-F167 HydrophobicContact CG-CE2 4.36Å; L162-F167 PolarHBondContact N-O 2.87Å; L162-F167 PolarHBondContact O-N 3.28Å
163P85Confident81.7Confident74 Ų7458.7 Ų58.748%0.48129%0.293SS..G310 helixtrans-57.9-38.7-175.3-23.934.4000112.9R165 R166P163-R165 PolarHBondContact O-N 3.41Å; P163-R166 PolarHBondContact O-N 3.17Å
164D85.4Confident83.4Confident127 Ų12754.2 Ų54.268%0.67926%0.262SS*.G310 helixtrans-61.3-29178.5-70-36.6000113L162L162-D164 VanDerWaalsContact C-N 3.27Å; L162-D164 PolarHBondContact O-N 3.38Å
165R86.6Confident85.2Confident70 Ų7047.3 Ų47.326%0.26424%0.241SC..G310 helixtrans-101.20.8176.1-56.8-174.6179.3-98.3-1.2113.2D137 L162 P163 F167D137-R165 WeakPolarHBondContact OD1-CD 3.23Å; D137-R165 IonicContact OD1-CZ 2.9Å; D137-R165 IonicContact OD1-NE 2.67Å; D137-R165 IonicContact OD1-NH1 3.24Å; D137-R165 PolarHBondContact OD1-NH1 3.21Å; L162-R165 HydrophobicContact CB-CB 4.35Å; L162-R165 CarbonylContact O-C 3.57Å; L162-R165 PolarHBondContact O-N 3Å; P163-R165 PolarHBondContact O-N 3.41Å; R165-F167 HydrophobicContact CB-CD1 3.49Å; R165-F167 VanDerWaalsContact CB-CD1 3.49Å; R165-F167 HydrophobicContact CB-CE1 3.25Å; R165-F167 HydrophobicContact CB-CZ 4.11Å; R165-F167 VanDerWaalsContact CD-CE1 3.5Å; R165-F167 HydrophobicContact CG-CE1 4.02Å; R165-F167 VanDerWaalsContact O-CD1 3.29Å; R165-F167 WeakPolarHBondContact O-CD1 3.42Å; R165-F167 PolarHBondContact O-N 3.49Å
166R89.2Confident86.9Confident115 Ų11544.2 Ų44.243%0.43423%0.225SC..THydrogen-bonded Turntrans59.123.4178.7-56.9178.3170.4-163.2-2.5115.5E129 L162 P163 E193E129-R166 IonicContact OE1-CZ 2.62Å; E129-R166 VanDerWaalsContact OE1-CZ 3.27Å; E129-R166 IonicContact OE1-NH1 3.82Å; E129-R166 PolarHBondContact OE1-NH1 3.43Å; E129-R166 IonicContact OE1-NH2 3.81Å; E129-R166 PolarHBondContact OE1-NH2 3.03Å; E129-R166 IonicContact OE2-NH1 3.49Å; L162-R166 PolarHBondContact O-N 3.24Å; P163-R166 PolarHBondContact O-N 3.17Å; R166-E193 PolarHBondContact O-N 2.89Å
167F92.3Very high87.9Confident5 Ų545.8 Ų45.82%0.02222%0.223CC..EExtended strand (participates in β ladder)trans-129.1163.9174.168.6-102000112.3Y132 D137 I141 L162 R165 V169 V190 L191Y132-F167 AromaticContact CD2-CD1 3.77Å; Y132-F167 HydrophobicContact CD2-CD1 3.77Å; Y132-F167 HydrophobicContact CD2-CE1 4Å; Y132-F167 HydrophobicContact CD2-CG 4.39Å; Y132-F167 HydrophobicContact CE2-CD1 4.07Å; Y132-F167 HydrophobicContact CE2-CE1 4.06Å; Y132-F167 HydrophobicContact CE2-CG 4.45Å; Y132-F167 HydrophobicContact CE2-CZ 4.45Å; D137-F167 HydrophobicContact CB-CE1 4.2Å; D137-F167 HydrophobicContact CB-CZ 4.36Å; I141-F167 HydrophobicContact CD1-CD2 4.49Å; I141-F167 HydrophobicContact CD1-CE2 3.72Å; I141-F167 HydrophobicContact CD1-CZ 4.02Å; I141-F167 HydrophobicContact CG1-CE2 3.73Å; I141-F167 HydrophobicContact CG1-CZ 4Å; L162-F167 CarbonylContact C-O 3.5Å; L162-F167 WeakPolarHBondContact CA-O 3.33Å; L162-F167 HydrophobicContact CB-CD2 4.44Å; L162-F167 HydrophobicContact CB-CE2 4.32Å; L162-F167 WeakPolarHBondContact CB-O 3.2Å; L162-F167 HydrophobicContact CD1-CD2 3.96Å; L162-F167 HydrophobicContact CD1-CE2 3.2Å; L162-F167 HydrophobicContact CD1-CZ 3.59Å; L162-F167 HydrophobicContact CG-CE2 4.36Å; L162-F167 PolarHBondContact N-O 2.87Å; L162-F167 PolarHBondContact O-N 3.28Å; R165-F167 HydrophobicContact CB-CD1 3.49Å; R165-F167 VanDerWaalsContact CB-CD1 3.49Å; R165-F167 HydrophobicContact CB-CE1 3.25Å; R165-F167 HydrophobicContact CB-CZ 4.11Å; R165-F167 VanDerWaalsContact CD-CE1 3.5Å; R165-F167 HydrophobicContact CG-CE1 4.02Å; R165-F167 VanDerWaalsContact O-CD1 3.29Å; R165-F167 WeakPolarHBondContact O-CD1 3.42Å; R165-F167 PolarHBondContact O-N 3.49Å; F167-V169 HydrophobicContact CD2-CG2 3.85Å; F167-V169 HydrophobicContact CE2-CG2 3.78Å; F167-V190 HydrophobicContact CB-CG1 4.4Å; F167-V190 HydrophobicContact CD2-CG1 4.16Å; F167-V190 HydrophobicContact CG-CG1 4.43Å; F167-L191 CarbonylContact C-O 2.84Å; F167-L191 VanDerWaalsContact CA-O 3.24Å; F167-L191 WeakPolarHBondContact CA-O 3.35Å; F167-L191 VanDerWaalsContact CB-O 3.27Å; F167-L191 WeakPolarHBondContact CB-O 3.15Å
168A92.8Very high88Confident0 Ų047.2 Ų47.20%023%0.226CC..EExtended strand (participates in β ladder)trans-130.415917000000109.8L160 R161 L191 V196L160-A168 CarbonylContact O-C 3.59Å; L160-A168 VanDerWaalsContact O-CA 3.26Å; L160-A168 WeakPolarHBondContact O-CA 3.31Å; R161-A168 HydrophobicContact CG-CB 4.5Å; A168-L191 HydrophobicContact CB-CD2 4.44Å; A168-L191 HydrophobicContact CB-CG 4.2Å; A168-L191 PolarHBondContact N-O 3.41Å; A168-L191 WeakPolarHBondContact O-CD2 3.39Å; A168-L191 PolarHBondContact O-N 2.93Å; A168-V196 HydrophobicContact CB-CG2 3.22Å
169V93.2Very high87.6Confident1 Ų152.8 Ų52.81%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-132125.9-175.1-177.50000109.3I141 T145 V159 L160 F167 A171 A188 L189I141-V169 HydrophobicContact CD1-CG2 4.22Å; I141-V169 HydrophobicContact CG1-CG2 4.06Å; I141-V169 HydrophobicContact CG2-CG1 4.15Å; I141-V169 HydrophobicContact CG2-CG2 4.28Å; T145-V169 HydrophobicContact CG2-CG1 4.02Å; V159-V169 CarbonylContact C-O 3.14Å; V159-V169 VanDerWaalsContact CA-O 3.31Å; V159-V169 WeakPolarHBondContact CA-O 3.48Å; L160-V169 HydrophobicContact CB-CB 4.33Å; L160-V169 PolarHBondContact N-O 3.14Å; L160-V169 PolarHBondContact O-N 3.32Å; F167-V169 HydrophobicContact CD2-CG2 3.85Å; F167-V169 HydrophobicContact CE2-CG2 3.78Å; V169-A171 HydrophobicContact CG1-CB 4.46Å; V169-A188 HydrophobicContact CG1-CB 3.55Å; V169-L189 VanDerWaalsContact CA-O 3.31Å; V169-L189 WeakPolarHBondContact CA-O 3.32Å
170G92.8Very high86.9Confident1 Ų157.4 Ų57.41%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-99.2113162.300000110.1D158 A188 L189D158-G170 WeakPolarHBondContact O-CA 3.46Å; G170-A188 WeakPolarHBondContact O-CA 3.4Å; G170-L189 PolarHBondContact N-O 2.89Å; G170-L189 PolarHBondContact O-N 3.42Å
171A92.7Very high86.7Confident4 Ų462.2 Ų62.23%0.03329%0.287CS..EExtended strand (participates in β ladder)trans-107133.2-175.400000111.5T145 S157 D158 V169 I173 A188T145-A171 HydrophobicContact CG2-CB 3.73Å; S157-A171 VanDerWaalsContact CA-O 3.25Å; S157-A171 WeakPolarHBondContact CA-O 3.46Å; D158-A171 PolarHBondContact N-O 3.29Å; D158-A171 PolarHBondContact O-N 2.85Å; V169-A171 HydrophobicContact CG1-CB 4.46Å; A171-I173 HydrophobicContact CB-CD1 4.35Å; A171-I173 HydrophobicContact CB-CG1 4.35Å; A171-A188 HydrophobicContact CB-CB 4.49Å
172Y92.1Very high86.5Confident8 Ų860.6 Ų60.63%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-110.2117.3173-63.9-86000109.8S156 S186 I187 L189 Q203 L206 F210S156-Y172 VanDerWaalsContact O-CA 3.3Å; S156-Y172 WeakPolarHBondContact O-CA 3.42Å; Y172-S186 WeakPolarHBondContact O-CA 3.45Å; Y172-I187 PolarHBondContact N-O 2.87Å; Y172-I187 PolarHBondContact O-N 2.76Å; Y172-L189 HydrophobicContact CE2-CD1 3.97Å; Y172-L189 HydrophobicContact CE2-CG 4.44Å; Y172-Q203 PolarHBondContact OH-NE2 2.9Å; Y172-Q203 PolarHBondContact OH-OE1 2.9Å; Y172-Q203 VanDerWaalsContact OH-OE1 3.09Å; Y172-L206 WeakPolarHBondContact OH-CB 3.16Å; Y172-F210 HydrophobicContact CD1-CB 3.5Å; Y172-F210 HydrophobicContact CD1-CD1 4.18Å; Y172-F210 AromaticContact CD1-CD2 3.85Å; Y172-F210 HydrophobicContact CD1-CD2 3.85Å; Y172-F210 AromaticContact CD1-CG 3.57Å; Y172-F210 HydrophobicContact CD1-CG 3.57Å; Y172-F210 HydrophobicContact CD2-CB 4.43Å; Y172-F210 AromaticContact CD2-CD1 3.67Å; Y172-F210 HydrophobicContact CD2-CD1 3.67Å; Y172-F210 AromaticContact CD2-CD2 3.47Å; Y172-F210 HydrophobicContact CD2-CD2 3.47Å; Y172-F210 VanDerWaalsContact CD2-CD2 3.47Å; Y172-F210 AromaticContact CD2-CE1 3.67Å; Y172-F210 HydrophobicContact CD2-CE1 3.67Å; Y172-F210 AromaticContact CD2-CE2 3.48Å; Y172-F210 HydrophobicContact CD2-CE2 3.48Å; Y172-F210 VanDerWaalsContact CD2-CE2 3.48Å; Y172-F210 AromaticContact CD2-CG 3.57Å; Y172-F210 HydrophobicContact CD2-CG 3.57Å; Y172-F210 AromaticContact CD2-CZ 3.58Å; Y172-F210 HydrophobicContact CD2-CZ 3.58Å; Y172-F210 HydrophobicContact CE1-CB 3.87Å; Y172-F210 AromaticContact CE1-CD2 3.68Å; Y172-F210 HydrophobicContact CE1-CD2 3.68Å; Y172-F210 HydrophobicContact CE1-CE2 4.49Å; Y172-F210 AromaticContact CE1-CG 3.88Å; Y172-F210 HydrophobicContact CE1-CG 3.88Å; Y172-F210 HydrophobicContact CE2-CD1 4.36Å; Y172-F210 AromaticContact CE2-CD2 3.28Å; Y172-F210 HydrophobicContact CE2-CD2 3.28Å; Y172-F210 HydrophobicContact CE2-CE1 4.32Å; Y172-F210 AromaticContact CE2-CE2 3.24Å; Y172-F210 HydrophobicContact CE2-CE2 3.24Å; Y172-F210 AromaticContact CE2-CG 3.89Å; Y172-F210 HydrophobicContact CE2-CG 3.89Å; Y172-F210 AromaticContact CE2-CZ 3.8Å; Y172-F210 HydrophobicContact CE2-CZ 3.8Å; Y172-F210 HydrophobicContact CG-CB 3.83Å; Y172-F210 AromaticContact CG-CD1 3.57Å; Y172-F210 HydrophobicContact CG-CD1 3.57Å; Y172-F210 AromaticContact CG-CD2 3.75Å; Y172-F210 HydrophobicContact CG-CD2 3.75Å; Y172-F210 HydrophobicContact CG-CE1 4.05Å; Y172-F210 HydrophobicContact CG-CE2 4.22Å; Y172-F210 AromaticContact CG-CG 3.41Å; Y172-F210 HydrophobicContact CG-CG 3.41Å; Y172-F210 VanDerWaalsContact CG-CG 3.41Å; Y172-F210 HydrophobicContact CG-CZ 4.35Å; Y172-F210 AromaticContact CZ-CD2 3.41Å; Y172-F210 VanDerWaalsContact CZ-CD2 3.41Å; Y172-F210 AromaticContact CZ-CE2 3.82Å
173I90.2Very high86.5Confident14 Ų1459.9 Ų59.97%0.07228%0.283CS..EExtended strand (participates in β ladder)trans-118.2135.6-166.5-51.4169.2000110.4T145 E149 S156 A171 I184 H185T145-I173 WeakPolarHBondContact O-CD1 3.35Å; E149-I173 HydrophobicContact CB-CD1 4.44Å; E149-I173 HydrophobicContact CB-CG2 4.24Å; E149-I173 HydrophobicContact CG-CB 3.92Å; E149-I173 HydrophobicContact CG-CD1 3.18Å; E149-I173 HydrophobicContact CG-CG1 4.09Å; E149-I173 HydrophobicContact CG-CG2 3.58Å; S156-I173 PolarHBondContact O-N 3.15Å; S156-I173 VanDerWaalsContact O-N 3.09Å; A171-I173 HydrophobicContact CB-CD1 4.35Å; A171-I173 HydrophobicContact CB-CG1 4.35Å; I173-I184 HydrophobicContact CG2-CG2 3.56Å; I173-H185 WeakPolarHBondContact CA-O 3.39Å; I173-H185 WeakPolarHBondContact CG2-O 3.17Å
174F90.1Very high86.8Confident8 Ų857.7 Ų57.74%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-153.7150-175.564.5-83.3000112.1A176 H185 I187 V214 L217 R218 I221F174-A176 HydrophobicContact CD2-CB 4.35Å; F174-A176 HydrophobicContact CE2-CB 4.18Å; F174-H185 HydrophobicContact CD1-CB 4.21Å; F174-H185 HydrophobicContact CD2-CB 4.15Å; F174-H185 HydrophobicContact CE1-CB 3.68Å; F174-H185 HydrophobicContact CE2-CB 3.62Å; F174-H185 HydrophobicContact CG-CB 4.42Å; F174-H185 HydrophobicContact CZ-CB 3.35Å; F174-H185 PolarHBondContact N-O 3.45Å; F174-H185 PolarHBondContact O-N 2.75Å; F174-I187 HydrophobicContact CE1-CG1 4.1Å; F174-V214 HydrophobicContact CB-CG1 3.48Å; F174-V214 VanDerWaalsContact CB-CG1 3.48Å; F174-V214 HydrophobicContact CB-CG2 4.39Å; F174-V214 HydrophobicContact CD1-CB 4.49Å; F174-V214 HydrophobicContact CD1-CG1 4.03Å; F174-V214 HydrophobicContact CD1-CG2 3.67Å; F174-V214 HydrophobicContact CD2-CG1 3.82Å; F174-V214 HydrophobicContact CE1-CG2 4.11Å; F174-V214 HydrophobicContact CG-CB 4.41Å; F174-V214 HydrophobicContact CG-CG1 3.51Å; F174-V214 HydrophobicContact CG-CG2 4.05Å; F174-L217 HydrophobicContact CE1-CD2 3.98Å; F174-L217 HydrophobicContact CE2-CD2 4.24Å; F174-L217 HydrophobicContact CE2-CG 4.29Å; F174-L217 HydrophobicContact CZ-CD2 3.4Å; F174-L217 HydrophobicContact CZ-CG 3.92Å; F174-R218 HydrophobicContact CD2-CG 3.93Å; F174-R218 HydrophobicContact CE2-CG 4.33Å; F174-I221 HydrophobicContact CE2-CD1 3.82Å; F174-I221 HydrophobicContact CZ-CD1 4.15Å
175M89.4Confident87.1Confident73 Ų7351.8 Ų51.836%0.3624%0.235SC..EExtended strand (participates in β ladder)trans-87.4140.8170.2-64.6-179-71.100111Q182 A183 I184 R218M175-Q182 HydrophobicContact CB-CG 4.5Å; M175-Q182 HydrophobicContact SD-CG 4.5Å; M175-Q182 PolarHBondContact SD-NE2 3.24Å; M175-A183 WeakPolarHBondContact CA-O 3.44Å; M175-I184 HydrophobicContact CG-CG1 4.19Å; M175-R218 PolarHBondContact O-NE 3.06Å
176A89.1Confident87.4Confident7 Ų748.5 Ų48.56%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-141155.4169.200000110.2F174 A183 R218 I221F174-A176 HydrophobicContact CD2-CB 4.35Å; F174-A176 HydrophobicContact CE2-CB 4.18Å; A176-A183 PolarHBondContact N-O 3.39Å; A176-A183 PolarHBondContact O-N 3.4Å; A176-R218 HydrophobicContact CB-CG 4.14Å; A176-I221 HydrophobicContact CB-CB 4.48Å; A176-I221 HydrophobicContact CB-CD1 3.98Å; A176-I221 HydrophobicContact CB-CG2 4.19Å
177K85.1Confident87.7Confident98 Ų9843 Ų4343%0.42620%0.202SC..EExtended strand (participates in β ladder)trans-86.1124.4171.1-71.4-176.7-179.3175.60108.8R181 L222K177-R181 CarbonylContact C-O 3.55Å; K177-R181 WeakPolarHBondContact CA-O 3.46Å; K177-L222 HydrophobicContact CB-CD1 4.43Å
178H73.9Confident87.8Confident70 Ų7042.8 Ų42.832%0.32420%0.201SC..EExtended strand (participates in β ladder)trans-126117.8174.3176.7-85.3000108.3D180 R181 I221H178-D180 PolarHBondContact O-N 3.44Å; H178-R181 PolarHBondContact N-O 3.38Å; H178-R181 PolarHBondContact O-N 2.92Å; H178-R181 VanDerWaalsContact O-N 3.1Å; H178-I221 HydrophobicContact CB-CG2 4.14Å
179Q70.9Confident87.9Confident159 Ų15942.8 Ų42.874%0.74320%0.201SC*.THydrogen-bonded Turntrans51.552.7-178.1-59.8175.1-7.500112.6R181Q179-R181 PolarHBondContact O-N 3.4Å
180D70.3Confident88Confident154 Ų15442.7 Ų42.782%0.82420%0.201SC*.THydrogen-bonded Turntrans61.58.4-178.1-59.5-39000116.3H178H178-D180 PolarHBondContact O-N 3.44Å
181R81.9Confident88.1Confident158 Ų15842.7 Ų42.760%0.59620%0.2SC*.EExtended strand (participates in β ladder)trans-114.7143.3176.8-66.4-179.2175.9163.6-3.6111K177 H178 Q179K177-R181 CarbonylContact C-O 3.55Å; K177-R181 WeakPolarHBondContact CA-O 3.46Å; H178-R181 PolarHBondContact N-O 3.38Å; H178-R181 PolarHBondContact O-N 2.92Å; H178-R181 VanDerWaalsContact O-N 3.1Å; Q179-R181 PolarHBondContact O-N 3.4Å
182Q85.9Confident88.1Confident107 Ų10745 Ų4550%0.521%0.212SC..EExtended strand (participates in β ladder)trans-76.1127.8172.8-166.3164.6900109.1M175M175-Q182 HydrophobicContact CB-CG 4.5Å; M175-Q182 HydrophobicContact SD-CG 4.5Å; M175-Q182 PolarHBondContact SD-NE2 3.24Å
183A88.7Confident88.1Confident5 Ų546.6 Ų46.64%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-128.1147.8175.200000109.5V37 W38 N39 M175 A176V37-A183 HydrophobicContact CG2-CB 3.69Å; W38-A183 WeakPolarHBondContact O-CA 3.35Å; W38-A183 WeakPolarHBondContact O-CB 3.49Å; N39-A183 HydrophobicContact CB-CB 4.36Å; M175-A183 WeakPolarHBondContact CA-O 3.44Å; A176-A183 PolarHBondContact N-O 3.39Å; A176-A183 PolarHBondContact O-N 3.4Å
184I90.2Very high88.2Confident28 Ų2854.7 Ų54.714%0.14425%0.254CS..EExtended strand (participates in β ladder)trans-94.5128.6173.5-60.4169.4000106.7V37 W38 L146 I173 M175V37-I184 CarbonylContact C-O 3.5Å; V37-I184 VanDerWaalsContact CA-O 3.32Å; V37-I184 WeakPolarHBondContact CA-O 3.36Å; W38-I184 HydrophobicContact CB-CB 4.4Å; W38-I184 HydrophobicContact CE3-CD1 3.87Å; W38-I184 HydrophobicContact CE3-CG1 4.28Å; W38-I184 HydrophobicContact CZ3-CD1 4.11Å; W38-I184 PolarHBondContact N-O 3.08Å; W38-I184 PolarHBondContact O-N 3.17Å; L146-I184 HydrophobicContact CD2-CG2 4.09Å; I173-I184 HydrophobicContact CG2-CG2 3.56Å; M175-I184 HydrophobicContact CG-CG1 4.19Å
185H92.1Very high88.2Confident3 Ų357.2 Ų57.21%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-117.2145.5178.8-65.1-97.2000109.7W35 S36 V37 I173 F174W35-H185 AromaticContact CE2-ND1 3.96Å; W35-H185 AromaticContact CZ2-ND1 3.91Å; W35-H185 AromaticContact NE1-ND1 3.43Å; W35-H185 PolarHBondContact NE1-ND1 2.97Å; S36-H185 WeakPolarHBondContact O-CA 3.49Å; V37-H185 WeakPolarHBondContact CG2-CE1 3.45Å; I173-H185 WeakPolarHBondContact CA-O 3.39Å; I173-H185 WeakPolarHBondContact CG2-O 3.17Å; F174-H185 HydrophobicContact CD1-CB 4.21Å; F174-H185 HydrophobicContact CD2-CB 4.15Å; F174-H185 HydrophobicContact CE1-CB 3.68Å; F174-H185 HydrophobicContact CE2-CB 3.62Å; F174-H185 HydrophobicContact CG-CB 4.42Å; F174-H185 HydrophobicContact CZ-CB 3.35Å; F174-H185 PolarHBondContact N-O 3.45Å; F174-H185 PolarHBondContact O-N 2.75Å
186S92.8Very high88.3Confident0 Ų054.1 Ų54.10%025%0.249CC..EExtended strand (participates in β ladder)trans-127.7134.3174.5-178.10000110.3W35 S36 T145 Y172W35-S186 WeakPolarHBondContact CA-O 3.39Å; S36-S186 PolarHBondContact N-O 3.18Å; S36-S186 PolarHBondContact O-N 2.91Å; T145-S186 PolarHBondContact OG1-OG 2.9Å; Y172-S186 WeakPolarHBondContact O-CA 3.45Å
187I94.8Very high88.4Confident0 Ų059.2 Ų59.20%028%0.275CS..EExtended strand (participates in β ladder)trans-109.6110.4165.1-55.8-65.3000107.7V33 W35 Y172 F174 F210 L217 M233V33-I187 HydrophobicContact CG1-CG2 3.71Å; W35-I187 HydrophobicContact CB-CD1 3.71Å; W35-I187 HydrophobicContact CG-CD1 3.66Å; Y172-I187 PolarHBondContact N-O 2.87Å; Y172-I187 PolarHBondContact O-N 2.76Å; F174-I187 HydrophobicContact CE1-CG1 4.1Å; I187-F210 HydrophobicContact CB-CE1 4.07Å; I187-F210 HydrophobicContact CG2-CE1 3.75Å; I187-F210 HydrophobicContact CG2-CZ 4.26Å; I187-L217 HydrophobicContact CD1-CD2 4.38Å; I187-L217 HydrophobicContact CG1-CD2 4.4Å; I187-M233 HydrophobicContact CD1-CE 3.45Å; I187-M233 VanDerWaalsContact CD1-CE 3.45Å
188A95Very high88.6Confident0 Ų057 Ų570%026%0.264CS..EExtended strand (participates in β ladder)trans-105.5125.1-176.200000110.8V33 V34 I141 T145 V169 G170 A171V33-A188 CarbonylContact C-O 3.44Å; V33-A188 WeakPolarHBondContact CA-O 3.3Å; V34-A188 HydrophobicContact CB-CB 4.17Å; V34-A188 PolarHBondContact N-O 3.19Å; V34-A188 PolarHBondContact O-N 3.41Å; I141-A188 HydrophobicContact CG2-CB 3.82Å; T145-A188 HydrophobicContact CG2-CB 4.28Å; V169-A188 HydrophobicContact CG1-CB 3.55Å; G170-A188 WeakPolarHBondContact O-CA 3.4Å; A171-A188 HydrophobicContact CB-CB 4.49Å
189L95.6Very high89.5Confident0 Ų053.7 Ų53.70%025%0.249CC..EExtended strand (participates in β ladder)trans-94.2117.5172.5-57.2-179.4000108.6I30 V33 V169 G170 Y172 F199 L206 F210I30-L189 HydrophobicContact CD1-CB 4.32Å; I30-L189 HydrophobicContact CD1-CD1 3.88Å; I30-L189 HydrophobicContact CD1-CD2 4.26Å; I30-L189 HydrophobicContact CD1-CG 4.39Å; I30-L189 HydrophobicContact CG2-CB 4.45Å; I30-L189 HydrophobicContact CG2-CD2 4.45Å; V33-L189 HydrophobicContact CB-CD2 4.43Å; V33-L189 HydrophobicContact CG1-CD2 4.08Å; V33-L189 HydrophobicContact CG2-CD2 3.74Å; V169-L189 VanDerWaalsContact CA-O 3.31Å; V169-L189 WeakPolarHBondContact CA-O 3.32Å; G170-L189 PolarHBondContact N-O 2.89Å; G170-L189 PolarHBondContact O-N 3.42Å; Y172-L189 HydrophobicContact CE2-CD1 3.97Å; Y172-L189 HydrophobicContact CE2-CG 4.44Å; L189-F199 HydrophobicContact CB-CE2 4.22Å; L189-F199 HydrophobicContact CD1-CE2 3.79Å; L189-F199 HydrophobicContact CD1-CZ 4.21Å; L189-L206 HydrophobicContact CD1-CD1 4.22Å; L189-L206 HydrophobicContact CD1-CD2 4.47Å; L189-F210 HydrophobicContact CD1-CE2 3.88Å; L189-F210 HydrophobicContact CD1-CZ 4.06Å; L189-F210 HydrophobicContact CD2-CZ 4.17Å; L189-F210 HydrophobicContact CG-CZ 4.26Å
190V95.3Very high90.4Very high0 Ų050 Ų500%023%0.234CC..EExtended strand (participates in β ladder)trans-99.5130-176.6-170.80000109.4I30 E31 R32 V34 Y132 I141 F167I30-V190 WeakPolarHBondContact CA-O 3.36Å; E31-V190 PolarHBondContact N-O 2.92Å; R32-V190 HydrophobicContact CB-CB 4.05Å; R32-V190 HydrophobicContact CB-CG2 4.13Å; R32-V190 PolarHBondContact N-O 3.24Å; R32-V190 PolarHBondContact O-N 3.35Å; V34-V190 HydrophobicContact CG2-CG2 3.98Å; Y132-V190 HydrophobicContact CE2-CG1 3.84Å; I141-V190 HydrophobicContact CD1-CG1 4.21Å; I141-V190 HydrophobicContact CD1-CG2 3.71Å; F167-V190 HydrophobicContact CB-CG1 4.4Å; F167-V190 HydrophobicContact CD2-CG1 4.16Å; F167-V190 HydrophobicContact CG-CG1 4.43Å
191L94.6Very high91.3Very high1 Ų150.9 Ų50.91%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-141.3162-179.159.9146.8000110.9G29 F167 A168 R195 F199G29-L191 WeakPolarHBondContact O-CA 3.42Å; G29-L191 WeakPolarHBondContact O-CB 3.45Å; F167-L191 CarbonylContact C-O 2.84Å; F167-L191 VanDerWaalsContact CA-O 3.24Å; F167-L191 WeakPolarHBondContact CA-O 3.35Å; F167-L191 VanDerWaalsContact CB-O 3.27Å; F167-L191 WeakPolarHBondContact CB-O 3.15Å; A168-L191 HydrophobicContact CB-CD2 4.44Å; A168-L191 HydrophobicContact CB-CG 4.2Å; A168-L191 PolarHBondContact N-O 3.41Å; A168-L191 WeakPolarHBondContact O-CD2 3.39Å; A168-L191 PolarHBondContact O-N 2.93Å; L191-R195 HydrophobicContact CD1-CB 3.87Å; L191-R195 WeakPolarHBondContact CD1-O 3.31Å; L191-F199 HydrophobicContact CD1-CB 3.65Å; L191-F199 HydrophobicContact CD1-CG 4.2Å; L191-F199 HydrophobicContact CD2-CB 4.45Å; L191-F199 HydrophobicContact CD2-CD1 4.5Å; L191-F199 HydrophobicContact CD2-CD2 4.12Å; L191-F199 HydrophobicContact CD2-CG 4.11Å
192N92.3Very high91.6Very high53 Ų5344.5 Ų44.528%0.28321%0.208SC..EExtended strand (participates in β ladder)trans-60.3139.7169.4-167.3-73.6000111.4K194 R195N192-K194 PolarHBondContact O-N 3.11Å; N192-K194 VanDerWaalsContact O-N 3.16Å; N192-K194 WeakPolarHBondContact OD1-CB 3.44Å; N192-K194 WeakPolarHBondContact OD1-CG 3.39Å; N192-K194 PolarHBondContact OD1-N 3.16Å; N192-R195 HydrophobicContact CB-CG 4.3Å; N192-R195 WeakPolarHBondContact O-CB 3.34Å; N192-R195 PolarHBondContact O-N 3.22Å
193E91.5Very high91.8Very high41 Ų4140.9 Ų40.919%0.19219%0.191CC..G310 helixtrans-59.4-30.9-177.9-169.3-116.6158.200112.7R161 R166 R195 V196R161-E193 IonicContact CZ-OE1 2.87Å; R161-E193 IonicContact NE-OE1 2.56Å; R161-E193 IonicContact NH2-OE1 3.97Å; R161-E193 PolarHBondContact NH2-OE1 3.35Å; R166-E193 PolarHBondContact O-N 2.89Å; E193-R195 PolarHBondContact O-N 2.86Å; E193-R195 VanDerWaalsContact O-N 3.11Å; E193-V196 WeakPolarHBondContact O-CG2 3.34Å; E193-V196 PolarHBondContact O-N 3.31Å
194K92.4Very high91.6Very high183 Ų18345.3 Ų45.380%0.79622%0.22SC*.G310 helixtrans-66-12.3175.3-62.2-179.2179.9-179.90113.6N192N192-K194 PolarHBondContact O-N 3.11Å; N192-K194 VanDerWaalsContact O-N 3.16Å; N192-K194 WeakPolarHBondContact OD1-CB 3.44Å; N192-K194 WeakPolarHBondContact OD1-CG 3.39Å; N192-K194 PolarHBondContact OD1-N 3.16Å
195R91.1Very high91.4Very high61 Ų6148.1 Ų48.123%0.2323%0.231CC..G310 helixtrans-103.88.7-177-63-161.962.9162.5-2.5113.7L191 N192 E193 D197 W198 F199 E248L191-R195 HydrophobicContact CD1-CB 3.87Å; L191-R195 WeakPolarHBondContact CD1-O 3.31Å; N192-R195 HydrophobicContact CB-CG 4.3Å; N192-R195 WeakPolarHBondContact O-CB 3.34Å; N192-R195 PolarHBondContact O-N 3.22Å; E193-R195 PolarHBondContact O-N 2.86Å; E193-R195 VanDerWaalsContact O-N 3.11Å; R195-D197 VanDerWaalsContact C-N 3.32Å; R195-D197 PolarHBondContact O-N 2.75Å; R195-W198 HydrophobicContact CB-CE3 4.35Å; R195-W198 WeakPolarHBondContact O-CB 3.24Å; R195-W198 PolarHBondContact O-N 2.96Å; R195-W198 VanDerWaalsContact O-N 3.16Å; R195-F199 PolarHBondContact O-N 3.27Å; R195-E248 IonicContact CZ-OE1 3.79Å; R195-E248 VanDerWaalsContact CZ-OE1 3.23Å; R195-E248 IonicContact CZ-OE2 3.6Å; R195-E248 IonicContact NH1-OE1 3.39Å; R195-E248 PolarHBondContact NH1-OE1 3.35Å; R195-E248 IonicContact NH1-OE2 2.74Å; R195-E248 PolarHBondContact NH1-OE2 3.47Å; R195-E248 IonicContact NH2-OE1 2.85Å; R195-E248 PolarHBondContact NH2-OE1 2.96Å; R195-E248 IonicContact NH2-OE2 3.22Å; R195-E248 PolarHBondContact NH2-OE2 2.76Å
196V90.7Very high91.4Very high8 Ų848 Ų485%0.04823%0.23CC..Hα-helixtrans-56.6-44.6179.1170.80000111.8V159 R161 A168 E193 W198 F199 L200V159-V196 HydrophobicContact CG1-CG1 4.43Å; R161-V196 HydrophobicContact CG-CG2 4.11Å; A168-V196 HydrophobicContact CB-CG2 3.22Å; E193-V196 WeakPolarHBondContact O-CG2 3.34Å; E193-V196 PolarHBondContact O-N 3.31Å; V196-W198 VanDerWaalsContact C-N 3.29Å; V196-W198 PolarHBondContact O-N 3.23Å; V196-F199 WeakPolarHBondContact O-CA 3.46Å; V196-F199 WeakPolarHBondContact O-CB 3.31Å; V196-F199 PolarHBondContact O-N 3.36Å; V196-L200 HydrophobicContact CG1-CD1 4Å; V196-L200 HydrophobicContact CG1-CG 4.2Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 2.82Å
197D90.5Very high91.1Very high114 Ų11451.7 Ų51.761%0.6125%0.248SC*.Hα-helixtrans-64.3-35.8179.9-64.3-26.6000112.6R195 F199 K201R195-D197 VanDerWaalsContact C-N 3.32Å; R195-D197 PolarHBondContact O-N 2.75Å; D197-F199 VanDerWaalsContact C-N 3.35Å; D197-K201 WeakPolarHBondContact O-CG 3.34Å; D197-K201 PolarHBondContact O-N 3.12Å
198W90.4Very high90.7Very high51 Ų5153.1 Ų53.119%0.19326%0.257CS..Hα-helixtrans-63.3-43.7172.3165.686.9000110.7G29 I30 R195 V196 K201 L202 E248G29-W198 VanDerWaalsContact N-CH2 3.25Å; I30-W198 HydrophobicContact CG1-CH2 4.27Å; I30-W198 HydrophobicContact CG1-CZ3 4.38Å; R195-W198 HydrophobicContact CB-CE3 4.35Å; R195-W198 WeakPolarHBondContact O-CB 3.24Å; R195-W198 PolarHBondContact O-N 2.96Å; R195-W198 VanDerWaalsContact O-N 3.16Å; V196-W198 VanDerWaalsContact C-N 3.29Å; V196-W198 PolarHBondContact O-N 3.23Å; W198-K201 PolarHBondContact O-N 2.86Å; W198-L202 HydrophobicContact CD2-CD1 3.91Å; W198-L202 VanDerWaalsContact CE2-CD1 3.41Å; W198-L202 HydrophobicContact CE3-CD1 4.2Å; W198-L202 HydrophobicContact CH2-CD1 3.62Å; W198-L202 HydrophobicContact CZ2-CD1 3.29Å; W198-L202 HydrophobicContact CZ3-CD1 4.06Å; W198-L202 PolarHBondContact O-N 3.17Å; W198-E248 WeakPolarHBondContact CZ2-OE2 3.15Å
199F91.7Very high90.5Very high1 Ų154.7 Ų54.70%0.00426%0.264CS..Hα-helixtrans-65.7-40.6178.6-177.5-103.2000112.7V159 L189 L191 R195 V196 D197 K201 L202 Q203 L206V159-F199 HydrophobicContact CG2-CD1 4.33Å; V159-F199 HydrophobicContact CG2-CE1 4.03Å; L189-F199 HydrophobicContact CB-CE2 4.22Å; L189-F199 HydrophobicContact CD1-CE2 3.79Å; L189-F199 HydrophobicContact CD1-CZ 4.21Å; L191-F199 HydrophobicContact CD1-CB 3.65Å; L191-F199 HydrophobicContact CD1-CG 4.2Å; L191-F199 HydrophobicContact CD2-CB 4.45Å; L191-F199 HydrophobicContact CD2-CD1 4.5Å; L191-F199 HydrophobicContact CD2-CD2 4.12Å; L191-F199 HydrophobicContact CD2-CG 4.11Å; R195-F199 PolarHBondContact O-N 3.27Å; V196-F199 WeakPolarHBondContact O-CA 3.46Å; V196-F199 WeakPolarHBondContact O-CB 3.31Å; V196-F199 PolarHBondContact O-N 3.36Å; D197-F199 VanDerWaalsContact C-N 3.35Å; F199-K201 VanDerWaalsContact C-N 3.31Å; F199-K201 PolarHBondContact O-N 3.4Å; F199-L202 WeakPolarHBondContact O-CB 3.35Å; F199-L202 PolarHBondContact O-N 2.89Å; F199-Q203 PolarHBondContact O-N 2.93Å; F199-L206 HydrophobicContact CD2-CD1 3.98Å; F199-L206 HydrophobicContact CE2-CD1 3.34Å; F199-L206 HydrophobicContact CZ-CD1 3.8Å
200L90.9Very high90.3Very high83 Ų8354.9 Ų54.944%0.43526%0.264SS..Hα-helixtrans-61.9-38.2176.7-69.1175.1000112V159 V196 L202 Q203V159-L200 HydrophobicContact CG2-CD2 4.01Å; V196-L200 HydrophobicContact CG1-CD1 4Å; V196-L200 HydrophobicContact CG1-CG 4.2Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 2.82Å; L200-L202 PolarHBondContact O-N 3.24Å; L200-Q203 WeakPolarHBondContact O-CB 3.39Å; L200-Q203 PolarHBondContact O-N 2.88Å
201K88.4Confident89.9Confident172 Ų17257.6 Ų57.675%0.74828%0.277SS*.Hα-helixtrans-64.1-24174.2-70.8171.6-176.2178.30113.2D197 W198 F199D197-K201 WeakPolarHBondContact O-CG 3.34Å; D197-K201 PolarHBondContact O-N 3.12Å; W198-K201 PolarHBondContact O-N 2.86Å; F199-K201 VanDerWaalsContact C-N 3.31Å; F199-K201 PolarHBondContact O-N 3.4Å
202L89.6Confident89.5Confident24 Ų2458.8 Ų58.813%0.12628%0.284CS..Hα-helixtrans-87.5-11.4178.1-66.7174.1000113.5W198 F199 L200 P204 F205 L206 L244W198-L202 HydrophobicContact CD2-CD1 3.91Å; W198-L202 VanDerWaalsContact CE2-CD1 3.41Å; W198-L202 HydrophobicContact CE3-CD1 4.2Å; W198-L202 HydrophobicContact CH2-CD1 3.62Å; W198-L202 HydrophobicContact CZ2-CD1 3.29Å; W198-L202 HydrophobicContact CZ3-CD1 4.06Å; W198-L202 PolarHBondContact O-N 3.17Å; F199-L202 WeakPolarHBondContact O-CB 3.35Å; F199-L202 PolarHBondContact O-N 2.89Å; L200-L202 PolarHBondContact O-N 3.24Å; L202-P204 VanDerWaalsContact C-CD 3.47Å; L202-F205 WeakPolarHBondContact O-CA 3.48Å; L202-F205 WeakPolarHBondContact O-CB 3.39Å; L202-F205 PolarHBondContact O-N 3.35Å; L202-L206 HydrophobicContact CB-CD1 4.07Å; L202-L206 HydrophobicContact CB-CG 4.23Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.19Å; L202-L244 HydrophobicContact CD1-CD2 3.94Å; L202-L244 HydrophobicContact CD2-CD2 4.3Å
203Q88.4Confident89.5Confident30 Ų3056.7 Ų56.714%0.1427%0.272CS..Hα-helixtrans-52.7-43.1-178.7-76.9-63.5-27.800114.2Y172 F199 L200 F205 L206 Q207Y172-Q203 PolarHBondContact OH-NE2 2.9Å; Y172-Q203 PolarHBondContact OH-OE1 2.9Å; Y172-Q203 VanDerWaalsContact OH-OE1 3.09Å; F199-Q203 PolarHBondContact O-N 2.93Å; L200-Q203 WeakPolarHBondContact O-CB 3.39Å; L200-Q203 PolarHBondContact O-N 2.88Å; Q203-F205 PolarHBondContact O-N 3.41Å; Q203-F205 VanDerWaalsContact O-N 3.1Å; Q203-L206 PolarHBondContact O-N 3.3Å; Q203-Q207 WeakPolarHBondContact O-CB 3.42Å; Q203-Q207 PolarHBondContact O-N 3.39Å
204P84.4Confident89.5Confident99 Ų9955.5 Ų55.564%0.64327%0.267SS*.Hα-helixtrans-59.7-23.8176.4-25.135.7000114.2L202 P208L202-P204 VanDerWaalsContact C-CD 3.47Å; P204-P208 WeakPolarHBondContact O-CD 3.18Å; P204-P208 WeakPolarHBondContact O-CG 3.48Å
205F86.5Confident89.3Confident86 Ų8650 Ų5038%0.37725%0.249SC..Hα-helixtrans-89.1-43.1174.8175.4-95.4000112.2L202 Q203 L240 V243 L244 L247L202-F205 WeakPolarHBondContact O-CA 3.48Å; L202-F205 WeakPolarHBondContact O-CB 3.39Å; L202-F205 PolarHBondContact O-N 3.35Å; Q203-F205 PolarHBondContact O-N 3.41Å; Q203-F205 VanDerWaalsContact O-N 3.1Å; F205-L240 HydrophobicContact CE1-CD1 4.04Å; F205-V243 HydrophobicContact CE1-CG1 4.13Å; F205-V243 HydrophobicContact CE2-CG1 4.3Å; F205-V243 HydrophobicContact CZ-CB 4.47Å; F205-V243 HydrophobicContact CZ-CG1 3.54Å; F205-L244 HydrophobicContact CD1-CD2 4.02Å; F205-L244 HydrophobicContact CE1-CD2 3.99Å; F205-L247 HydrophobicContact CD1-CD1 4.44Å; F205-L247 HydrophobicContact CE1-CD1 4.34Å; F205-L247 HydrophobicContact CZ-CD1 4.41Å
206L91.4Very high89.3Confident0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-69.6-40.9-177.3-66.3174.8000112.4Y172 L189 F199 L202 Q203 F209 F210 L240 L244Y172-L206 WeakPolarHBondContact OH-CB 3.16Å; L189-L206 HydrophobicContact CD1-CD1 4.22Å; L189-L206 HydrophobicContact CD1-CD2 4.47Å; F199-L206 HydrophobicContact CD2-CD1 3.98Å; F199-L206 HydrophobicContact CE2-CD1 3.34Å; F199-L206 HydrophobicContact CZ-CD1 3.8Å; L202-L206 HydrophobicContact CB-CD1 4.07Å; L202-L206 HydrophobicContact CB-CG 4.23Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.19Å; Q203-L206 PolarHBondContact O-N 3.3Å; L206-F209 WeakPolarHBondContact O-CB 3.45Å; L206-F209 PolarHBondContact O-N 3.4Å; L206-F209 VanDerWaalsContact O-N 3.17Å; L206-F210 HydrophobicContact CB-CD2 4.36Å; L206-F210 HydrophobicContact CD2-CE2 4.43Å; L206-F210 WeakPolarHBondContact O-CD2 3.44Å; L206-F210 PolarHBondContact O-N 3.5Å; L206-L240 HydrophobicContact CD2-CD1 3.8Å; L206-L240 HydrophobicContact CD2-CD2 4.37Å; L206-L244 HydrophobicContact CD2-CD1 4.07Å; L206-L244 HydrophobicContact CD2-CD2 4.14Å
207Q87.7Confident89.4Confident79 Ų7948.1 Ų48.137%0.36924%0.242SC..Hα-helixtrans-59.1-51.3-175.9173.3-179.24.200112.5Q203 F209 F210 E211Q203-Q207 WeakPolarHBondContact O-CB 3.42Å; Q203-Q207 PolarHBondContact O-N 3.39Å; Q207-F209 VanDerWaalsContact C-N 3.3Å; Q207-F209 PolarHBondContact O-N 3.35Å; Q207-F210 PolarHBondContact O-N 3.41Å; Q207-E211 PolarHBondContact NE2-OE1 2.92Å; Q207-E211 WeakPolarHBondContact O-CG 3.48Å; Q207-E211 PolarHBondContact O-N 2.92Å
208P85.2Confident89.4Confident29 Ų2946.7 Ų46.719%0.18823%0.228CC..Hα-helixtrans-60.2-37.3174.9-23.833.7000113.6P204 E211 D212P204-P208 WeakPolarHBondContact O-CD 3.18Å; P204-P208 WeakPolarHBondContact O-CG 3.48Å; P208-E211 PolarHBondContact O-N 3.45Å; P208-D212 PolarHBondContact O-N 3.03Å
209F90.8Very high89.4Confident34 Ų3445.3 Ų45.315%0.14922%0.224CC..Hα-helixtrans-60.6-48.9175.3173.9-88000110.9L206 Q207 D212 F213 E236 L240L206-F209 WeakPolarHBondContact O-CB 3.45Å; L206-F209 PolarHBondContact O-N 3.4Å; L206-F209 VanDerWaalsContact O-N 3.17Å; Q207-F209 VanDerWaalsContact C-N 3.3Å; Q207-F209 PolarHBondContact O-N 3.35Å; F209-D212 PolarHBondContact O-N 2.91Å; F209-F213 HydrophobicContact CD1-CB 4.37Å; F209-F213 HydrophobicContact CE1-CB 4.03Å; F209-F213 HydrophobicContact CE1-CD1 4.31Å; F209-F213 HydrophobicContact CE1-CG 4.18Å; F209-F213 HydrophobicContact CZ-CB 4.41Å; F209-F213 WeakPolarHBondContact O-CB 3.38Å; F209-F213 PolarHBondContact O-N 3.47Å; F209-E236 HydrophobicContact CZ-CB 4.46Å; F209-L240 HydrophobicContact CD1-CD1 4.04Å; F209-L240 HydrophobicContact CD1-CD2 4.03Å; F209-L240 HydrophobicContact CD1-CG 4.47Å; F209-L240 HydrophobicContact CD2-CD1 4.32Å; F209-L240 HydrophobicContact CE1-CB 4.06Å; F209-L240 HydrophobicContact CE1-CD1 4.21Å; F209-L240 HydrophobicContact CE1-CD2 3.71Å; F209-L240 HydrophobicContact CE1-CG 4.2Å; F209-L240 HydrophobicContact CE2-CB 4.17Å; F209-L240 HydrophobicContact CE2-CD1 4.46Å; F209-L240 HydrophobicContact CG-CD1 4.11Å; F209-L240 HydrophobicContact CZ-CB 3.75Å; F209-L240 HydrophobicContact CZ-CD1 4.42Å; F209-L240 HydrophobicContact CZ-CD2 4.3Å; F209-L240 HydrophobicContact CZ-CG 4.37Å
210F91.8Very high89.4Confident3 Ų345.2 Ų45.21%0.01322%0.224CC..Hα-helixtrans-69.6-32.1-179.9-83.8-79.8000112.9Y172 I187 L189 L206 Q207 F213 V214 L240Y172-F210 HydrophobicContact CD1-CB 3.5Å; Y172-F210 HydrophobicContact CD1-CD1 4.18Å; Y172-F210 AromaticContact CD1-CD2 3.85Å; Y172-F210 HydrophobicContact CD1-CD2 3.85Å; Y172-F210 AromaticContact CD1-CG 3.57Å; Y172-F210 HydrophobicContact CD1-CG 3.57Å; Y172-F210 HydrophobicContact CD2-CB 4.43Å; Y172-F210 AromaticContact CD2-CD1 3.67Å; Y172-F210 HydrophobicContact CD2-CD1 3.67Å; Y172-F210 AromaticContact CD2-CD2 3.47Å; Y172-F210 HydrophobicContact CD2-CD2 3.47Å; Y172-F210 VanDerWaalsContact CD2-CD2 3.47Å; Y172-F210 AromaticContact CD2-CE1 3.67Å; Y172-F210 HydrophobicContact CD2-CE1 3.67Å; Y172-F210 AromaticContact CD2-CE2 3.48Å; Y172-F210 HydrophobicContact CD2-CE2 3.48Å; Y172-F210 VanDerWaalsContact CD2-CE2 3.48Å; Y172-F210 AromaticContact CD2-CG 3.57Å; Y172-F210 HydrophobicContact CD2-CG 3.57Å; Y172-F210 AromaticContact CD2-CZ 3.58Å; Y172-F210 HydrophobicContact CD2-CZ 3.58Å; Y172-F210 HydrophobicContact CE1-CB 3.87Å; Y172-F210 AromaticContact CE1-CD2 3.68Å; Y172-F210 HydrophobicContact CE1-CD2 3.68Å; Y172-F210 HydrophobicContact CE1-CE2 4.49Å; Y172-F210 AromaticContact CE1-CG 3.88Å; Y172-F210 HydrophobicContact CE1-CG 3.88Å; Y172-F210 HydrophobicContact CE2-CD1 4.36Å; Y172-F210 AromaticContact CE2-CD2 3.28Å; Y172-F210 HydrophobicContact CE2-CD2 3.28Å; Y172-F210 HydrophobicContact CE2-CE1 4.32Å; Y172-F210 AromaticContact CE2-CE2 3.24Å; Y172-F210 HydrophobicContact CE2-CE2 3.24Å; Y172-F210 AromaticContact CE2-CG 3.89Å; Y172-F210 HydrophobicContact CE2-CG 3.89Å; Y172-F210 AromaticContact CE2-CZ 3.8Å; Y172-F210 HydrophobicContact CE2-CZ 3.8Å; Y172-F210 HydrophobicContact CG-CB 3.83Å; Y172-F210 AromaticContact CG-CD1 3.57Å; Y172-F210 HydrophobicContact CG-CD1 3.57Å; Y172-F210 AromaticContact CG-CD2 3.75Å; Y172-F210 HydrophobicContact CG-CD2 3.75Å; Y172-F210 HydrophobicContact CG-CE1 4.05Å; Y172-F210 HydrophobicContact CG-CE2 4.22Å; Y172-F210 AromaticContact CG-CG 3.41Å; Y172-F210 HydrophobicContact CG-CG 3.41Å; Y172-F210 VanDerWaalsContact CG-CG 3.41Å; Y172-F210 HydrophobicContact CG-CZ 4.35Å; Y172-F210 AromaticContact CZ-CD2 3.41Å; Y172-F210 VanDerWaalsContact CZ-CD2 3.41Å; Y172-F210 AromaticContact CZ-CE2 3.82Å; I187-F210 HydrophobicContact CB-CE1 4.07Å; I187-F210 HydrophobicContact CG2-CE1 3.75Å; I187-F210 HydrophobicContact CG2-CZ 4.26Å; L189-F210 HydrophobicContact CD1-CE2 3.88Å; L189-F210 HydrophobicContact CD1-CZ 4.06Å; L189-F210 HydrophobicContact CD2-CZ 4.17Å; L189-F210 HydrophobicContact CG-CZ 4.26Å; L206-F210 HydrophobicContact CB-CD2 4.36Å; L206-F210 HydrophobicContact CD2-CE2 4.43Å; L206-F210 WeakPolarHBondContact O-CD2 3.44Å; L206-F210 PolarHBondContact O-N 3.5Å; Q207-F210 PolarHBondContact O-N 3.41Å; F210-F213 AromaticContact CD1-CD1 3.97Å; F210-F213 HydrophobicContact CD1-CD1 3.97Å; F210-F213 HydrophobicContact CE1-CD1 4.03Å; F210-F213 HydrophobicContact CE1-CE1 4.41Å; F210-F213 PolarHBondContact O-N 3.43Å; F210-V214 WeakPolarHBondContact O-CB 3.28Å; F210-V214 WeakPolarHBondContact O-CG2 3.43Å; F210-V214 PolarHBondContact O-N 2.88Å; F210-L240 HydrophobicContact CE2-CD2 3.96Å; F210-L240 HydrophobicContact CZ-CD2 4.04Å
211E87.3Confident89.5Confident57 Ų5741.9 Ų41.927%0.26621%0.207SC..Hα-helixtrans-57.9-49.1171.1-75.9174.9-170.300111.5Q207 P208 T215 R315Q207-E211 PolarHBondContact NE2-OE1 2.92Å; Q207-E211 WeakPolarHBondContact O-CG 3.48Å; Q207-E211 PolarHBondContact O-N 2.92Å; P208-E211 PolarHBondContact O-N 3.45Å; E211-T215 PolarHBondContact O-N 3.44Å; E211-T215 PolarHBondContact O-OG1 2.96Å; E211-R315 IonicContact OE1-NH1 3.45Å; E211-R315 IonicContact OE2-CZ 3.55Å; E211-R315 VanDerWaalsContact OE2-CZ 3.22Å; E211-R315 IonicContact OE2-NH1 2.75Å; E211-R315 PolarHBondContact OE2-NH1 3.2Å; E211-R315 IonicContact OE2-NH2 2.86Å; E211-R315 PolarHBondContact OE2-NH2 3.18Å
212D87.3Confident89.5Confident27 Ų2738.5 Ų38.514%0.14420%0.196CC..Hα-helixtrans-71.5-39.7179-71.1-12.8000111.6P208 F209 T215 K216 R341 L345P208-D212 PolarHBondContact O-N 3.03Å; F209-D212 PolarHBondContact O-N 2.91Å; D212-T215 PolarHBondContact O-N 3.4Å; D212-K216 PolarHBondContact O-N 3.41Å; D212-R341 IonicContact OD1-NH2 3.66Å; D212-R341 PolarHBondContact OD1-NH2 2.82Å; D212-R341 IonicContact OD2-NH2 2.99Å; D212-R341 PolarHBondContact OD2-NH2 2.92Å; D212-L345 HydrophobicContact CB-CD2 4.32Å
213F91.6Very high89.5Confident9 Ų940.4 Ų40.44%0.03921%0.209CC..Hα-helixtrans-66.3-47.8179.2178.2-124.6000112.2F209 F210 T215 K216 L217 M233 E236 L237F209-F213 HydrophobicContact CD1-CB 4.37Å; F209-F213 HydrophobicContact CE1-CB 4.03Å; F209-F213 HydrophobicContact CE1-CD1 4.31Å; F209-F213 HydrophobicContact CE1-CG 4.18Å; F209-F213 HydrophobicContact CZ-CB 4.41Å; F209-F213 WeakPolarHBondContact O-CB 3.38Å; F209-F213 PolarHBondContact O-N 3.47Å; F210-F213 AromaticContact CD1-CD1 3.97Å; F210-F213 HydrophobicContact CD1-CD1 3.97Å; F210-F213 HydrophobicContact CE1-CD1 4.03Å; F210-F213 HydrophobicContact CE1-CE1 4.41Å; F210-F213 PolarHBondContact O-N 3.43Å; F213-T215 PolarHBondContact O-N 3.35Å; F213-K216 PolarHBondContact O-N 3.15Å; F213-L217 HydrophobicContact CE1-CD2 4.09Å; F213-L217 HydrophobicContact CZ-CD2 4.19Å; F213-L217 VanDerWaalsContact O-CB 3.27Å; F213-L217 WeakPolarHBondContact O-CB 3.41Å; F213-L217 PolarHBondContact O-N 2.96Å; F213-M233 HydrophobicContact CZ-CB 4.38Å; F213-M233 HydrophobicContact CZ-CG 4.16Å; F213-E236 HydrophobicContact CD2-CB 3.73Å; F213-E236 HydrophobicContact CD2-CG 3.87Å; F213-E236 HydrophobicContact CE2-CB 3.49Å; F213-E236 VanDerWaalsContact CE2-CB 3.49Å; F213-E236 HydrophobicContact CE2-CG 3.77Å; F213-E236 HydrophobicContact CZ-CB 4.34Å; F213-L237 HydrophobicContact CE1-CD2 4.44Å
214V91.3Very high89.5Confident15 Ų1539.9 Ų39.99%0.09121%0.207CC..Hα-helixtrans-59.5-37.1176.5164.80000111F174 F210 L217 R218F174-V214 HydrophobicContact CB-CG1 3.48Å; F174-V214 VanDerWaalsContact CB-CG1 3.48Å; F174-V214 HydrophobicContact CB-CG2 4.39Å; F174-V214 HydrophobicContact CD1-CB 4.49Å; F174-V214 HydrophobicContact CD1-CG1 4.03Å; F174-V214 HydrophobicContact CD1-CG2 3.67Å; F174-V214 HydrophobicContact CD2-CG1 3.82Å; F174-V214 HydrophobicContact CE1-CG2 4.11Å; F174-V214 HydrophobicContact CG-CB 4.41Å; F174-V214 HydrophobicContact CG-CG1 3.51Å; F174-V214 HydrophobicContact CG-CG2 4.05Å; F210-V214 WeakPolarHBondContact O-CB 3.28Å; F210-V214 WeakPolarHBondContact O-CG2 3.43Å; F210-V214 PolarHBondContact O-N 2.88Å; V214-L217 PolarHBondContact O-N 3.21Å; V214-R218 HydrophobicContact CG1-CG 4.27Å; V214-R218 WeakPolarHBondContact O-CB 3.4Å; V214-R218 WeakPolarHBondContact O-CG 3.49Å; V214-R218 PolarHBondContact O-N 2.96Å
215T88.5Confident89.8Confident69 Ų6942.6 Ų42.642%0.42321%0.208SC..Hα-helixtrans-61.4-46.8177.5-60.70000111.1E211 D212 F213E211-T215 PolarHBondContact O-N 3.44Å; E211-T215 PolarHBondContact O-OG1 2.96Å; D212-T215 PolarHBondContact O-N 3.4Å; F213-T215 PolarHBondContact O-N 3.35Å
216K90.6Very high89.9Confident25 Ų2542.2 Ų42.211%0.10922%0.217CC..Hα-helixtrans-66.6-39.8175-63.9-179.6-165.4-1710111.5D212 F213 I219 A220 D348 I352D212-K216 PolarHBondContact O-N 3.41Å; F213-K216 PolarHBondContact O-N 3.15Å; K216-I219 PolarHBondContact O-N 3.3Å; K216-A220 WeakPolarHBondContact O-CB 3.21Å; K216-A220 PolarHBondContact O-N 3.23Å; K216-D348 IonicContact NZ-OD2 3.18Å; K216-D348 PolarHBondContact NZ-OD2 3.3Å; K216-I352 HydrophobicContact CB-CD1 3.77Å; K216-I352 HydrophobicContact CG-CD1 4.14Å
217L92.1Very high89.8Confident3 Ų346.5 Ų46.52%0.01624%0.237CC..Hα-helixtrans-67.1-40.2-177.4-174.855.3000112.4F174 I187 F213 V214 I219 A220 I221 L229 M233F174-L217 HydrophobicContact CE1-CD2 3.98Å; F174-L217 HydrophobicContact CE2-CD2 4.24Å; F174-L217 HydrophobicContact CE2-CG 4.29Å; F174-L217 HydrophobicContact CZ-CD2 3.4Å; F174-L217 HydrophobicContact CZ-CG 3.92Å; I187-L217 HydrophobicContact CD1-CD2 4.38Å; I187-L217 HydrophobicContact CG1-CD2 4.4Å; F213-L217 HydrophobicContact CE1-CD2 4.09Å; F213-L217 HydrophobicContact CZ-CD2 4.19Å; F213-L217 VanDerWaalsContact O-CB 3.27Å; F213-L217 WeakPolarHBondContact O-CB 3.41Å; F213-L217 PolarHBondContact O-N 2.96Å; V214-L217 PolarHBondContact O-N 3.21Å; L217-I219 PolarHBondContact O-N 3.03Å; L217-A220 PolarHBondContact O-N 3.47Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CD1-CG1 4.09Å; L217-I221 HydrophobicContact CG-CD1 3.85Å; L217-I221 HydrophobicContact CG-CG1 4.33Å; L217-I221 WeakPolarHBondContact O-CB 3.39Å; L217-I221 VanDerWaalsContact O-CG1 3.25Å; L217-I221 WeakPolarHBondContact O-CG1 3.4Å; L217-I221 PolarHBondContact O-N 3.23Å; L217-L229 HydrophobicContact CD1-CD1 3.58Å; L217-M233 HydrophobicContact CD1-CE 4.2Å; L217-M233 HydrophobicContact CD1-CG 3.66Å; L217-M233 HydrophobicContact CD1-SD 3.67Å; L217-M233 HydrophobicContact CD2-CE 3.96Å
218R91.4Very high89.9Confident84 Ų8446 Ų4632%0.31723%0.234SC..Hα-helixtrans-56.6-39.9173.8-79.6175172.3161.35.8112.3F174 M175 A176 V214F174-R218 HydrophobicContact CD2-CG 3.93Å; F174-R218 HydrophobicContact CE2-CG 4.33Å; M175-R218 PolarHBondContact O-NE 3.06Å; A176-R218 HydrophobicContact CB-CG 4.14Å; V214-R218 HydrophobicContact CG1-CG 4.27Å; V214-R218 WeakPolarHBondContact O-CB 3.4Å; V214-R218 WeakPolarHBondContact O-CG 3.49Å; V214-R218 PolarHBondContact O-N 2.96Å
219I90.8Very high90.3Very high22 Ų2245.4 Ų45.411%0.11323%0.23CC..Hα-helixtrans-72.1-47.8177.6-61.3172.3000109.8K216 L217 I221 L222 V223 A349 I352 L353K216-I219 PolarHBondContact O-N 3.3Å; L217-I219 PolarHBondContact O-N 3.03Å; I219-I221 PolarHBondContact O-N 3.44Å; I219-L222 WeakPolarHBondContact O-CB 3.33Å; I219-L222 PolarHBondContact O-N 2.9Å; I219-V223 WeakPolarHBondContact O-CG2 3.4Å; I219-V223 PolarHBondContact O-N 3.5Å; I219-A349 HydrophobicContact CD1-CB 3.36Å; I219-I352 HydrophobicContact CB-CG2 4.33Å; I219-I352 HydrophobicContact CG2-CB 3.9Å; I219-I352 HydrophobicContact CG2-CG2 3.64Å; I219-L353 HydrophobicContact CG2-CD1 4.41Å; I219-L353 HydrophobicContact CG2-CD2 3.59Å; I219-L353 HydrophobicContact CG2-CG 3.6Å
220A92.2Very high90.5Very high0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-59.5-42.4179.700000112.2K216 L217 L222 V223 D224 L229 I352K216-A220 WeakPolarHBondContact O-CB 3.21Å; K216-A220 PolarHBondContact O-N 3.23Å; L217-A220 PolarHBondContact O-N 3.47Å; A220-L222 PolarHBondContact O-N 3.31Å; A220-L222 VanDerWaalsContact O-N 3.16Å; A220-V223 PolarHBondContact O-N 3.45Å; A220-D224 HydrophobicContact CB-CB 4.46Å; A220-D224 WeakPolarHBondContact CB-OD2 3.33Å; A220-D224 VanDerWaalsContact O-CB 3.31Å; A220-D224 WeakPolarHBondContact O-CB 3.44Å; A220-D224 PolarHBondContact O-N 2.93Å; A220-L229 HydrophobicContact CB-CD1 3.69Å; A220-I352 HydrophobicContact CB-CG2 4.26Å
221I91.9Very high90.5Very high13 Ų1344.1 Ų44.17%0.06722%0.224CC..Hα-helixtrans-58-30.2175.8-72.1165000112.1W35 F174 A176 H178 L217 I219 L229W35-I221 HydrophobicContact CZ2-CD1 4.47Å; F174-I221 HydrophobicContact CE2-CD1 3.82Å; F174-I221 HydrophobicContact CZ-CD1 4.15Å; A176-I221 HydrophobicContact CB-CB 4.48Å; A176-I221 HydrophobicContact CB-CD1 3.98Å; A176-I221 HydrophobicContact CB-CG2 4.19Å; H178-I221 HydrophobicContact CB-CG2 4.14Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CD1-CG1 4.09Å; L217-I221 HydrophobicContact CG-CD1 3.85Å; L217-I221 HydrophobicContact CG-CG1 4.33Å; L217-I221 WeakPolarHBondContact O-CB 3.39Å; L217-I221 VanDerWaalsContact O-CG1 3.25Å; L217-I221 WeakPolarHBondContact O-CG1 3.4Å; L217-I221 PolarHBondContact O-N 3.23Å; I219-I221 PolarHBondContact O-N 3.44Å; I221-L229 HydrophobicContact CG1-CD1 4.13Å; I221-L229 HydrophobicContact CG1-CD2 4.1Å
222L89.3Confident90.7Very high100 Ų10044.9 Ų44.952%0.52423%0.225SC..Hα-helixtrans-80-32.9-179.5-176.864.8000112.9K177 I219 A220K177-L222 HydrophobicContact CB-CD1 4.43Å; I219-L222 WeakPolarHBondContact O-CB 3.33Å; I219-L222 PolarHBondContact O-N 2.9Å; A220-L222 PolarHBondContact O-N 3.31Å; A220-L222 VanDerWaalsContact O-N 3.16Å
223V89.1Confident91.1Very high65 Ų6543.6 Ų43.639%0.39422%0.218SC..Hα-helixtrans-121.1-31.9-167.1-55.30000115.4I219 A220 I352 L353I219-V223 WeakPolarHBondContact O-CG2 3.4Å; I219-V223 PolarHBondContact O-N 3.5Å; A220-V223 PolarHBondContact O-N 3.45Å; V223-I352 HydrophobicContact CG2-CG2 3.83Å; V223-L353 HydrophobicContact CG1-CD2 3.9Å
224D89Confident91.2Very high19 Ų1943.2 Ų43.210%0.10222%0.216CC..SBendtrans-79.5147.3-174.7-72.1-7.2000110.1A220 E228 L229 R232A220-D224 HydrophobicContact CB-CB 4.46Å; A220-D224 WeakPolarHBondContact CB-OD2 3.33Å; A220-D224 VanDerWaalsContact O-CB 3.31Å; A220-D224 WeakPolarHBondContact O-CB 3.44Å; A220-D224 PolarHBondContact O-N 2.93Å; D224-E228 HydrophobicContact CB-CB 4.04Å; D224-L229 HydrophobicContact CB-CB 4.14Å; D224-R232 IonicContact OD1-NH2 3.33Å; D224-R232 IonicContact OD2-CZ 3.86Å; D224-R232 IonicContact OD2-NE 2.82Å; D224-R232 PolarHBondContact OD2-NE 3.41Å; D224-R232 IonicContact OD2-NH2 3.6Å; D224-R232 PolarHBondContact OD2-NH2 3.27Å
225K89.7Confident91.3Very high155 Ų15543.6 Ų43.667%0.67422%0.22SC*.  trans-69.9163.7166.3-66.3177.8-175.3170.40110.2E227 E228 L229K225-E227 VanDerWaalsContact C-N 3.3Å; K225-E227 PolarHBondContact O-N 3.45Å; K225-E228 PolarHBondContact N-OE2 3.03Å; K225-E228 PolarHBondContact O-N 3.23Å; K225-L229 WeakPolarHBondContact O-CB 3.17Å; K225-L229 PolarHBondContact O-N 3.25Å
226S88.3Confident91.4Very high79 Ų7941.3 Ų41.355%0.55220%0.204SC*.Hα-helixtrans-54.7-42-17851.70000113.7L230S226-L230 WeakPolarHBondContact O-CB 3.32Å; S226-L230 VanDerWaalsContact O-CG 3.27Å; S226-L230 WeakPolarHBondContact O-CG 3.29Å; S226-L230 PolarHBondContact O-N 3.3Å
227E90.5Very high91.6Very high90 Ų9040.1 Ų40.142%0.42120%0.199SC..Hα-helixtrans-64.8-46.3178.7-72.9169-161.800112.3L13 K225 S231L13-E227 HydrophobicContact CD1-CB 4.35Å; L13-E227 HydrophobicContact CD1-CG 3.48Å; L13-E227 VanDerWaalsContact CD1-CG 3.48Å; K225-E227 VanDerWaalsContact C-N 3.3Å; K225-E227 PolarHBondContact O-N 3.45Å; E227-S231 VanDerWaalsContact O-CB 3.3Å; E227-S231 WeakPolarHBondContact O-CB 3.18Å; E227-S231 PolarHBondContact O-N 3.42Å; E227-S231 PolarHBondContact O-OG 3.41Å
228E90.3Very high91.6Very high69 Ų6940.1 Ų40.132%0.32220%0.199SC..Hα-helixtrans-66.2-43.5179.5-68.1170.5169.600111.2D224 K225 S231 R232D224-E228 HydrophobicContact CB-CB 4.04Å; K225-E228 PolarHBondContact N-OE2 3.03Å; K225-E228 PolarHBondContact O-N 3.23Å; E228-S231 PolarHBondContact O-N 3.3Å; E228-R232 WeakPolarHBondContact O-CB 3.04Å; E228-R232 PolarHBondContact O-N 3.04Å
229L92.7Very high91.5Very high16 Ų1639.6 Ų39.68%0.08420%0.197CC..Hα-helixtrans-59.2-52.8176.3176.260.9000111.1W35 L217 A220 I221 D224 K225 S231 R232 M233W35-L229 HydrophobicContact CH2-CD2 3.64Å; W35-L229 HydrophobicContact CH2-CG 4.39Å; W35-L229 HydrophobicContact CZ2-CD2 4.42Å; W35-L229 HydrophobicContact CZ3-CD2 4.37Å; L217-L229 HydrophobicContact CD1-CD1 3.58Å; A220-L229 HydrophobicContact CB-CD1 3.69Å; I221-L229 HydrophobicContact CG1-CD1 4.13Å; I221-L229 HydrophobicContact CG1-CD2 4.1Å; D224-L229 HydrophobicContact CB-CB 4.14Å; K225-L229 WeakPolarHBondContact O-CB 3.17Å; K225-L229 PolarHBondContact O-N 3.25Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.23Å; L229-R232 PolarHBondContact O-N 3.37Å; L229-M233 HydrophobicContact CD1-CG 4.37Å; L229-M233 HydrophobicContact CD1-SD 4.23Å; L229-M233 HydrophobicContact CG-SD 4.25Å; L229-M233 VanDerWaalsContact O-CG 3.31Å; L229-M233 WeakPolarHBondContact O-CG 3.47Å; L229-M233 PolarHBondContact O-N 3.08Å
230L94.5Very high91.6Very high10 Ų1038.6 Ų38.65%0.05219%0.192CC..Hα-helixtrans-63.4-39.5179.7-74.9174.2000111.6V9 L13 W35 F48 W50 S226 M233 T234V9-L230 HydrophobicContact CG1-CB 3.53Å; V9-L230 HydrophobicContact CG1-CD1 4.17Å; V9-L230 HydrophobicContact CG2-CB 4.22Å; L13-L230 HydrophobicContact CD1-CD1 4.15Å; L13-L230 HydrophobicContact CD2-CD1 3.81Å; L13-L230 HydrophobicContact CG-CD1 4.26Å; W35-L230 HydrophobicContact CE3-CD2 4.13Å; W35-L230 HydrophobicContact CZ3-CD2 3.85Å; F48-L230 HydrophobicContact CB-CD2 3.88Å; F48-L230 HydrophobicContact CD1-CD2 3.91Å; F48-L230 HydrophobicContact CD2-CD1 4.05Å; F48-L230 HydrophobicContact CD2-CD2 3.92Å; F48-L230 HydrophobicContact CE1-CD2 4.39Å; F48-L230 HydrophobicContact CE2-CD1 4.02Å; F48-L230 HydrophobicContact CE2-CD2 4.42Å; F48-L230 HydrophobicContact CG-CD2 3.63Å; W50-L230 HydrophobicContact CH2-CD2 4.36Å; W50-L230 HydrophobicContact CZ2-CD2 4.13Å; S226-L230 WeakPolarHBondContact O-CB 3.32Å; S226-L230 VanDerWaalsContact O-CG 3.27Å; S226-L230 WeakPolarHBondContact O-CG 3.29Å; S226-L230 PolarHBondContact O-N 3.3Å; L230-M233 PolarHBondContact O-N 2.9Å; L230-T234 VanDerWaalsContact O-CB 3.3Å; L230-T234 WeakPolarHBondContact O-CB 3.38Å; L230-T234 PolarHBondContact O-N 3.29Å; L230-T234 PolarHBondContact O-OG1 3.29Å
231S92.8Very high91.6Very high0 Ų038.7 Ų38.70%019%0.193CC..Hα-helixtrans-67.4-38.2178-55.80000112.1M1 V5 E227 E228 L229 T234 S235M1-S231 WeakPolarHBondContact SD-CB 3.18Å; V5-S231 WeakPolarHBondContact CG1-O 3.34Å; E227-S231 VanDerWaalsContact O-CB 3.3Å; E227-S231 WeakPolarHBondContact O-CB 3.18Å; E227-S231 PolarHBondContact O-N 3.42Å; E227-S231 PolarHBondContact O-OG 3.41Å; E228-S231 PolarHBondContact O-N 3.3Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.23Å; S231-T234 PolarHBondContact O-N 3.32Å; S231-S235 WeakPolarHBondContact O-CB 3.24Å; S231-S235 PolarHBondContact O-N 2.98Å
232R91.8Very high91.5Very high72 Ų7239 Ų3927%0.27220%0.195SC..Hα-helixtrans-63.3-48.1173.1-174.4-174.4-56.1-73.61.7111.5D224 E228 L229 T234 S235 E236D224-R232 IonicContact OD1-NH2 3.33Å; D224-R232 IonicContact OD2-CZ 3.86Å; D224-R232 IonicContact OD2-NE 2.82Å; D224-R232 PolarHBondContact OD2-NE 3.41Å; D224-R232 IonicContact OD2-NH2 3.6Å; D224-R232 PolarHBondContact OD2-NH2 3.27Å; E228-R232 WeakPolarHBondContact O-CB 3.04Å; E228-R232 PolarHBondContact O-N 3.04Å; L229-R232 PolarHBondContact O-N 3.37Å; R232-T234 VanDerWaalsContact C-N 3.35Å; R232-S235 PolarHBondContact O-N 3.36Å; R232-E236 WeakPolarHBondContact O-CG 3.36Å; R232-E236 PolarHBondContact O-N 3.16Å; R232-E236 VanDerWaalsContact O-N 3.14Å
233M94.7Very high91.5Very high1 Ų135.7 Ų35.71%0.00518%0.178CC..Hα-helixtrans-59.6-46.5176.4-70.5179.776.500111.2W35 W50 I187 F213 L217 L229 L230 S235 E236 L237W35-M233 HydrophobicContact CB-CE 4.3Å; W35-M233 HydrophobicContact CD2-CE 3.8Å; W35-M233 HydrophobicContact CD2-SD 4.17Å; W35-M233 HydrophobicContact CE3-CE 4Å; W35-M233 HydrophobicContact CE3-SD 3.89Å; W35-M233 HydrophobicContact CG-CE 3.94Å; W35-M233 HydrophobicContact CH2-SD 4.28Å; W35-M233 HydrophobicContact CZ3-SD 3.95Å; W50-M233 HydrophobicContact CH2-CB 4.03Å; W50-M233 HydrophobicContact CH2-CE 3.59Å; W50-M233 HydrophobicContact CH2-SD 4.1Å; W50-M233 HydrophobicContact CZ2-CB 3.83Å; W50-M233 HydrophobicContact CZ3-CE 4.19Å; I187-M233 HydrophobicContact CD1-CE 3.45Å; I187-M233 VanDerWaalsContact CD1-CE 3.45Å; F213-M233 HydrophobicContact CZ-CB 4.38Å; F213-M233 HydrophobicContact CZ-CG 4.16Å; L217-M233 HydrophobicContact CD1-CE 4.2Å; L217-M233 HydrophobicContact CD1-CG 3.66Å; L217-M233 HydrophobicContact CD1-SD 3.67Å; L217-M233 HydrophobicContact CD2-CE 3.96Å; L229-M233 HydrophobicContact CD1-CG 4.37Å; L229-M233 HydrophobicContact CD1-SD 4.23Å; L229-M233 HydrophobicContact CG-SD 4.25Å; L229-M233 VanDerWaalsContact O-CG 3.31Å; L229-M233 WeakPolarHBondContact O-CG 3.47Å; L229-M233 PolarHBondContact O-N 3.08Å; L230-M233 PolarHBondContact O-N 2.9Å; M233-S235 VanDerWaalsContact C-N 3.32Å; M233-S235 PolarHBondContact O-N 2.88Å; M233-E236 PolarHBondContact O-N 3.32Å; M233-L237 WeakPolarHBondContact O-CB 3.35Å; M233-L237 VanDerWaalsContact O-CG 3.26Å; M233-L237 WeakPolarHBondContact O-CG 3.31Å; M233-L237 PolarHBondContact O-N 3.36Å
234T94.5Very high91.6Very high0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-59.3-42.8179.2-54.90000111.2V5 V9 L22 W50 L230 S231 R232 N238V5-T234 HydrophobicContact CG1-CG2 3.78Å; V9-T234 HydrophobicContact CG2-CG2 4.39Å; V9-T234 VanDerWaalsContact CG2-OG1 3.25Å; V9-T234 WeakPolarHBondContact CG2-OG1 3.43Å; L22-T234 HydrophobicContact CD1-CG2 3.76Å; W50-T234 PolarHBondContact NE1-OG1 2.98Å; L230-T234 VanDerWaalsContact O-CB 3.3Å; L230-T234 WeakPolarHBondContact O-CB 3.38Å; L230-T234 PolarHBondContact O-N 3.29Å; L230-T234 PolarHBondContact O-OG1 3.29Å; S231-T234 PolarHBondContact O-N 3.32Å; R232-T234 VanDerWaalsContact C-N 3.35Å; T234-N238 VanDerWaalsContact O-CB 3.27Å; T234-N238 WeakPolarHBondContact O-CB 3.27Å; T234-N238 PolarHBondContact O-N 2.85Å
235S92.2Very high91.6Very high24 Ų2431.8 Ų31.817%0.16816%0.155CC..Hα-helixtrans-63.3-44.8177.5-178.30000113S231 R232 M233 Y239S231-S235 WeakPolarHBondContact O-CB 3.24Å; S231-S235 PolarHBondContact O-N 2.98Å; R232-S235 PolarHBondContact O-N 3.36Å; M233-S235 VanDerWaalsContact C-N 3.32Å; M233-S235 PolarHBondContact O-N 2.88Å; S235-Y239 PolarHBondContact O-N 3.37Å
236E91.7Very high91.4Very high21 Ų2127.7 Ų27.710%0.09814%0.14CC..Hα-helixtrans-69.3-40.9179.4-64.5-73.3-177.700111.5R61 F209 F213 R232 M233 Y239 L240R61-E236 IonicContact CZ-OE1 3.64Å; R61-E236 IonicContact CZ-OE2 2.89Å; R61-E236 IonicContact NH2-OE1 3.79Å; R61-E236 PolarHBondContact NH2-OE1 2.86Å; R61-E236 IonicContact NH2-OE2 3.38Å; R61-E236 PolarHBondContact NH2-OE2 2.99Å; R61-E236 VanDerWaalsContact NH2-OE2 3.07Å; F209-E236 HydrophobicContact CZ-CB 4.46Å; F213-E236 HydrophobicContact CD2-CB 3.73Å; F213-E236 HydrophobicContact CD2-CG 3.87Å; F213-E236 HydrophobicContact CE2-CB 3.49Å; F213-E236 VanDerWaalsContact CE2-CB 3.49Å; F213-E236 HydrophobicContact CE2-CG 3.77Å; F213-E236 HydrophobicContact CZ-CB 4.34Å; R232-E236 WeakPolarHBondContact O-CG 3.36Å; R232-E236 PolarHBondContact O-N 3.16Å; R232-E236 VanDerWaalsContact O-N 3.14Å; M233-E236 PolarHBondContact O-N 3.32Å; E236-Y239 PolarHBondContact O-N 2.92Å; E236-L240 PolarHBondContact O-N 2.99Å
237L94.1Very high91.2Very high0 Ų026.8 Ų26.80%013%0.129CC..Hα-helixtrans-67.3-38.7177-69.5174.3000112V33 W50 F213 M233 Y239 L240 L241V33-L237 HydrophobicContact CB-CD1 4.34Å; V33-L237 HydrophobicContact CG1-CD1 3.83Å; V33-L237 HydrophobicContact CG1-CD2 4Å; W50-L237 HydrophobicContact CD2-CD1 3.63Å; W50-L237 HydrophobicContact CE3-CD1 3.52Å; W50-L237 HydrophobicContact CG-CD1 4.32Å; W50-L237 HydrophobicContact CH2-CD1 3.99Å; W50-L237 HydrophobicContact CZ2-CD1 4.06Å; W50-L237 HydrophobicContact CZ3-CD1 3.71Å; F213-L237 HydrophobicContact CE1-CD2 4.44Å; M233-L237 WeakPolarHBondContact O-CB 3.35Å; M233-L237 VanDerWaalsContact O-CG 3.26Å; M233-L237 WeakPolarHBondContact O-CG 3.31Å; M233-L237 PolarHBondContact O-N 3.36Å; L237-Y239 VanDerWaalsContact C-N 3.34Å; L237-Y239 PolarHBondContact O-N 2.92Å; L237-L240 WeakPolarHBondContact O-CB 3.3Å; L237-L240 PolarHBondContact O-N 3.01Å; L237-L241 WeakPolarHBondContact O-CB 3.29Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.34Å
238N92.3Very high90.9Very high2 Ų225.5 Ų25.51%0.01112%0.123CC..Hα-helixtrans-61.7-44.7175.2-165.558.3000111.5L22 P23 T59 T234 L240 L241 L242L22-N238 HydrophobicContact CD1-CB 4.1Å; L22-N238 HydrophobicContact CD2-CB 4.34Å; P23-N238 PolarHBondContact O-OD1 3.47Å; T59-N238 PolarHBondContact OG1-ND2 3.05Å; T234-N238 VanDerWaalsContact O-CB 3.27Å; T234-N238 WeakPolarHBondContact O-CB 3.27Å; T234-N238 PolarHBondContact O-N 2.85Å; N238-L240 PolarHBondContact O-N 2.82Å; N238-L241 PolarHBondContact O-N 3Å; N238-L242 WeakPolarHBondContact O-CB 3.33Å; N238-L242 PolarHBondContact O-N 3.22Å
239Y89.2Confident90.4Very high73 Ų7328.2 Ų28.229%0.28613%0.13SC..Hα-helixtrans-60.6-44.7175.7178.7-102000111.8S235 E236 L237 L242 V243S235-Y239 PolarHBondContact O-N 3.37Å; E236-Y239 PolarHBondContact O-N 2.92Å; L237-Y239 VanDerWaalsContact C-N 3.34Å; L237-Y239 PolarHBondContact O-N 2.92Å; Y239-L242 PolarHBondContact O-N 2.76Å; Y239-V243 HydrophobicContact CD1-CG2 4.44Å; Y239-V243 HydrophobicContact CE1-CG2 4.03Å; Y239-V243 HydrophobicContact CE2-CG2 4.11Å; Y239-V243 WeakPolarHBondContact O-CG2 3.47Å; Y239-V243 PolarHBondContact O-N 3.19Å
240L92.6Very high89.7Confident2 Ų236.7 Ų36.71%0.0116%0.161CC..Hα-helixtrans-56.7-52.7175.1175.864.1000111.3F205 L206 F209 F210 E236 L237 N238 L242 V243 L244F205-L240 HydrophobicContact CE1-CD1 4.04Å; L206-L240 HydrophobicContact CD2-CD1 3.8Å; L206-L240 HydrophobicContact CD2-CD2 4.37Å; F209-L240 HydrophobicContact CD1-CD1 4.04Å; F209-L240 HydrophobicContact CD1-CD2 4.03Å; F209-L240 HydrophobicContact CD1-CG 4.47Å; F209-L240 HydrophobicContact CD2-CD1 4.32Å; F209-L240 HydrophobicContact CE1-CB 4.06Å; F209-L240 HydrophobicContact CE1-CD1 4.21Å; F209-L240 HydrophobicContact CE1-CD2 3.71Å; F209-L240 HydrophobicContact CE1-CG 4.2Å; F209-L240 HydrophobicContact CE2-CB 4.17Å; F209-L240 HydrophobicContact CE2-CD1 4.46Å; F209-L240 HydrophobicContact CG-CD1 4.11Å; F209-L240 HydrophobicContact CZ-CB 3.75Å; F209-L240 HydrophobicContact CZ-CD1 4.42Å; F209-L240 HydrophobicContact CZ-CD2 4.3Å; F209-L240 HydrophobicContact CZ-CG 4.37Å; F210-L240 HydrophobicContact CE2-CD2 3.96Å; F210-L240 HydrophobicContact CZ-CD2 4.04Å; E236-L240 PolarHBondContact O-N 2.99Å; L237-L240 WeakPolarHBondContact O-CB 3.3Å; L237-L240 PolarHBondContact O-N 3.01Å; N238-L240 PolarHBondContact O-N 2.82Å; L240-L242 VanDerWaalsContact C-N 3.32Å; L240-L242 PolarHBondContact O-N 3.19Å; L240-V243 PolarHBondContact O-N 3.16Å; L240-L244 HydrophobicContact CD1-CD1 4.02Å; L240-L244 HydrophobicContact CD1-CG 4.1Å; L240-L244 HydrophobicContact CG-CD1 3.94Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 VanDerWaalsContact O-CG 3.3Å; L240-L244 WeakPolarHBondContact O-CG 3.49Å; L240-L244 PolarHBondContact O-N 2.83Å
241L93.5Very high88.8Confident1 Ų138.4 Ų38.41%0.00517%0.173CC..Hα-helixtrans-62.3-39.1-177.6-70.2168.1000112.2L22 V24 I30 V52 L237 N238 L244 G245L22-L241 HydrophobicContact CD2-CD1 3.57Å; L22-L241 HydrophobicContact CG-CD1 4.46Å; V24-L241 HydrophobicContact CG1-CB 4.22Å; V24-L241 HydrophobicContact CG2-CB 3.98Å; V24-L241 HydrophobicContact CG2-CD1 4.11Å; I30-L241 HydrophobicContact CB-CD2 3.87Å; I30-L241 HydrophobicContact CD1-CD2 4.1Å; I30-L241 HydrophobicContact CG2-CD2 3.9Å; V52-L241 HydrophobicContact CG2-CD1 3.75Å; V52-L241 HydrophobicContact CG2-CD2 4.11Å; L237-L241 WeakPolarHBondContact O-CB 3.29Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.34Å; N238-L241 PolarHBondContact O-N 3Å; L241-L244 PolarHBondContact O-N 3.49Å; L241-G245 PolarHBondContact O-N 3.34Å
242L89.6Confident87.3Confident21 Ų2146.3 Ų46.311%0.1121%0.208CC..Hα-helixtrans-59.4-49.1173.7178.267.6000111.3Y26 N238 Y239 L240 L244 G245 I246Y26-L242 HydrophobicContact CD2-CD1 3.89Å; Y26-L242 HydrophobicContact CE2-CD1 4.43Å; N238-L242 WeakPolarHBondContact O-CB 3.33Å; N238-L242 PolarHBondContact O-N 3.22Å; Y239-L242 PolarHBondContact O-N 2.76Å; L240-L242 VanDerWaalsContact C-N 3.32Å; L240-L242 PolarHBondContact O-N 3.19Å; L242-L244 PolarHBondContact O-N 2.7Å; L242-G245 PolarHBondContact O-N 2.89Å; L242-I246 HydrophobicContact CD1-CD1 4.3Å; L242-I246 HydrophobicContact CG-CD1 4.13Å; L242-I246 VanDerWaalsContact O-CG1 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.49Å; L242-I246 PolarHBondContact O-N 3.37Å
243V88.4Confident86.1Confident30 Ų3047.6 Ų47.618%0.18224%0.235CC..Hα-helixtrans-62.8-43.8179.4173.90000110.9F205 Y239 L240 G245 I246 L247F205-V243 HydrophobicContact CE1-CG1 4.13Å; F205-V243 HydrophobicContact CE2-CG1 4.3Å; F205-V243 HydrophobicContact CZ-CB 4.47Å; F205-V243 HydrophobicContact CZ-CG1 3.54Å; Y239-V243 HydrophobicContact CD1-CG2 4.44Å; Y239-V243 HydrophobicContact CE1-CG2 4.03Å; Y239-V243 HydrophobicContact CE2-CG2 4.11Å; Y239-V243 WeakPolarHBondContact O-CG2 3.47Å; Y239-V243 PolarHBondContact O-N 3.19Å; L240-V243 PolarHBondContact O-N 3.16Å; V243-G245 PolarHBondContact O-N 3.07Å; V243-I246 PolarHBondContact O-N 3.26Å; V243-L247 HydrophobicContact CG1-CD1 3.86Å; V243-L247 HydrophobicContact CG1-CG 4.27Å; V243-L247 VanDerWaalsContact O-CG 3.3Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.45Å
244L91.4Very high84.6Confident2 Ų250.6 Ų50.61%0.0126%0.259CS..Hα-helixtrans-63-41.2177.7-67.3177.8000112.4I30 L202 F205 L206 L240 L241 L242 I246 L247 E248I30-L244 HydrophobicContact CD1-CD1 3.36Å; L202-L244 HydrophobicContact CD1-CD2 3.94Å; L202-L244 HydrophobicContact CD2-CD2 4.3Å; F205-L244 HydrophobicContact CD1-CD2 4.02Å; F205-L244 HydrophobicContact CE1-CD2 3.99Å; L206-L244 HydrophobicContact CD2-CD1 4.07Å; L206-L244 HydrophobicContact CD2-CD2 4.14Å; L240-L244 HydrophobicContact CD1-CD1 4.02Å; L240-L244 HydrophobicContact CD1-CG 4.1Å; L240-L244 HydrophobicContact CG-CD1 3.94Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 VanDerWaalsContact O-CG 3.3Å; L240-L244 WeakPolarHBondContact O-CG 3.49Å; L240-L244 PolarHBondContact O-N 2.83Å; L241-L244 PolarHBondContact O-N 3.49Å; L242-L244 PolarHBondContact O-N 2.7Å; L244-I246 VanDerWaalsContact C-N 3.34Å; L244-I246 PolarHBondContact O-N 3.47Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.05Å; L244-E248 WeakPolarHBondContact O-CB 3.49Å; L244-E248 PolarHBondContact O-N 2.81Å
245G89.3Confident83.3Confident0 Ų054.9 Ų54.90%029%0.285CS..Hα-helixtrans-63.9-37.417500000113.1Y26 L241 L242 V243 R249Y26-G245 WeakPolarHBondContact O-CA 3.48Å; L241-G245 PolarHBondContact O-N 3.34Å; L242-G245 PolarHBondContact O-N 2.89Å; V243-G245 PolarHBondContact O-N 3.07Å; G245-R249 WeakPolarHBondContact O-CG 3.45Å; G245-R249 PolarHBondContact O-N 3.06Å
246I85.3Confident82.3Confident69 Ų6961.3 Ų61.335%0.35432%0.318SS..Hα-helixtrans-66.1-47.7173-67.7166.5000110.3Y26 L242 V243 L244 E248 R249 R250Y26-I246 HydrophobicContact CD2-CD1 4.35Å; Y26-I246 HydrophobicContact CD2-CG1 3.59Å; Y26-I246 HydrophobicContact CE2-CD1 4.47Å; Y26-I246 HydrophobicContact CE2-CG1 3.94Å; Y26-I246 HydrophobicContact CG-CG1 4.38Å; L242-I246 HydrophobicContact CD1-CD1 4.3Å; L242-I246 HydrophobicContact CG-CD1 4.13Å; L242-I246 VanDerWaalsContact O-CG1 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.49Å; L242-I246 PolarHBondContact O-N 3.37Å; V243-I246 PolarHBondContact O-N 3.26Å; L244-I246 VanDerWaalsContact C-N 3.34Å; L244-I246 PolarHBondContact O-N 3.47Å; I246-E248 VanDerWaalsContact C-N 3.29Å; I246-E248 PolarHBondContact O-N 2.78Å; I246-R249 PolarHBondContact O-N 3.15Å; I246-R249 VanDerWaalsContact O-N 3.17Å; I246-R250 HydrophobicContact CG2-CB 4.36Å; I246-R250 HydrophobicContact CG2-CG 4.32Å; I246-R250 VanDerWaalsContact O-CB 3.27Å; I246-R250 WeakPolarHBondContact O-CB 3.38Å; I246-R250 PolarHBondContact O-N 3.31Å
247L84.9Confident81.5Confident60 Ų6066.9 Ų66.931%0.31434%0.342SS..Hα-helixtrans-59.2-42.3179.6-72.8168.8000111.1F205 V243 L244 R249 S251F205-L247 HydrophobicContact CD1-CD1 4.44Å; F205-L247 HydrophobicContact CE1-CD1 4.34Å; F205-L247 HydrophobicContact CZ-CD1 4.41Å; V243-L247 HydrophobicContact CG1-CD1 3.86Å; V243-L247 HydrophobicContact CG1-CG 4.27Å; V243-L247 VanDerWaalsContact O-CG 3.3Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.45Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.05Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.13Å; L247-S251 WeakPolarHBondContact O-CA 3.41Å; L247-S251 WeakPolarHBondContact O-CB 3.31Å; L247-S251 PolarHBondContact O-N 3.5Å
248E83.2Confident80.8Confident63 Ų6369.9 Ų69.929%0.29436%0.358SS..Hα-helixtrans-62.2-38.2177.9-176.3166.4166.100113S28 G29 R195 W198 L244 I246S28-E248 WeakPolarHBondContact CA-OE2 3.49Å; G29-E248 PolarHBondContact N-OE2 3.26Å; G29-E248 VanDerWaalsContact N-OE2 3.08Å; R195-E248 IonicContact CZ-OE1 3.79Å; R195-E248 VanDerWaalsContact CZ-OE1 3.23Å; R195-E248 IonicContact CZ-OE2 3.6Å; R195-E248 IonicContact NH1-OE1 3.39Å; R195-E248 PolarHBondContact NH1-OE1 3.35Å; R195-E248 IonicContact NH1-OE2 2.74Å; R195-E248 PolarHBondContact NH1-OE2 3.47Å; R195-E248 IonicContact NH2-OE1 2.85Å; R195-E248 PolarHBondContact NH2-OE1 2.96Å; R195-E248 IonicContact NH2-OE2 3.22Å; R195-E248 PolarHBondContact NH2-OE2 2.76Å; W198-E248 WeakPolarHBondContact CZ2-OE2 3.15Å; L244-E248 WeakPolarHBondContact O-CB 3.49Å; L244-E248 PolarHBondContact O-N 2.81Å; I246-E248 VanDerWaalsContact C-N 3.29Å; I246-E248 PolarHBondContact O-N 2.78Å
249R80.3Confident80.5Confident126 Ų12670.1 Ų70.148%0.47536%0.359SS..Hα-helixtrans-89-23.1-176.9-66.1-176.9-173.6-164.95.6114.3G245 I246 L247G245-R249 WeakPolarHBondContact O-CG 3.45Å; G245-R249 PolarHBondContact O-N 3.06Å; I246-R249 PolarHBondContact O-N 3.15Å; I246-R249 VanDerWaalsContact O-N 3.17Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.13Å
250R76.5Confident80.2Confident194 Ų19468.5 Ų68.573%0.73236%0.361SS*.Hα-helixtrans-128.1-4.1-166.6-56.8-64.4-170.1176.91.8114.4I246I246-R250 HydrophobicContact CG2-CB 4.36Å; I246-R250 HydrophobicContact CG2-CG 4.32Å; I246-R250 VanDerWaalsContact O-CB 3.27Å; I246-R250 WeakPolarHBondContact O-CB 3.38Å; I246-R250 PolarHBondContact O-N 3.31Å
251S75.9Confident79.8Confident45 Ų4575 Ų7532%0.31540%0.396SS..SBendtrans-66.2153175.2176.40000111.4L247 A253 A254L247-S251 WeakPolarHBondContact O-CA 3.41Å; L247-S251 WeakPolarHBondContact O-CB 3.31Å; L247-S251 PolarHBondContact O-N 3.5Å; S251-A253 PolarHBondContact O-N 3.08Å; S251-A253 VanDerWaalsContact O-N 3.16Å; S251-A253 PolarHBondContact OG-N 3.44Å; S251-A254 WeakPolarHBondContact O-CB 3.46Å; S251-A254 PolarHBondContact O-N 2.87Å
252F62.9Low79.4Confident166 Ų16676.6 Ų76.673%0.72841%0.405SS*.G310 helixtrans-57.6-22.9168.8-74.1-77.1000112.8A254 V255F252-A254 PolarHBondContact O-N 2.79Å; F252-A254 VanDerWaalsContact O-N 3.14Å; F252-V255 CarbonylContact O-C 3.59Å; F252-V255 PolarHBondContact O-N 3.01Å; F252-V255 VanDerWaalsContact O-N 3.08Å
253A66.6Low79.3Confident100 Ų10080.2 Ų80.283%0.82642%0.422SS*.G310 helixtrans-62.8-19.2171.900000113.2S251S251-A253 PolarHBondContact O-N 3.08Å; S251-A253 VanDerWaalsContact O-N 3.16Å; S251-A253 PolarHBondContact OG-N 3.44Å
254A62.8Low79.1Confident63 Ų6380.9 Ų80.952%0.52142%0.422SS..G310 helixtrans-94.1-6176.700000113.4S251 F252S251-A254 WeakPolarHBondContact O-CB 3.46Å; S251-A254 PolarHBondContact O-N 2.87Å; F252-A254 PolarHBondContact O-N 2.79Å; F252-A254 VanDerWaalsContact O-N 3.14Å
255V67.4Low78.7Confident90 Ų9082.3 Ų82.355%0.54543%0.434SS..SBendtrans-128.8129-176.1-1750000109.3F252 F257F252-V255 CarbonylContact O-C 3.59Å; F252-V255 PolarHBondContact O-N 3.01Å; F252-V255 VanDerWaalsContact O-N 3.08Å; V255-F257 PolarHBondContact O-N 3.48Å; V255-F257 VanDerWaalsContact O-N 3.11Å
256N69.5Low78.4Confident160 Ų16086.6 Ų86.686%0.85645%0.454SS*.  trans-60.9120.9174.1-69.6-27.4000109.4
257F74.7Confident78.2Confident138 Ų13886 Ų8661%0.60546%0.46SS*.  trans-85.8121.3173.6173.4-92.2000109V255 T262V255-F257 PolarHBondContact O-N 3.48Å; V255-F257 VanDerWaalsContact O-N 3.11Å; F257-T262 HydrophobicContact CE2-CG2 3.73Å; F257-T262 HydrophobicContact CZ-CG2 3.85Å
258D81.3Confident78Confident63 Ų6387.6 Ų87.634%0.33747%0.469SS..  trans-116.2131.8167.4-166.1-18.1000109.1A260 D261 N390D258-A260 PolarHBondContact O-N 2.98Å; D258-A260 PolarHBondContact OD1-N 2.8Å; D258-D261 PolarHBondContact O-N 2.92Å; D258-N390 VanDerWaalsContact CG-ND2 3.35Å; D258-N390 PolarHBondContact OD1-ND2 3.48Å; D258-N390 PolarHBondContact OD2-ND2 2.92Å
259I84.6Confident77.7Confident7 Ų784.7 Ų84.74%0.03646%0.455CS..G310 helixtrans-61.8-24.7176.1-160.7166.6000111.7D261 T262 F264 N390 R393 T394I259-D261 PolarHBondContact O-N 3.48Å; I259-T262 WeakPolarHBondContact O-CB 3.45Å; I259-T262 PolarHBondContact O-N 3.29Å; I259-T262 VanDerWaalsContact O-N 3.14Å; I259-T262 PolarHBondContact O-OG1 2.99Å; I259-F264 HydrophobicContact CD1-CB 4.05Å; I259-F264 HydrophobicContact CD1-CD2 4.32Å; I259-F264 HydrophobicContact CG1-CB 3.87Å; I259-F264 HydrophobicContact CG1-CD2 4.27Å; I259-N390 HydrophobicContact CG2-CB 3.82Å; I259-R393 HydrophobicContact CD1-CB 3.91Å; I259-T394 VanDerWaalsContact CG2-OG1 3.3Å; I259-T394 WeakPolarHBondContact CG2-OG1 3.34Å
260A84.5Confident77.6Confident39 Ų3982 Ų8232%0.32245%0.448SS..G310 helixtrans-58.2-29.617300000113.4D258 T262 A265 N390D258-A260 PolarHBondContact O-N 2.98Å; D258-A260 PolarHBondContact OD1-N 2.8Å; A260-T262 PolarHBondContact O-N 3.34Å; A260-A265 WeakPolarHBondContact O-CB 3.37Å; A260-N390 VanDerWaalsContact CB-ND2 3.27Å; A260-N390 WeakPolarHBondContact CB-ND2 3.41Å
261D82.8Confident78Confident139 Ų13977 Ų7774%0.74344%0.439SS*.G310 helixtrans-86.813.7-178.8-62.8-33.7000112.2D258 I259D258-D261 PolarHBondContact O-N 2.92Å; I259-D261 PolarHBondContact O-N 3.48Å
262T86.3Confident78.5Confident34 Ų3477.1 Ų77.121%0.20944%0.436CS..SBendtrans-122.1164-175.277.40000112.1F257 I259 A260 F264 A265F257-T262 HydrophobicContact CE2-CG2 3.73Å; F257-T262 HydrophobicContact CZ-CG2 3.85Å; I259-T262 WeakPolarHBondContact O-CB 3.45Å; I259-T262 PolarHBondContact O-N 3.29Å; I259-T262 VanDerWaalsContact O-N 3.14Å; I259-T262 PolarHBondContact O-OG1 2.99Å; A260-T262 PolarHBondContact O-N 3.34Å; T262-F264 PolarHBondContact O-N 3.4Å; T262-F264 WeakPolarHBondContact OG1-CB 3.44Å; T262-F264 PolarHBondContact OG1-N 2.71Å; T262-A265 WeakPolarHBondContact O-CB 3.14Å; T262-A265 PolarHBondContact O-N 3.13Å
263H86Confident79.8Confident97 Ų9774.6 Ų74.645%0.44943%0.43SS..G310 helixtrans-60-13.6171.9-70.3-68.1000113.8A265 E266 L275H263-A265 PolarHBondContact O-N 3.49Å; H263-E266 IonicContact CE1-OE1 3.83Å; H263-E266 IonicContact CE1-OE2 2.91Å; H263-E266 IonicContact CG-OE2 3.78Å; H263-E266 IonicContact ND1-OE1 3.91Å; H263-E266 PolarHBondContact ND1-OE1 3.35Å; H263-E266 IonicContact ND1-OE2 2.73Å; H263-E266 PolarHBondContact ND1-OE2 3.41Å; H263-E266 PolarHBondContact O-N 2.95Å; H263-L275 HydrophobicContact CB-CD1 3.89Å; H263-L275 HydrophobicContact CB-CD2 3.99Å
264F85.1Confident81Confident43 Ų4371.1 Ų71.119%0.18940%0.396CS..G310 helixtrans-74.6-8.7172.2-60-47.9000113.5I259 T262 V279 F379 L380 R393I259-F264 HydrophobicContact CD1-CB 4.05Å; I259-F264 HydrophobicContact CD1-CD2 4.32Å; I259-F264 HydrophobicContact CG1-CB 3.87Å; I259-F264 HydrophobicContact CG1-CD2 4.27Å; T262-F264 PolarHBondContact O-N 3.4Å; T262-F264 WeakPolarHBondContact OG1-CB 3.44Å; T262-F264 PolarHBondContact OG1-N 2.71Å; F264-V279 HydrophobicContact CE1-CG2 4.34Å; F264-V279 HydrophobicContact CZ-CG2 4.1Å; F264-F379 HydrophobicContact CE1-CE1 4.14Å; F264-F379 HydrophobicContact CZ-CE1 4.4Å; F264-L380 HydrophobicContact CD1-CD2 4.26Å; F264-L380 HydrophobicContact CE1-CD2 3.84Å; F264-R393 WeakPolarHBondContact O-CD 3.48Å; F264-R393 PolarHBondContact O-NH1 3.27Å
265A83.8Confident82.4Confident33 Ų3368.9 Ų68.927%0.27338%0.376SS..G310 helixtrans-89.9-10.8171.600000112.8A260 T262 H263 Y388A260-A265 WeakPolarHBondContact O-CB 3.37Å; T262-A265 WeakPolarHBondContact O-CB 3.14Å; T262-A265 PolarHBondContact O-N 3.13Å; H263-A265 PolarHBondContact O-N 3.49Å; A265-Y388 VanDerWaalsContact O-CD1 3.3Å; A265-Y388 WeakPolarHBondContact O-CD1 3.38Å
266E82.9Confident83.6Confident90 Ų9064.7 Ų64.742%0.42135%0.351SS..SBendtrans-76.6160.2-180-63.5175.9174.300111.4H263 R393H263-E266 IonicContact CE1-OE1 3.83Å; H263-E266 IonicContact CE1-OE2 2.91Å; H263-E266 IonicContact CG-OE2 3.78Å; H263-E266 IonicContact ND1-OE1 3.91Å; H263-E266 PolarHBondContact ND1-OE1 3.35Å; H263-E266 IonicContact ND1-OE2 2.73Å; H263-E266 PolarHBondContact ND1-OE2 3.41Å; H263-E266 PolarHBondContact O-N 2.95Å; E266-R393 PolarHBondContact O-NH1 3.14Å; E266-R393 VanDerWaalsContact O-NH1 3.09Å
267A79.2Confident84.8Confident56 Ų5659.9 Ų59.946%0.46332%0.321SS..SBendtrans-83.4147.8172.100000110.2S269 Y388A267-S269 VanDerWaalsContact C-N 3.31Å; A267-S269 PolarHBondContact O-N 2.89Å; A267-Y388 WeakPolarHBondContact CA-OH 3.37Å; A267-Y388 HydrophobicContact CB-CE1 4.24Å; A267-Y388 WeakPolarHBondContact CB-OH 3.4Å
268N82.5Confident85.7Confident94 Ų9454 Ų5450%0.50330%0.297SS..  trans59.935.9175.8-50.6-44.7000114.1H270 T271 D384N268-H270 PolarHBondContact O-N 2.97Å; N268-H270 VanDerWaalsContact O-N 3.12Å; N268-T271 HydrophobicContact CB-CG2 4.31Å; N268-T271 PolarHBondContact O-N 3.1Å; N268-T271 PolarHBondContact O-OG1 2.79Å; N268-D384 VanDerWaalsContact CA-OD2 3.23Å; N268-D384 WeakPolarHBondContact CA-OD2 3.29Å
269S77.1Confident86.3Confident2 Ų252 Ų521%0.01429%0.287CS..G310 helixtrans-53.4-28.9174.566.80000113.2A267 T271 N272 D384A267-S269 VanDerWaalsContact C-N 3.31Å; A267-S269 PolarHBondContact O-N 2.89Å; S269-T271 VanDerWaalsContact C-N 3.3Å; S269-T271 PolarHBondContact O-N 2.92Å; S269-N272 WeakPolarHBondContact O-CB 3.34Å; S269-N272 PolarHBondContact O-N 3Å; S269-N272 VanDerWaalsContact O-N 3.16Å; S269-D384 WeakPolarHBondContact CB-OD1 2.98Å; S269-D384 VanDerWaalsContact N-CG 3.29Å; S269-D384 PolarHBondContact N-OD1 3.19Å; S269-D384 PolarHBondContact N-OD2 2.91Å; S269-D384 PolarHBondContact OG-OD1 2.89Å; S269-D384 PolarHBondContact OG-OD2 3.17Å
270H77.8Confident86.8Confident68 Ų6851.7 Ų51.732%0.31529%0.285SS..G310 helixtrans-67.7-25.1175.974.7-81.3000114.8N268 N272 L380 N381 D384N268-H270 PolarHBondContact O-N 2.97Å; N268-H270 VanDerWaalsContact O-N 3.12Å; H270-N272 VanDerWaalsContact C-N 3.26Å; H270-L380 HydrophobicContact CB-CB 4.21Å; H270-N381 HydrophobicContact CB-CB 4.45Å; H270-N381 WeakPolarHBondContact CB-OD1 3.17Å; H270-N381 PolarHBondContact CD2-OD1 3.46Å; H270-N381 VanDerWaalsContact CG-OD1 3.22Å; H270-D384 WeakPolarHBondContact CB-OD2 3.18Å; H270-D384 IonicContact CE1-OD2 2.7Å; H270-D384 IonicContact CG-OD2 3.78Å; H270-D384 PolarHBondContact N-OD2 2.77Å; H270-D384 IonicContact ND1-OD2 3.07Å; H270-D384 PolarHBondContact ND1-OD2 2.81Å
271T83.9Confident87.3Confident91 Ų9149.9 Ų49.956%0.55827%0.27SS*.G310 helixtrans-83.5-6.6175.364.30000112.4N268 S269 D273N268-T271 HydrophobicContact CB-CG2 4.31Å; N268-T271 PolarHBondContact O-N 3.1Å; N268-T271 PolarHBondContact O-OG1 2.79Å; S269-T271 VanDerWaalsContact C-N 3.3Å; S269-T271 PolarHBondContact O-N 2.92Å; T271-D273 PolarHBondContact O-N 2.81Å
272N86.9Confident87.8Confident47 Ų4746.5 Ų46.525%0.25125%0.25SC..  trans-88.183.6179.6-170.2-20.5000110S269 H270 F274 L275 A276S269-N272 WeakPolarHBondContact O-CB 3.34Å; S269-N272 PolarHBondContact O-N 3Å; S269-N272 VanDerWaalsContact O-N 3.16Å; H270-N272 VanDerWaalsContact C-N 3.26Å; N272-F274 PolarHBondContact O-N 2.84Å; N272-F274 VanDerWaalsContact O-N 3.13Å; N272-F274 WeakPolarHBondContact OD1-CB 3.17Å; N272-F274 PolarHBondContact OD1-N 3.03Å; N272-L275 HydrophobicContact CB-CB 3.83Å; N272-L275 VanDerWaalsContact CG-CB 3.46Å; N272-L275 WeakPolarHBondContact O-CB 3.28Å; N272-L275 PolarHBondContact O-N 2.91Å; N272-L275 PolarHBondContact OD1-N 2.7Å; N272-A276 PolarHBondContact O-N 2.96Å
273D90.8Very high88.3Confident112 Ų11245.6 Ų45.660%0.59924%0.243SC*.Hα-helixtrans-55.3-30.5177.5-70.8-13.6000112.7T271 R277T271-D273 PolarHBondContact O-N 2.81Å; D273-R277 WeakPolarHBondContact O-CB 3.27Å; D273-R277 WeakPolarHBondContact O-CG 3.24Å; D273-R277 PolarHBondContact O-N 3.48Å; D273-R277 PolarHBondContact O-NE 2.93Å
274F92.1Very high88.6Confident27 Ų2742.7 Ų42.712%0.11823%0.23CC..Hα-helixtrans-67.8-49174.7174.9-112.6000111.4N272 A276 R277 C278 I321 H326 V328N272-F274 PolarHBondContact O-N 2.84Å; N272-F274 VanDerWaalsContact O-N 3.13Å; N272-F274 WeakPolarHBondContact OD1-CB 3.17Å; N272-F274 PolarHBondContact OD1-N 3.03Å; F274-A276 VanDerWaalsContact C-N 3.32Å; F274-A276 PolarHBondContact O-N 2.86Å; F274-R277 WeakPolarHBondContact O-CB 3.33Å; F274-R277 PolarHBondContact O-N 3.09Å; F274-R277 VanDerWaalsContact O-N 3.1Å; F274-C278 VanDerWaalsContact CZ-SG 3.57Å; F274-C278 PolarHBondContact O-N 3.19Å; F274-C278 PolarHBondContact O-SG 2.84Å; F274-I321 HydrophobicContact CE2-CG2 4.08Å; F274-I321 HydrophobicContact CZ-CG2 3.65Å; F274-H326 AromaticContact CD1-ND1 3.47Å; F274-H326 WeakPolarHBondContact CD1-ND1 3.31Å; F274-H326 VanDerWaalsContact CD2-C 3.45Å; F274-H326 HydrophobicContact CD2-CB 4.01Å; F274-H326 VanDerWaalsContact CD2-O 3.31Å; F274-H326 WeakPolarHBondContact CD2-O 3.31Å; F274-H326 AromaticContact CE1-ND1 3.74Å; F274-H326 HydrophobicContact CE2-CB 4.28Å; F274-H326 HydrophobicContact CG-CB 4.23Å; F274-H326 AromaticContact CG-ND1 3.74Å; F274-V328 HydrophobicContact CD2-CG2 3.93Å; F274-V328 HydrophobicContact CE2-CG2 3.71Å
275L91.7Very high89.1Confident16 Ų1640.9 Ų40.98%0.08422%0.222CC..Hα-helixtrans-58.6-44175.6179.564.2000111.5H263 N272 R277 C278 V279 L380H263-L275 HydrophobicContact CB-CD1 3.89Å; H263-L275 HydrophobicContact CB-CD2 3.99Å; N272-L275 HydrophobicContact CB-CB 3.83Å; N272-L275 VanDerWaalsContact CG-CB 3.46Å; N272-L275 WeakPolarHBondContact O-CB 3.28Å; N272-L275 PolarHBondContact O-N 2.91Å; N272-L275 PolarHBondContact OD1-N 2.7Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 3.34Å; L275-C278 WeakPolarHBondContact O-CB 3.12Å; L275-C278 PolarHBondContact O-N 3.4Å; L275-V279 HydrophobicContact CD1-CG2 4.17Å; L275-V279 HydrophobicContact CG-CG2 4.49Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.42Å; L275-L380 HydrophobicContact CD2-CD2 4.31Å
276A93Very high89.5Confident3 Ų340.4 Ų40.43%0.02522%0.215CC..Hα-helixtrans-59.2-42.5175.600000111.4N272 F274 S280 V371 L380N272-A276 PolarHBondContact O-N 2.96Å; F274-A276 VanDerWaalsContact C-N 3.32Å; F274-A276 PolarHBondContact O-N 2.86Å; A276-S280 WeakPolarHBondContact O-CB 3.46Å; A276-S280 PolarHBondContact O-N 2.95Å; A276-V371 HydrophobicContact CB-CB 4.42Å; A276-V371 HydrophobicContact CB-CG1 3.86Å; A276-V371 HydrophobicContact CB-CG2 3.59Å; A276-L380 HydrophobicContact CB-CD1 3.79Å
277R94.3Very high89.9Confident58 Ų5839.2 Ų39.222%0.21922%0.215CC..Hα-helixtrans-64.5-42.6176.5-79.8-176.8-67.1143.33.2111.1D273 F274 L275 A281 H326 V328 H369 V371D273-R277 WeakPolarHBondContact O-CB 3.27Å; D273-R277 WeakPolarHBondContact O-CG 3.24Å; D273-R277 PolarHBondContact O-N 3.48Å; D273-R277 PolarHBondContact O-NE 2.93Å; F274-R277 WeakPolarHBondContact O-CB 3.33Å; F274-R277 PolarHBondContact O-N 3.09Å; F274-R277 VanDerWaalsContact O-N 3.1Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 3.34Å; R277-A281 WeakPolarHBondContact O-CB 3.37Å; R277-A281 PolarHBondContact O-N 3.24Å; R277-H326 PolarHBondContact NH1-O 3.45Å; R277-H326 PolarHBondContact NH2-O 2.92Å; R277-V328 HydrophobicContact CB-CB 4.03Å; R277-V328 HydrophobicContact CB-CG1 4.49Å; R277-V328 HydrophobicContact CB-CG2 3.75Å; R277-H369 WeakPolarHBondContact CD-O 3.25Å; R277-H369 PolarHBondContact O-CD2 3.42Å; R277-V371 HydrophobicContact CB-CG2 3.81Å; R277-V371 HydrophobicContact CG-CB 4.11Å; R277-V371 HydrophobicContact CG-CG2 3.24Å
278C93.9Very high90.5Very high15 Ų1539.8 Ų39.810%0.10121%0.208CC..Hα-helixtrans-59.2-54.3177.7-68.80000111.6F274 L275 A281 H282 I321 V328F274-C278 VanDerWaalsContact CZ-SG 3.57Å; F274-C278 PolarHBondContact O-N 3.19Å; F274-C278 PolarHBondContact O-SG 2.84Å; L275-C278 WeakPolarHBondContact O-CB 3.12Å; L275-C278 PolarHBondContact O-N 3.4Å; C278-A281 PolarHBondContact O-N 3.41Å; C278-H282 WeakPolarHBondContact O-CB 3.48Å; C278-H282 PolarHBondContact O-N 3.35Å; C278-I321 HydrophobicContact CB-CD1 3.81Å; C278-I321 VanDerWaalsContact SG-CG2 3.53Å; C278-V328 VanDerWaalsContact SG-CG2 3.57Å
279V93.6Very high90.9Very high22 Ų2237.2 Ų37.213%0.13320%0.196CC..Hα-helixtrans-64.9-43.3-178.3176.30000110.8F264 L275 H282 L283 V376F264-V279 HydrophobicContact CE1-CG2 4.34Å; F264-V279 HydrophobicContact CZ-CG2 4.1Å; L275-V279 HydrophobicContact CD1-CG2 4.17Å; L275-V279 HydrophobicContact CG-CG2 4.49Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.42Å; V279-H282 PolarHBondContact O-N 2.79Å; V279-L283 HydrophobicContact CG1-CD1 3.95Å; V279-L283 HydrophobicContact CG1-CG 4.48Å; V279-L283 VanDerWaalsContact O-CG 3.3Å; V279-L283 WeakPolarHBondContact O-CG 3.29Å; V279-L283 PolarHBondContact O-N 2.97Å; V279-V376 HydrophobicContact CB-CG1 3.81Å; V279-V376 HydrophobicContact CG1-CG1 3.71Å; V279-V376 HydrophobicContact CG1-CG2 4.01Å
280S94.7Very high91.5Very high0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-62.8-48178.7-172.70000112.1A276 L283 Q284 H369 S374A276-S280 WeakPolarHBondContact O-CB 3.46Å; A276-S280 PolarHBondContact O-N 2.95Å; S280-L283 PolarHBondContact O-N 2.8Å; S280-Q284 WeakPolarHBondContact O-CB 3.26Å; S280-Q284 VanDerWaalsContact O-CG 3.27Å; S280-Q284 WeakPolarHBondContact O-CG 2.86Å; S280-Q284 PolarHBondContact O-N 2.82Å; S280-Q284 PolarHBondContact OG-NE2 3.07Å; S280-H369 WeakPolarHBondContact CB-NE2 3.33Å; S280-H369 PolarHBondContact OG-NE2 3.36Å; S280-S374 WeakPolarHBondContact OG-CB 3.39Å; S280-S374 PolarHBondContact OG-OG 3.45Å
281A94.6Very high92Very high0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-64.7-41.5177.900000112R277 C278 L283 Q284 C285 C319 V328 H369R277-A281 WeakPolarHBondContact O-CB 3.37Å; R277-A281 PolarHBondContact O-N 3.24Å; C278-A281 PolarHBondContact O-N 3.41Å; A281-L283 PolarHBondContact O-N 2.73Å; A281-Q284 PolarHBondContact O-N 3Å; A281-C285 VanDerWaalsContact O-CB 3.28Å; A281-C285 WeakPolarHBondContact O-CB 3.37Å; A281-C285 PolarHBondContact O-N 3.3Å; A281-C285 PolarHBondContact O-SG 3.03Å; A281-C319 HydrophobicContact CB-CB 3.81Å; A281-V328 HydrophobicContact CB-CG1 3.53Å; A281-H369 HydrophobicContact CB-CB 4.39Å; A281-H369 PolarHBondContact N-NE2 2.89Å
282H94.5Very high92.2Very high69 Ų6934.7 Ų34.732%0.31919%0.185SC..Hα-helixtrans-56.6-49.4176.6-179.276.6000111.4C278 V279 C285 C287 T289C278-H282 WeakPolarHBondContact O-CB 3.48Å; C278-H282 PolarHBondContact O-N 3.35Å; V279-H282 PolarHBondContact O-N 2.79Å; H282-C285 PolarHBondContact O-N 2.71Å; H282-C287 VanDerWaalsContact CE1-CB 3.49Å; H282-C287 WeakPolarHBondContact CE1-CB 3.44Å; H282-C287 PolarHBondContact NE2-SG 3.21Å; H282-C287 VanDerWaalsContact NE2-SG 3.42Å; H282-C287 WeakPolarHBondContact O-CA 3.44Å; H282-C287 PolarHBondContact O-N 3.43Å; H282-T289 PolarHBondContact ND1-OG1 3.47Å
283L95.2Very high91.9Very high15 Ų1533 Ų338%0.07918%0.178CC..Hα-helixtrans-68.5-41.4179.7-66.8172.4000112.4V279 S280 A281 C285 Q286 V376 F400 L404 I447 A450V279-L283 HydrophobicContact CG1-CD1 3.95Å; V279-L283 HydrophobicContact CG1-CG 4.48Å; V279-L283 VanDerWaalsContact O-CG 3.3Å; V279-L283 WeakPolarHBondContact O-CG 3.29Å; V279-L283 PolarHBondContact O-N 2.97Å; S280-L283 PolarHBondContact O-N 2.8Å; A281-L283 PolarHBondContact O-N 2.73Å; L283-C285 PolarHBondContact O-N 3.21Å; L283-Q286 PolarHBondContact O-N 3.21Å; L283-V376 HydrophobicContact CD1-CG2 4.02Å; L283-F400 HydrophobicContact CD1-CE1 4Å; L283-F400 HydrophobicContact CD1-CZ 4.24Å; L283-L404 HydrophobicContact CD1-CD1 4.14Å; L283-L404 HydrophobicContact CD2-CD1 4.14Å; L283-I447 HydrophobicContact CB-CD1 4.08Å; L283-I447 HydrophobicContact CB-CG1 3.82Å; L283-I447 HydrophobicContact CB-CG2 4.18Å; L283-I447 HydrophobicContact CD1-CD1 4.31Å; L283-A450 WeakPolarHBondContact O-CB 3.47Å
284Q93.9Very high91.3Very high35 Ų3532.7 Ų32.716%0.16418%0.177CC..Hα-helixtrans-66.6-25.9178.2-72.3-177.741.800113.2S280 A281 H369 W446 I447S280-Q284 WeakPolarHBondContact O-CB 3.26Å; S280-Q284 VanDerWaalsContact O-CG 3.27Å; S280-Q284 WeakPolarHBondContact O-CG 2.86Å; S280-Q284 PolarHBondContact O-N 2.82Å; S280-Q284 PolarHBondContact OG-NE2 3.07Å; A281-Q284 PolarHBondContact O-N 3Å; Q284-H369 PolarHBondContact NE2-CE1 3.23Å; Q284-W446 HydrophobicContact CB-CB 4.28Å; Q284-W446 HydrophobicContact CG-CB 3.97Å; Q284-I447 HydrophobicContact CG-CD1 4.35Å; Q284-I447 HydrophobicContact CG-CG1 3.62Å
285C93.7Very high90.3Very high5 Ų535.3 Ų35.33%0.03419%0.192CC..THydrogen-bonded Turntrans-95.320.6178.4-62.80000113.1A281 H282 L283 C287 H288 P317 F318A281-C285 VanDerWaalsContact O-CB 3.28Å; A281-C285 WeakPolarHBondContact O-CB 3.37Å; A281-C285 PolarHBondContact O-N 3.3Å; A281-C285 PolarHBondContact O-SG 3.03Å; H282-C285 PolarHBondContact O-N 2.71Å; L283-C285 PolarHBondContact O-N 3.21Å; C285-C287 PolarHBondContact O-N 3.11Å; C285-C287 VanDerWaalsContact O-N 3.14Å; C285-H288 WeakPolarHBondContact O-CB 3.37Å; C285-H288 PolarHBondContact O-CD2 3.27Å; C285-H288 PolarHBondContact O-N 2.99Å; C285-P317 WeakPolarHBondContact CB-O 3.42Å; C285-F318 VanDerWaalsContact SG-C 3.59Å
286Q93.3Very high89Confident24 Ų2439 Ų3911%0.11222%0.22CC..THydrogen-bonded Turntrans51.339.7-178.1-163.7-173.266.200112.3L283 H288 W316 A450 D453 L454L283-Q286 PolarHBondContact O-N 3.21Å; Q286-H288 PolarHBondContact O-CD2 2.99Å; Q286-H288 PolarHBondContact O-N 3.03Å; Q286-H288 VanDerWaalsContact O-N 3.15Å; Q286-W316 HydrophobicContact CB-CB 4.42Å; Q286-W316 HydrophobicContact CB-CD2 3.79Å; Q286-W316 HydrophobicContact CB-CE3 3.85Å; Q286-W316 HydrophobicContact CB-CG 4.01Å; Q286-W316 HydrophobicContact CB-CZ3 4.45Å; Q286-W316 HydrophobicContact CG-CD2 4.48Å; Q286-A450 HydrophobicContact CB-CB 3.98Å; Q286-A450 PolarHBondContact NE2-O 2.87Å; Q286-D453 PolarHBondContact NE2-OD2 2.94Å; Q286-L454 HydrophobicContact CG-CB 4.04Å; Q286-L454 HydrophobicContact CG-CD1 4.24Å
287C91.5Very high87.6Confident64 Ų6448 Ų4843%0.43226%0.258SS..THydrogen-bonded Turntrans65.111-179.1-49.10000115.4H282 C285 T289H282-C287 VanDerWaalsContact CE1-CB 3.49Å; H282-C287 WeakPolarHBondContact CE1-CB 3.44Å; H282-C287 PolarHBondContact NE2-SG 3.21Å; H282-C287 VanDerWaalsContact NE2-SG 3.42Å; H282-C287 WeakPolarHBondContact O-CA 3.44Å; H282-C287 PolarHBondContact O-N 3.43Å; C285-C287 PolarHBondContact O-N 3.11Å; C285-C287 VanDerWaalsContact O-N 3.14Å; C287-T289 PolarHBondContact O-N 3Å
288H91.6Very high85.7Confident68 Ų6848.9 Ų48.932%0.31527%0.271SS..  trans-74.492.2169.3-70.9-93.4000109.6C285 Q286 S314 F318 C319C285-H288 WeakPolarHBondContact O-CB 3.37Å; C285-H288 PolarHBondContact O-CD2 3.27Å; C285-H288 PolarHBondContact O-N 2.99Å; Q286-H288 PolarHBondContact O-CD2 2.99Å; Q286-H288 PolarHBondContact O-N 3.03Å; Q286-H288 VanDerWaalsContact O-N 3.15Å; H288-S314 PolarHBondContact ND1-OG 2.82Å; H288-F318 HydrophobicContact CB-CB 3.81Å; H288-F318 CarbonylContact O-C 3.54Å; H288-F318 WeakPolarHBondContact O-CA 3.39Å; H288-F318 WeakPolarHBondContact O-CB 3.35Å; H288-C319 PolarHBondContact O-N 3.46Å
289T91.6Very high84Confident41 Ų4148.7 Ų48.725%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-129135.9-175-60.90000111.5H282 C287 V291 C319 I321H282-T289 PolarHBondContact ND1-OG1 3.47Å; C287-T289 PolarHBondContact O-N 3Å; T289-V291 HydrophobicContact CG2-CG2 3.99Å; T289-C319 WeakPolarHBondContact CA-O 3.49Å; T289-C319 PolarHBondContact OG1-SG 3.02Å; T289-I321 HydrophobicContact CG2-CD1 3.56Å; T289-I321 HydrophobicContact CG2-CG1 4.12Å
290V89.9Confident82Confident33 Ų3353.6 Ų53.620%0.230%0.295CS..EExtended strand (participates in β ladder)trans-114.3118.6170.6176.90000106.6V292 I307 C319 V320 I321V290-V292 HydrophobicContact CG1-CG1 3.93Å; V290-I307 HydrophobicContact CB-CG2 4.4Å; V290-I307 HydrophobicContact CG1-CD1 3.52Å; V290-I307 HydrophobicContact CG1-CG1 4.42Å; V290-I307 HydrophobicContact CG1-CG2 4.09Å; V290-I307 HydrophobicContact CG2-CG2 3.64Å; V290-C319 PolarHBondContact N-O 2.92Å; V290-V320 HydrophobicContact CB-CG2 4.49Å; V290-V320 CarbonylContact O-C 3.57Å; V290-V320 VanDerWaalsContact O-CA 3.3Å; V290-V320 WeakPolarHBondContact O-CA 3.38Å; V290-I321 PolarHBondContact O-N 3.07Å
291V88.3Confident79.8Confident59 Ų5963 Ų6336%0.35833%0.33SS..EExtended strand (participates in β ladder)trans-98.1131.1171.4-166.10000107.2T289 V299 I321 V323T289-V291 HydrophobicContact CG2-CG2 3.99Å; V291-V299 VanDerWaalsContact C-CG1 3.44Å; V291-V299 HydrophobicContact CB-CG1 4.3Å; V291-V299 HydrophobicContact CB-CG2 4.36Å; V291-V299 HydrophobicContact CG1-CG1 4.24Å; V291-V299 HydrophobicContact CG1-CG2 3.5Å; V291-V299 VanDerWaalsContact CG1-CG2 3.5Å; V291-V299 WeakPolarHBondContact O-CG1 3.2Å; V291-I321 CarbonylContact C-O 3.49Å; V291-I321 WeakPolarHBondContact CA-O 3.19Å; V291-I321 HydrophobicContact CG1-CB 4.36Å; V291-I321 HydrophobicContact CG1-CG2 4.32Å; V291-I321 HydrophobicContact CG2-CB 4.46Å; V291-V323 HydrophobicContact CG1-CG1 3.55Å
292V86.6Confident78Confident16 Ų1666.6 Ų66.610%0.09735%0.352CS..EExtended strand (participates in β ladder)trans-122.4145.5176.2-60.40000110.4V290 V320 I321 D322 V323V290-V292 HydrophobicContact CG1-CG1 3.93Å; V292-V320 HydrophobicContact CG1-CG1 4.42Å; V292-V320 HydrophobicContact CG2-CG1 4.14Å; V292-I321 PolarHBondContact N-O 2.87Å; V292-D322 HydrophobicContact CG2-CB 3.87Å; V292-V323 WeakPolarHBondContact O-CG2 2.91Å; V292-V323 PolarHBondContact O-N 2.87Å
293G81.9Confident76.4Confident10 Ų1068.1 Ų68.110%0.10336%0.363CS..  trans-177.5160.6179.500000112.7D324G293-D324 WeakPolarHBondContact CA-OD2 3.2Å
294N77.1Confident75.1Confident106 Ų10670.8 Ų70.857%0.56738%0.376SS*.SBendtrans-87.6-20.9-174.2-77.5-51.6000113R301 D324N294-R301 PolarHBondContact O-NE 2.93Å; N294-R301 PolarHBondContact O-NH2 3.04Å; N294-D324 WeakPolarHBondContact CB-OD2 3.49Å; N294-D324 PolarHBondContact N-OD2 3.23Å; N294-D324 PolarHBondContact ND2-OD2 3.14Å
295N71.2Confident73.8Confident83 Ų8374 Ų7444%0.44440%0.395SS..SBendtrans-97.8124.6-179.9-173.7-9000110.3K297 P298 V299N295-K297 PolarHBondContact O-N 3.23Å; N295-K297 PolarHBondContact OD1-N 3.16Å; N295-K297 VanDerWaalsContact OD1-N 3.13Å; N295-P298 HydrophobicContact CB-CG 3.8Å; N295-P298 VanDerWaalsContact CG-CD 3.49Å; N295-P298 WeakPolarHBondContact O-CD 3.36Å; N295-P298 VanDerWaalsContact O-CG 3.31Å; N295-P298 WeakPolarHBondContact O-CG 3.43Å; N295-V299 CarbonylContact C-O 3.54Å; N295-V299 PolarHBondContact O-N 3.05Å
296S65.2Low72.5Confident94 Ų9476.2 Ų76.266%0.65741%0.41SS*.THydrogen-bonded Turntrans-65.7-18.3-178.962.40000113.9V299S296-V299 VanDerWaalsContact CA-O 3.31Å; S296-V299 WeakPolarHBondContact CA-O 3.4Å
297K63.9Low71.4Confident192 Ų19276.3 Ų76.384%0.83541%0.411SS*.THydrogen-bonded Turntrans-68.4-50.9176.3-72.5-171.8177.8-174.60112N295N295-K297 PolarHBondContact O-N 3.23Å; N295-K297 PolarHBondContact OD1-N 3.16Å; N295-K297 VanDerWaalsContact OD1-N 3.13Å
298P54.3Low70.7Confident76 Ų7675 Ų7549%0.49440%0.399SS..THydrogen-bonded Turntrans-81-31.9173.429.6-36.5000113.3N295 V323N295-P298 HydrophobicContact CB-CG 3.8Å; N295-P298 VanDerWaalsContact CG-CD 3.49Å; N295-P298 WeakPolarHBondContact O-CD 3.36Å; N295-P298 VanDerWaalsContact O-CG 3.31Å; N295-P298 WeakPolarHBondContact O-CG 3.43Å; P298-V323 HydrophobicContact CB-CG2 4.39Å; P298-V323 HydrophobicContact CG-CG2 4.36Å
299V58.3Low69.9Low11 Ų1176.6 Ų76.67%0.06741%0.405CS..  trans-155.4138.5-168.9-166.60000114.2V291 N295 S296 V323V291-V299 VanDerWaalsContact C-CG1 3.44Å; V291-V299 HydrophobicContact CB-CG1 4.3Å; V291-V299 HydrophobicContact CB-CG2 4.36Å; V291-V299 HydrophobicContact CG1-CG1 4.24Å; V291-V299 HydrophobicContact CG1-CG2 3.5Å; V291-V299 VanDerWaalsContact CG1-CG2 3.5Å; V291-V299 WeakPolarHBondContact O-CG1 3.2Å; N295-V299 CarbonylContact C-O 3.54Å; N295-V299 PolarHBondContact O-N 3.05Å; S296-V299 VanDerWaalsContact CA-O 3.31Å; S296-V299 WeakPolarHBondContact CA-O 3.4Å; V299-V323 HydrophobicContact CG2-CB 4.39Å; V299-V323 HydrophobicContact CG2-CG1 3.88Å; V299-V323 HydrophobicContact CG2-CG2 3.57Å
300N50.9Low69.2Low124 Ų12477.4 Ų77.466%0.66341%0.406SS*.  trans-71.5133.7167.5-77.1-35.8000110.5V302N300-V302 WeakPolarHBondContact O-CG2 3.41Å; N300-V302 PolarHBondContact O-N 3.3Å
301R49.2Very low68.9Low197 Ų19776.3 Ų76.374%0.74340%0.401SS*.  trans-63.5109174-66.4-178.6-178.3-175.3-2.3109.6N294N294-R301 PolarHBondContact O-NE 2.93Å; N294-R301 PolarHBondContact O-NH2 3.04Å
302V56.1Low68.8Low76 Ų7673.9 Ų73.946%0.46139%0.386SS..  trans-117.4135.7174-167.30000109.3N300 I304 I307N300-V302 WeakPolarHBondContact O-CG2 3.41Å; N300-V302 PolarHBondContact O-N 3.3Å; V302-I304 PolarHBondContact O-N 3.48Å; V302-I307 HydrophobicContact CB-CD1 3.65Å; V302-I307 HydrophobicContact CB-CG1 4.44Å; V302-I307 HydrophobicContact CG1-CD1 3.29Å; V302-I307 HydrophobicContact CG1-CG1 3.55Å
303N61.4Low68.7Low102 Ų10275.1 Ų75.155%0.54539%0.389SS..  trans-70114.1173-175.6-24.7000109.9D305 S306 I307N303-D305 PolarHBondContact O-N 3.38Å; N303-D305 WeakPolarHBondContact OD1-CB 3.27Å; N303-D305 PolarHBondContact OD1-N 3.14Å; N303-S306 WeakPolarHBondContact O-CB 3.38Å; N303-S306 PolarHBondContact O-N 3.18Å; N303-S306 VanDerWaalsContact O-N 3.12Å; N303-I307 PolarHBondContact O-N 3.05Å
304I66.6Low69Low70 Ų7075.7 Ų75.736%0.35939%0.391SS..Hα-helixtrans-56.7-34.6-178.3-160.4164.8000112.3V302 S306 I307 M308 V320V302-I304 PolarHBondContact O-N 3.48Å; I304-S306 VanDerWaalsContact C-N 3.29Å; I304-S306 PolarHBondContact O-N 3.07Å; I304-I307 WeakPolarHBondContact O-CB 3.31Å; I304-I307 PolarHBondContact O-N 2.99Å; I304-M308 HydrophobicContact CG1-CG 4.12Å; I304-M308 WeakPolarHBondContact O-CB 3.12Å; I304-M308 WeakPolarHBondContact O-CG 3.45Å; I304-M308 PolarHBondContact O-N 3.34Å; I304-V320 HydrophobicContact CD1-CG1 4.23Å
305D66.7Low69.5Low103 Ų10374.3 Ų74.355%0.55138%0.378SS*.Hα-helixtrans-64.4-34.9-179.6-73-25.3000112.5N303 K309N303-D305 PolarHBondContact O-N 3.38Å; N303-D305 WeakPolarHBondContact OD1-CB 3.27Å; N303-D305 PolarHBondContact OD1-N 3.14Å; D305-K309 WeakPolarHBondContact O-CG 3.42Å; D305-K309 PolarHBondContact O-N 3.27Å
306S65.9Low70.5Confident51 Ų5170.6 Ų70.636%0.35736%0.358SS..Hα-helixtrans-69.8-42.3176.3-172.70000110.8N303 I304 K309 Q310N303-S306 WeakPolarHBondContact O-CB 3.38Å; N303-S306 PolarHBondContact O-N 3.18Å; N303-S306 VanDerWaalsContact O-N 3.12Å; I304-S306 VanDerWaalsContact C-N 3.29Å; I304-S306 PolarHBondContact O-N 3.07Å; S306-K309 PolarHBondContact O-N 2.98Å; S306-Q310 PolarHBondContact O-N 2.84Å
307I71.8Confident71.8Confident27 Ų2766.5 Ų66.514%0.13833%0.329CS..Hα-helixtrans-60.8-48.4176.5-65.3160.1000109.9V290 V302 N303 I304 K309 Q310 A311V290-I307 HydrophobicContact CB-CG2 4.4Å; V290-I307 HydrophobicContact CG1-CD1 3.52Å; V290-I307 HydrophobicContact CG1-CG1 4.42Å; V290-I307 HydrophobicContact CG1-CG2 4.09Å; V290-I307 HydrophobicContact CG2-CG2 3.64Å; V302-I307 HydrophobicContact CB-CD1 3.65Å; V302-I307 HydrophobicContact CB-CG1 4.44Å; V302-I307 HydrophobicContact CG1-CD1 3.29Å; V302-I307 HydrophobicContact CG1-CG1 3.55Å; N303-I307 PolarHBondContact O-N 3.05Å; I304-I307 WeakPolarHBondContact O-CB 3.31Å; I304-I307 PolarHBondContact O-N 2.99Å; I307-K309 VanDerWaalsContact C-N 3.28Å; I307-K309 PolarHBondContact O-N 3.38Å; I307-Q310 CarbonylContact O-C 3.53Å; I307-Q310 PolarHBondContact O-N 3.38Å; I307-A311 VanDerWaalsContact O-CB 3.29Å; I307-A311 WeakPolarHBondContact O-CB 3.33Å; I307-A311 PolarHBondContact O-N 2.7Å
308M75.8Confident73.3Confident35 Ų3557.7 Ų57.717%0.17229%0.291CS..Hα-helixtrans-62.4-33.6-175.3-68.3-63.5-89.400112.7I304 F318 I364 L366I304-M308 HydrophobicContact CG1-CG 4.12Å; I304-M308 WeakPolarHBondContact O-CB 3.12Å; I304-M308 WeakPolarHBondContact O-CG 3.45Å; I304-M308 PolarHBondContact O-N 3.34Å; M308-F318 HydrophobicContact CE-CZ 4.35Å; M308-F318 HydrophobicContact SD-CE2 3.84Å; M308-F318 HydrophobicContact SD-CZ 3.61Å; M308-I364 HydrophobicContact CE-CB 3.91Å; M308-I364 HydrophobicContact CE-CG2 4.28Å; M308-L366 HydrophobicContact CE-CD1 3.73Å; M308-L366 HydrophobicContact CE-CD2 3.95Å; M308-L366 HydrophobicContact CE-CG 3.66Å; M308-L366 HydrophobicContact SD-CD1 4.3Å
309K74.3Confident75.1Confident103 Ų10354.1 Ų54.145%0.44827%0.267SS..Hα-helixtrans-66.9-40.6174.1-71.5175.4-171.6170.80112.3D305 S306 I307D305-K309 WeakPolarHBondContact O-CG 3.42Å; D305-K309 PolarHBondContact O-N 3.27Å; S306-K309 PolarHBondContact O-N 2.98Å; I307-K309 VanDerWaalsContact C-N 3.28Å; I307-K309 PolarHBondContact O-N 3.38Å
310Q77.7Confident76.8Confident57 Ų5753.8 Ų53.827%0.26627%0.265SS..Hα-helixtrans-77-30.9179-63.8-64.7-8.500112.1S306 I307 L312 Y313S306-Q310 PolarHBondContact O-N 2.84Å; I307-Q310 CarbonylContact O-C 3.53Å; I307-Q310 PolarHBondContact O-N 3.38Å; Q310-L312 PolarHBondContact O-N 3.33Å; Q310-L312 VanDerWaalsContact O-N 3.15Å; Q310-Y313 PolarHBondContact O-N 3.45Å
311A83.8Confident78.7Confident11 Ų1148.5 Ų48.59%0.09124%0.237CC..Hα-helixtrans-63.6-21.8179.700000113I307 Y313 S314 F318 H337 I364I307-A311 VanDerWaalsContact O-CB 3.29Å; I307-A311 WeakPolarHBondContact O-CB 3.33Å; I307-A311 PolarHBondContact O-N 2.7Å; A311-Y313 PolarHBondContact O-N 3.28Å; A311-S314 VanDerWaalsContact O-CB 3.24Å; A311-S314 WeakPolarHBondContact O-CB 3.27Å; A311-S314 PolarHBondContact O-N 2.89Å; A311-S314 VanDerWaalsContact O-N 3.13Å; A311-F318 HydrophobicContact CB-CD1 3.81Å; A311-F318 HydrophobicContact CB-CD2 4.46Å; A311-F318 HydrophobicContact CB-CE1 3.39Å; A311-F318 HydrophobicContact CB-CE2 4.08Å; A311-F318 HydrophobicContact CB-CG 4.34Å; A311-F318 HydrophobicContact CB-CZ 3.53Å; A311-H337 PolarHBondContact O-CE1 2.84Å; A311-I364 HydrophobicContact CB-CD1 4.15Å
312L85.1Confident80.7Confident8 Ų840.9 Ų40.94%0.04221%0.211CC..THydrogen-bonded Turntrans-64-21.8171.9-73.4161.1000113.2Q310 L340 R341 M344 I364Q310-L312 PolarHBondContact O-N 3.33Å; Q310-L312 VanDerWaalsContact O-N 3.15Å; L312-L340 HydrophobicContact CD2-CD1 4.41Å; L312-L340 HydrophobicContact CD2-CD2 3.44Å; L312-L340 VanDerWaalsContact CD2-CD2 3.44Å; L312-L340 HydrophobicContact CD2-CG 3.59Å; L312-R341 WeakPolarHBondContact O-CA 3.39Å; L312-R341 WeakPolarHBondContact O-CB 3.45Å; L312-R341 WeakPolarHBondContact O-CG 3.3Å; L312-M344 HydrophobicContact CB-CB 4.43Å; L312-M344 HydrophobicContact CB-CE 3.92Å; L312-M344 HydrophobicContact CB-CG 4.19Å; L312-M344 HydrophobicContact CD1-CE 3.19Å; L312-M344 HydrophobicContact CD2-CE 4.44Å; L312-M344 HydrophobicContact CG-CE 4Å; L312-I364 HydrophobicContact CD1-CG1 4.48Å; L312-I364 HydrophobicContact CD2-CD1 3.58Å; L312-I364 HydrophobicContact CD2-CG1 3.33Å; L312-I364 HydrophobicContact CG-CD1 3.67Å; L312-I364 HydrophobicContact CG-CG1 3.77Å
313Y85.6Confident82.2Confident42 Ų4238.8 Ų38.817%0.16520%0.198CC..THydrogen-bonded Turntrans-90.5-11.3175.5-60.1-87.3000112.8Q310 A311 R315 R341 M344 L345 D348Q310-Y313 PolarHBondContact O-N 3.45Å; A311-Y313 PolarHBondContact O-N 3.28Å; Y313-R315 PolarHBondContact O-N 3.12Å; Y313-R341 PolarHBondContact O-NE 2.64Å; Y313-M344 HydrophobicContact CE1-CG 3.91Å; Y313-M344 HydrophobicContact CE2-CG 4.28Å; Y313-L345 HydrophobicContact CD1-CD2 3.84Å; Y313-L345 HydrophobicContact CE1-CD2 4.1Å; Y313-D348 WeakPolarHBondContact CE1-OD2 3.45Å; Y313-D348 VanDerWaalsContact OH-CG 3.32Å; Y313-D348 PolarHBondContact OH-OD2 2.87Å
314S88.1Confident83.4Confident21 Ų2136.8 Ų36.815%0.14719%0.188CC..  trans-60.3131.1178.5-176.30000110.5H288 A311 W316 H337 R341H288-S314 PolarHBondContact ND1-OG 2.82Å; A311-S314 VanDerWaalsContact O-CB 3.24Å; A311-S314 WeakPolarHBondContact O-CB 3.27Å; A311-S314 PolarHBondContact O-N 2.89Å; A311-S314 VanDerWaalsContact O-N 3.13Å; S314-W316 WeakPolarHBondContact CB-O 3.43Å; S314-W316 PolarHBondContact O-N 3.4Å; S314-W316 PolarHBondContact OG-N 3.35Å; S314-W316 PolarHBondContact OG-O 3.34Å; S314-H337 PolarHBondContact O-CD2 3.43Å; S314-H337 PolarHBondContact O-NE2 3.2Å; S314-R341 WeakPolarHBondContact O-CD 3.46Å
315R87.7Confident84.5Confident78 Ų7840 Ų4029%0.29420%0.201SC..SBendtrans-63.8-28.2177.2-46.1-166.384.8130.97.1112E211 Y313 R341E211-R315 IonicContact OE1-NH1 3.45Å; E211-R315 IonicContact OE2-CZ 3.55Å; E211-R315 VanDerWaalsContact OE2-CZ 3.22Å; E211-R315 IonicContact OE2-NH1 2.75Å; E211-R315 PolarHBondContact OE2-NH1 3.2Å; E211-R315 IonicContact OE2-NH2 2.86Å; E211-R315 PolarHBondContact OE2-NH2 3.18Å; Y313-R315 PolarHBondContact O-N 3.12Å; R315-R341 VanDerWaalsContact CG-NH1 3.3Å
316W91.8Very high85.7Confident5 Ų540.2 Ų40.22%0.01920%0.199CC..SBendtrans-115.9151.8-177-91.882000112Q286 S314 W334 H337 I449 A450 D453 A460Q286-W316 HydrophobicContact CB-CB 4.42Å; Q286-W316 HydrophobicContact CB-CD2 3.79Å; Q286-W316 HydrophobicContact CB-CE3 3.85Å; Q286-W316 HydrophobicContact CB-CG 4.01Å; Q286-W316 HydrophobicContact CB-CZ3 4.45Å; Q286-W316 HydrophobicContact CG-CD2 4.48Å; S314-W316 WeakPolarHBondContact CB-O 3.43Å; S314-W316 PolarHBondContact O-N 3.4Å; S314-W316 PolarHBondContact OG-N 3.35Å; S314-W316 PolarHBondContact OG-O 3.34Å; W316-W334 AromaticContact CD2-CD1 3.69Å; W316-W334 AromaticContact CE2-CD1 3.65Å; W316-W334 AromaticContact CE2-NE1 3.7Å; W316-W334 AromaticContact CE3-CD1 3.81Å; W316-W334 AromaticContact CH2-CD1 3.81Å; W316-W334 AromaticContact CZ2-CD1 3.71Å; W316-W334 AromaticContact CZ2-NE1 3.87Å; W316-W334 AromaticContact CZ3-CD1 3.86Å; W316-W334 AromaticContact NE1-NE1 3.95Å; W316-H337 PolarHBondContact O-NE2 2.82Å; W316-H337 VanDerWaalsContact O-NE2 3.08Å; W316-I449 HydrophobicContact CH2-CG2 3.99Å; W316-A450 VanDerWaalsContact CH2-CA 3.42Å; W316-A450 HydrophobicContact CH2-CB 3.92Å; W316-A450 HydrophobicContact CZ3-CB 3.79Å; W316-D453 HydrophobicContact CZ2-CB 3.53Å; W316-D453 PolarHBondContact NE1-OD2 2.79Å; W316-A460 HydrophobicContact CH2-CB 4.08Å; W316-A460 HydrophobicContact CZ2-CB 3.53Å
317P93.2Very high87Confident8 Ų839.7 Ų39.75%0.05219%0.193CC..  trans-47.2152.2161-26.334.1000111.5C285 S331 L332 W334 H337C285-P317 WeakPolarHBondContact CB-O 3.42Å; P317-S331 WeakPolarHBondContact CA-OG 3.48Å; P317-S331 WeakPolarHBondContact CB-OG 3.47Å; P317-L332 WeakPolarHBondContact CB-O 3.22Å; P317-L332 VanDerWaalsContact CG-O 3.31Å; P317-L332 WeakPolarHBondContact CG-O 3.45Å; P317-W334 HydrophobicContact CG-CB 4.17Å; P317-H337 HydrophobicContact CG-CB 3.92Å
318F93.8Very high88Confident7 Ų738.4 Ų38.43%0.03119%0.187CC..  trans-130159.8179.466-79.1000109.9C285 H288 M308 A311 V320 H330 S331 I364 L366C285-F318 VanDerWaalsContact SG-C 3.59Å; H288-F318 HydrophobicContact CB-CB 3.81Å; H288-F318 CarbonylContact O-C 3.54Å; H288-F318 WeakPolarHBondContact O-CA 3.39Å; H288-F318 WeakPolarHBondContact O-CB 3.35Å; M308-F318 HydrophobicContact CE-CZ 4.35Å; M308-F318 HydrophobicContact SD-CE2 3.84Å; M308-F318 HydrophobicContact SD-CZ 3.61Å; A311-F318 HydrophobicContact CB-CD1 3.81Å; A311-F318 HydrophobicContact CB-CD2 4.46Å; A311-F318 HydrophobicContact CB-CE1 3.39Å; A311-F318 HydrophobicContact CB-CE2 4.08Å; A311-F318 HydrophobicContact CB-CG 4.34Å; A311-F318 HydrophobicContact CB-CZ 3.53Å; F318-V320 HydrophobicContact CD2-CG2 4.02Å; F318-V320 HydrophobicContact CE2-CG2 3.69Å; F318-H330 CarbonylContact O-C 3.43Å; F318-H330 WeakPolarHBondContact O-CA 3.33Å; F318-S331 VanDerWaalsContact CE1-CB 3.45Å; F318-S331 PolarHBondContact N-OG 3.32Å; F318-S331 PolarHBondContact O-N 2.81Å; F318-I364 HydrophobicContact CE1-CD1 3.59Å; F318-I364 HydrophobicContact CE1-CG2 4.1Å; F318-I364 HydrophobicContact CZ-CD1 3.99Å; F318-I364 HydrophobicContact CZ-CG2 4.13Å; F318-L366 HydrophobicContact CE2-CD2 4.22Å; F318-L366 HydrophobicContact CZ-CD2 4.16Å
319C94Very high88.8Confident0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-113.2149.4169.964.80000112.2A281 H288 T289 V290 F329 H330A281-C319 HydrophobicContact CB-CB 3.81Å; H288-C319 PolarHBondContact O-N 3.46Å; T289-C319 WeakPolarHBondContact CA-O 3.49Å; T289-C319 PolarHBondContact OG1-SG 3.02Å; V290-C319 PolarHBondContact N-O 2.92Å; C319-F329 CarbonylContact C-O 3.56Å; C319-F329 WeakPolarHBondContact CA-O 3.27Å; C319-F329 WeakPolarHBondContact CB-O 3.46Å; C319-H330 HydrophobicContact CB-CB 4.37Å
320V92.4Very high89.6Confident4 Ų437.2 Ų37.22%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-113.6119.4172.1-175.50000107.2V290 V292 I304 F318 F329 L366V290-V320 HydrophobicContact CB-CG2 4.49Å; V290-V320 CarbonylContact O-C 3.57Å; V290-V320 VanDerWaalsContact O-CA 3.3Å; V290-V320 WeakPolarHBondContact O-CA 3.38Å; V292-V320 HydrophobicContact CG1-CG1 4.42Å; V292-V320 HydrophobicContact CG2-CG1 4.14Å; I304-V320 HydrophobicContact CD1-CG1 4.23Å; F318-V320 HydrophobicContact CD2-CG2 4.02Å; F318-V320 HydrophobicContact CE2-CG2 3.69Å; V320-F329 PolarHBondContact N-O 3.32Å; V320-F329 PolarHBondContact O-N 2.85Å; V320-L366 HydrophobicContact CG2-CD1 4.25Å
321I91.8Very high90.3Very high13 Ų1334.5 Ų34.57%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-105.8112.7176.4-62.2172000106.8F274 C278 T289 V290 V291 V292 V323 V328F274-I321 HydrophobicContact CE2-CG2 4.08Å; F274-I321 HydrophobicContact CZ-CG2 3.65Å; C278-I321 HydrophobicContact CB-CD1 3.81Å; C278-I321 VanDerWaalsContact SG-CG2 3.53Å; T289-I321 HydrophobicContact CG2-CD1 3.56Å; T289-I321 HydrophobicContact CG2-CG1 4.12Å; V290-I321 PolarHBondContact O-N 3.07Å; V291-I321 CarbonylContact C-O 3.49Å; V291-I321 WeakPolarHBondContact CA-O 3.19Å; V291-I321 HydrophobicContact CG1-CB 4.36Å; V291-I321 HydrophobicContact CG1-CG2 4.32Å; V291-I321 HydrophobicContact CG2-CB 4.46Å; V292-I321 PolarHBondContact N-O 2.87Å; I321-V323 HydrophobicContact CG2-CG1 4.25Å; I321-V328 HydrophobicContact CG1-CG1 4.22Å; I321-V328 HydrophobicContact CG1-CG2 4.37Å
322D90.7Very high90.4Very high38 Ų3834.9 Ų34.920%0.20317%0.169CC..EExtended strand (participates in β ladder)trans-94.3110.1170.8-166.4-38.9000108.6V292 D324 E325 H326 T327V292-D322 HydrophobicContact CG2-CB 3.87Å; D322-D324 VanDerWaalsContact C-N 3.34Å; D322-D324 PolarHBondContact OD1-N 2.84Å; D322-E325 HydrophobicContact CB-CB 4.25Å; D322-E325 PolarHBondContact OD1-N 2.88Å; D322-H326 WeakPolarHBondContact O-CA 3.15Å; D322-H326 PolarHBondContact O-N 3.17Å; D322-T327 WeakPolarHBondContact CB-OG1 3.25Å; D322-T327 PolarHBondContact N-O 2.74Å; D322-T327 PolarHBondContact O-N 2.9Å; D322-T327 VanDerWaalsContact O-N 3.1Å
323V88.4Confident90.6Very high31 Ų3137.4 Ų37.419%0.18819%0.186CC..THydrogen-bonded Turntrans-77.5-22.6-177.8-560000112.6V291 V292 P298 V299 I321V291-V323 HydrophobicContact CG1-CG1 3.55Å; V292-V323 WeakPolarHBondContact O-CG2 2.91Å; V292-V323 PolarHBondContact O-N 2.87Å; P298-V323 HydrophobicContact CB-CG2 4.39Å; P298-V323 HydrophobicContact CG-CG2 4.36Å; V299-V323 HydrophobicContact CG2-CB 4.39Å; V299-V323 HydrophobicContact CG2-CG1 3.88Å; V299-V323 HydrophobicContact CG2-CG2 3.57Å; I321-V323 HydrophobicContact CG2-CG1 4.25Å
324D86.6Confident90.8Very high61 Ų6136 Ų3633%0.32618%0.18SC..THydrogen-bonded Turntrans-81.8-43.5-179.3-61.2-34.3000110.1G293 N294 D322 H326G293-D324 WeakPolarHBondContact CA-OD2 3.2Å; N294-D324 WeakPolarHBondContact CB-OD2 3.49Å; N294-D324 PolarHBondContact N-OD2 3.23Å; N294-D324 PolarHBondContact ND2-OD2 3.14Å; D322-D324 VanDerWaalsContact C-N 3.34Å; D322-D324 PolarHBondContact OD1-N 2.84Å; D324-H326 VanDerWaalsContact C-N 3.31Å
325E89.5Confident90.9Very high138 Ų13840.7 Ų40.765%0.64520%0.195SC*.THydrogen-bonded Turntrans-84.8-5.4178.1-63.3-65154.600112.8D322 T327D322-E325 HydrophobicContact CB-CB 4.25Å; D322-E325 PolarHBondContact OD1-N 2.88Å; E325-T327 HydrophobicContact CB-CG2 4.07Å; E325-T327 WeakPolarHBondContact O-CG2 3.42Å; E325-T327 PolarHBondContact O-N 3.36Å
326H91.1Very high91Very high107 Ų10743.2 Ų43.250%0.49521%0.208SC..THydrogen-bonded Turntrans51.440-173.3-70-85.9000113.2F274 R277 D322 D324F274-H326 AromaticContact CD1-ND1 3.47Å; F274-H326 WeakPolarHBondContact CD1-ND1 3.31Å; F274-H326 VanDerWaalsContact CD2-C 3.45Å; F274-H326 HydrophobicContact CD2-CB 4.01Å; F274-H326 VanDerWaalsContact CD2-O 3.31Å; F274-H326 WeakPolarHBondContact CD2-O 3.31Å; F274-H326 AromaticContact CE1-ND1 3.74Å; F274-H326 HydrophobicContact CE2-CB 4.28Å; F274-H326 HydrophobicContact CG-CB 4.23Å; F274-H326 AromaticContact CG-ND1 3.74Å; R277-H326 PolarHBondContact NH1-O 3.45Å; R277-H326 PolarHBondContact NH2-O 2.92Å; D322-H326 WeakPolarHBondContact O-CA 3.15Å; D322-H326 PolarHBondContact O-N 3.17Å; D324-H326 VanDerWaalsContact C-N 3.31Å
327T93.1Very high91Very high39 Ų3943.1 Ų43.124%0.23921%0.208CC..EExtended strand (participates in β ladder)trans-111.2146.8179.861.60000111.6D322 E325 F329D322-T327 WeakPolarHBondContact CB-OG1 3.25Å; D322-T327 PolarHBondContact N-O 2.74Å; D322-T327 PolarHBondContact O-N 2.9Å; D322-T327 VanDerWaalsContact O-N 3.1Å; E325-T327 HydrophobicContact CB-CG2 4.07Å; E325-T327 WeakPolarHBondContact O-CG2 3.42Å; E325-T327 PolarHBondContact O-N 3.36Å; T327-F329 HydrophobicContact CG2-CE2 4.37Å; T327-F329 VanDerWaalsContact OG1-CE2 3.26Å; T327-F329 WeakPolarHBondContact OG1-CE2 3.46Å
328V93.8Very high90.9Very high1 Ų143.4 Ų43.41%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-129.2119.5176.1-176.60000107.1F274 R277 C278 A281 I321 H369F274-V328 HydrophobicContact CD2-CG2 3.93Å; F274-V328 HydrophobicContact CE2-CG2 3.71Å; R277-V328 HydrophobicContact CB-CB 4.03Å; R277-V328 HydrophobicContact CB-CG1 4.49Å; R277-V328 HydrophobicContact CB-CG2 3.75Å; C278-V328 VanDerWaalsContact SG-CG2 3.57Å; A281-V328 HydrophobicContact CB-CG1 3.53Å; I321-V328 HydrophobicContact CG1-CG1 4.22Å; I321-V328 HydrophobicContact CG1-CG2 4.37Å; V328-H369 HydrophobicContact CB-CB 4.18Å; V328-H369 HydrophobicContact CG1-CB 3.87Å; V328-H369 PolarHBondContact O-N 3.48Å
329F93.2Very high90.7Very high67 Ų6745.8 Ų45.829%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-114.8148175.1-62.6-81.9000110C319 V320 T327 L366 K367 A368C319-F329 CarbonylContact C-O 3.56Å; C319-F329 WeakPolarHBondContact CA-O 3.27Å; C319-F329 WeakPolarHBondContact CB-O 3.46Å; V320-F329 PolarHBondContact N-O 3.32Å; V320-F329 PolarHBondContact O-N 2.85Å; T327-F329 HydrophobicContact CG2-CE2 4.37Å; T327-F329 VanDerWaalsContact OG1-CE2 3.26Å; T327-F329 WeakPolarHBondContact OG1-CE2 3.46Å; F329-L366 HydrophobicContact CB-CB 4.02Å; F329-L366 HydrophobicContact CB-CD1 4.33Å; F329-L366 HydrophobicContact CD1-CB 4.36Å; F329-L366 HydrophobicContact CG-CB 4.37Å; F329-K367 CarbonylContact C-O 3.55Å; F329-K367 VanDerWaalsContact CA-O 3.23Å; F329-K367 WeakPolarHBondContact CA-O 3.05Å; F329-A368 HydrophobicContact CD1-CB 4.37Å; F329-A368 HydrophobicContact CE1-CB 4.22Å
330H90.9Very high90.5Very high45 Ų4547 Ų4721%0.20824%0.236CC..EExtended strand (participates in β ladder)trans-121.9153.6168.369.790.6000110F318 C319 K367 H369F318-H330 CarbonylContact O-C 3.43Å; F318-H330 WeakPolarHBondContact O-CA 3.33Å; C319-H330 HydrophobicContact CB-CB 4.37Å; H330-K367 PolarHBondContact CD2-O 3.44Å; H330-K367 PolarHBondContact N-O 2.82Å; H330-K367 PolarHBondContact O-N 3.36Å; H330-H369 AromaticContact CD2-ND1 3.61Å
331S90.8Very high90.4Very high0 Ų047.7 Ų47.70%024%0.238CC..  trans-74.2-175.8173.7770000111.3P317 F318 H337P317-S331 WeakPolarHBondContact CA-OG 3.48Å; P317-S331 WeakPolarHBondContact CB-OG 3.47Å; F318-S331 VanDerWaalsContact CE1-CB 3.45Å; F318-S331 PolarHBondContact N-OG 3.32Å; F318-S331 PolarHBondContact O-N 2.81Å; S331-H337 PolarHBondContact OG-ND1 3.38Å
332L87.4Confident90.3Very high19 Ų1951.2 Ų51.210%0.09925%0.253CS..SBendtrans-55.6150-179.5-62171000112.2P317 K336 H337 L340 E365P317-L332 WeakPolarHBondContact CB-O 3.22Å; P317-L332 VanDerWaalsContact CG-O 3.31Å; P317-L332 WeakPolarHBondContact CG-O 3.45Å; L332-K336 HydrophobicContact CB-CB 3.84Å; L332-K336 HydrophobicContact CD1-CB 4.19Å; L332-K336 HydrophobicContact CG-CB 4.49Å; L332-H337 HydrophobicContact CB-CB 4.43Å; L332-L340 HydrophobicContact CD1-CD2 4.09Å; L332-E365 HydrophobicContact CD2-CB 4.13Å
333P87.8Confident90.2Very high62 Ų6253.4 Ų53.440%0.40326%0.262SS..  trans-52.9150.6171.5-25.133.5000112R335 K336 H337P333-R335 VanDerWaalsContact C-N 3.3Å; P333-R335 PolarHBondContact O-N 3.17Å; P333-K336 PolarHBondContact O-N 2.95Å; P333-H337 PolarHBondContact O-N 2.98Å
334W91.2Very high90.2Very high12 Ų1252.5 Ų52.55%0.04526%0.256CS..Hα-helixtrans-41.3-50.2-171-176.492.9000114.4W316 P317 K336 H337 D338 W446 A460 E461 L464 K465W316-W334 AromaticContact CD2-CD1 3.69Å; W316-W334 AromaticContact CE2-CD1 3.65Å; W316-W334 AromaticContact CE2-NE1 3.7Å; W316-W334 AromaticContact CE3-CD1 3.81Å; W316-W334 AromaticContact CH2-CD1 3.81Å; W316-W334 AromaticContact CZ2-CD1 3.71Å; W316-W334 AromaticContact CZ2-NE1 3.87Å; W316-W334 AromaticContact CZ3-CD1 3.86Å; W316-W334 AromaticContact NE1-NE1 3.95Å; P317-W334 HydrophobicContact CG-CB 4.17Å; W334-K336 PolarHBondContact O-N 3.49Å; W334-H337 PolarHBondContact O-N 2.89Å; W334-D338 HydrophobicContact CH2-CB 4.14Å; W334-D338 HydrophobicContact CZ2-CB 4.2Å; W334-D338 HydrophobicContact CZ3-CB 4.44Å; W334-D338 WeakPolarHBondContact O-CB 3.21Å; W334-D338 PolarHBondContact O-N 2.8Å; W334-W446 HydrophobicContact CB-CZ3 4.06Å; W334-A460 HydrophobicContact CD2-CB 4.25Å; W334-A460 HydrophobicContact CZ2-CB 4.25Å; W334-E461 HydrophobicContact CH2-CB 3.65Å; W334-E461 HydrophobicContact CH2-CG 4.47Å; W334-E461 HydrophobicContact CZ2-CB 3.83Å; W334-L464 HydrophobicContact CB-CD1 4.15Å; W334-L464 HydrophobicContact CD2-CD1 4.01Å; W334-L464 HydrophobicContact CE3-CB 3.85Å; W334-L464 HydrophobicContact CE3-CD1 3.76Å; W334-L464 HydrophobicContact CE3-CG 4.45Å; W334-L464 HydrophobicContact CG-CD1 4.16Å; W334-L464 HydrophobicContact CZ3-CB 4.03Å; W334-K465 HydrophobicContact CH2-CG 4.34Å; W334-K465 HydrophobicContact CZ3-CG 4.26Å
335R89.3Confident90.2Very high119 Ų11951.6 Ų51.645%0.44925%0.251SS..Hα-helixtrans-57.3-44.1-179.9-66.7-179.6-179.4174.8-4.3113.5P333 A339 L464P333-R335 VanDerWaalsContact C-N 3.3Å; P333-R335 PolarHBondContact O-N 3.17Å; R335-A339 WeakPolarHBondContact O-CB 3.41Å; R335-A339 PolarHBondContact O-N 3.46Å; R335-A339 VanDerWaalsContact O-N 3.12Å; R335-L464 HydrophobicContact CG-CB 4.3Å; R335-L464 PolarHBondContact NE-O 2.87Å; R335-L464 PolarHBondContact NH2-O 2.9Å
336K90.5Very high90.1Very high132 Ų13247.6 Ų47.657%0.57423%0.234SC*.Hα-helixtrans-74.9-36.8-178.3-72.1-171.8178.2-1710110.8L332 P333 W334 L340L332-K336 HydrophobicContact CB-CB 3.84Å; L332-K336 HydrophobicContact CD1-CB 4.19Å; L332-K336 HydrophobicContact CG-CB 4.49Å; P333-K336 PolarHBondContact O-N 2.95Å; W334-K336 PolarHBondContact O-N 3.49Å; K336-L340 WeakPolarHBondContact O-CB 3.21Å; K336-L340 PolarHBondContact O-N 3.14Å
337H91.4Very high89.9Confident3 Ų344.4 Ų44.41%0.01422%0.218CC..Hα-helixtrans-64.2-47.5174.6-173.690.2000111.6A311 S314 W316 P317 S331 L332 P333 W334 A339 L340 R341A311-H337 PolarHBondContact O-CE1 2.84Å; S314-H337 PolarHBondContact O-CD2 3.43Å; S314-H337 PolarHBondContact O-NE2 3.2Å; W316-H337 PolarHBondContact O-NE2 2.82Å; W316-H337 VanDerWaalsContact O-NE2 3.08Å; P317-H337 HydrophobicContact CG-CB 3.92Å; S331-H337 PolarHBondContact OG-ND1 3.38Å; L332-H337 HydrophobicContact CB-CB 4.43Å; P333-H337 PolarHBondContact O-N 2.98Å; W334-H337 PolarHBondContact O-N 2.89Å; H337-A339 PolarHBondContact O-N 2.66Å; H337-L340 PolarHBondContact O-N 3.15Å; H337-L340 VanDerWaalsContact O-N 3.17Å; H337-R341 WeakPolarHBondContact O-CB 3.4Å; H337-R341 PolarHBondContact O-N 2.92Å
338D90.7Very high89.5Confident13 Ų1343.4 Ų43.47%0.0721%0.211CC..Hα-helixtrans-61.7-41.1176.7178.852.1000112.2W334 L340 R341 K342W334-D338 HydrophobicContact CH2-CB 4.14Å; W334-D338 HydrophobicContact CZ2-CB 4.2Å; W334-D338 HydrophobicContact CZ3-CB 4.44Å; W334-D338 WeakPolarHBondContact O-CB 3.21Å; W334-D338 PolarHBondContact O-N 2.8Å; D338-L340 VanDerWaalsContact C-N 3.35Å; D338-L340 PolarHBondContact O-N 3.23Å; D338-R341 PolarHBondContact O-N 3.09Å; D338-K342 WeakPolarHBondContact O-CG 3.42Å; D338-K342 PolarHBondContact O-N 3.02Å; D338-K342 WeakPolarHBondContact OD1-CE 3.37Å; D338-K342 IonicContact OD1-NZ 3.66Å; D338-K342 WeakPolarHBondContact OD2-CE 3.41Å; D338-K342 IonicContact OD2-NZ 3.8Å; D338-K342 PolarHBondContact OD2-NZ 2.84Å
339A90.2Very high89.2Confident58 Ų5843.8 Ų43.848%0.47921%0.214SC..Hα-helixtrans-60.7-44.1173.400000112R335 H337 K342 E343R335-A339 WeakPolarHBondContact O-CB 3.41Å; R335-A339 PolarHBondContact O-N 3.46Å; R335-A339 VanDerWaalsContact O-N 3.12Å; H337-A339 PolarHBondContact O-N 2.66Å; A339-K342 PolarHBondContact O-N 3.23Å; A339-E343 PolarHBondContact O-N 2.63Å
340L90.6Very high88.9Confident26 Ų2644.6 Ų44.614%0.13622%0.215CC..Hα-helixtrans-66.9-39.1178.5-171.663.8000112.2L312 L332 K336 H337 D338 E343 M344 L362 I364L312-L340 HydrophobicContact CD2-CD1 4.41Å; L312-L340 HydrophobicContact CD2-CD2 3.44Å; L312-L340 VanDerWaalsContact CD2-CD2 3.44Å; L312-L340 HydrophobicContact CD2-CG 3.59Å; L332-L340 HydrophobicContact CD1-CD2 4.09Å; K336-L340 WeakPolarHBondContact O-CB 3.21Å; K336-L340 PolarHBondContact O-N 3.14Å; H337-L340 PolarHBondContact O-N 3.15Å; H337-L340 VanDerWaalsContact O-N 3.17Å; D338-L340 VanDerWaalsContact C-N 3.35Å; D338-L340 PolarHBondContact O-N 3.23Å; L340-E343 PolarHBondContact O-N 3.28Å; L340-M344 PolarHBondContact O-N 3.21Å; L340-L362 HydrophobicContact CD1-CB 4.18Å; L340-L362 HydrophobicContact CD1-CD1 4.35Å; L340-L362 HydrophobicContact CD1-CD2 3.96Å; L340-L362 HydrophobicContact CD1-CG 4.38Å; L340-I364 HydrophobicContact CD2-CG1 3.87Å
341R89.9Confident88.7Confident17 Ų1746.5 Ų46.56%0.06422%0.223CC..Hα-helixtrans-59.5-48.4173.4177.7-176.8-178.3-140.2-8111.2D212 L312 Y313 S314 R315 H337 D338 E343 M344 L345D212-R341 IonicContact OD1-NH2 3.66Å; D212-R341 PolarHBondContact OD1-NH2 2.82Å; D212-R341 IonicContact OD2-NH2 2.99Å; D212-R341 PolarHBondContact OD2-NH2 2.92Å; L312-R341 WeakPolarHBondContact O-CA 3.39Å; L312-R341 WeakPolarHBondContact O-CB 3.45Å; L312-R341 WeakPolarHBondContact O-CG 3.3Å; Y313-R341 PolarHBondContact O-NE 2.64Å; S314-R341 WeakPolarHBondContact O-CD 3.46Å; R315-R341 VanDerWaalsContact CG-NH1 3.3Å; H337-R341 WeakPolarHBondContact O-CB 3.4Å; H337-R341 PolarHBondContact O-N 2.92Å; D338-R341 PolarHBondContact O-N 3.09Å; R341-E343 VanDerWaalsContact C-N 3.34Å; R341-E343 PolarHBondContact O-N 2.54Å; R341-M344 WeakPolarHBondContact O-CB 3.4Å; R341-M344 PolarHBondContact O-N 3.12Å; R341-M344 VanDerWaalsContact O-N 3.14Å; R341-L345 HydrophobicContact CG-CD1 4.2Å; R341-L345 WeakPolarHBondContact O-CG 3.31Å; R341-L345 PolarHBondContact O-N 3.35Å
342K88.7Confident88.5Confident88 Ų8847 Ų4738%0.38323%0.225SC..Hα-helixtrans-62-41178.2-73.1175-170.5150.20112.4D338 A339 M344 L345 L346 K465D338-K342 WeakPolarHBondContact O-CG 3.42Å; D338-K342 PolarHBondContact O-N 3.02Å; D338-K342 WeakPolarHBondContact OD1-CE 3.37Å; D338-K342 IonicContact OD1-NZ 3.66Å; D338-K342 WeakPolarHBondContact OD2-CE 3.41Å; D338-K342 IonicContact OD2-NZ 3.8Å; D338-K342 PolarHBondContact OD2-NZ 2.84Å; A339-K342 PolarHBondContact O-N 3.23Å; K342-M344 VanDerWaalsContact C-N 3.29Å; K342-M344 PolarHBondContact O-N 2.87Å; K342-L345 PolarHBondContact O-N 2.62Å; K342-L346 WeakPolarHBondContact O-CB 3.5Å; K342-L346 PolarHBondContact O-N 3.16Å; K342-K465 VanDerWaalsContact NZ-CE 3.26Å; K342-K465 VanDerWaalsContact NZ-NZ 3.11Å
343E90Very high88.4Confident83 Ų8349 Ų4939%0.38824%0.236SC..Hα-helixtrans-62.2-38.8174.5-176.358.3-156.200111.3A339 L340 R341 R347 L362A339-E343 PolarHBondContact O-N 2.63Å; L340-E343 PolarHBondContact O-N 3.28Å; R341-E343 VanDerWaalsContact C-N 3.34Å; R341-E343 PolarHBondContact O-N 2.54Å; E343-R347 VanDerWaalsContact O-CB 3.25Å; E343-R347 WeakPolarHBondContact O-CB 3.31Å; E343-R347 PolarHBondContact O-N 3.36Å; E343-L362 HydrophobicContact CB-CD1 4.42Å; E343-L362 HydrophobicContact CG-CD1 4.03Å; E343-L362 HydrophobicContact CG-CD2 4.07Å
344M88.2Confident87.9Confident13 Ų1349.6 Ų49.66%0.06423%0.234CC..Hα-helixtrans-64-47.5174.2-176.658.780.500112.3L312 Y313 L340 R341 K342 L346 R347 D348 L362L312-M344 HydrophobicContact CB-CB 4.43Å; L312-M344 HydrophobicContact CB-CE 3.92Å; L312-M344 HydrophobicContact CB-CG 4.19Å; L312-M344 HydrophobicContact CD1-CE 3.19Å; L312-M344 HydrophobicContact CD2-CE 4.44Å; L312-M344 HydrophobicContact CG-CE 4Å; Y313-M344 HydrophobicContact CE1-CG 3.91Å; Y313-M344 HydrophobicContact CE2-CG 4.28Å; L340-M344 PolarHBondContact O-N 3.21Å; R341-M344 WeakPolarHBondContact O-CB 3.4Å; R341-M344 PolarHBondContact O-N 3.12Å; R341-M344 VanDerWaalsContact O-N 3.14Å; K342-M344 VanDerWaalsContact C-N 3.29Å; K342-M344 PolarHBondContact O-N 2.87Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-L346 PolarHBondContact O-N 3.09Å; M344-R347 WeakPolarHBondContact O-CB 3.37Å; M344-R347 PolarHBondContact O-N 3.3Å; M344-D348 PolarHBondContact O-N 3.29Å; M344-L362 HydrophobicContact CB-CD1 4.08Å; M344-L362 HydrophobicContact CE-CB 4.16Å; M344-L362 HydrophobicContact CE-CD1 3.8Å; M344-L362 HydrophobicContact CE-CG 4.49Å; M344-L362 HydrophobicContact SD-CD1 4.2Å
345L86.8Confident86.8Confident41 Ų4155.7 Ų55.722%0.21526%0.263CS..Hα-helixtrans-60.6-42.7177.9-68.8173.8000111.3D212 Y313 R341 K342 D348 A349D212-L345 HydrophobicContact CB-CD2 4.32Å; Y313-L345 HydrophobicContact CD1-CD2 3.84Å; Y313-L345 HydrophobicContact CE1-CD2 4.1Å; R341-L345 HydrophobicContact CG-CD1 4.2Å; R341-L345 WeakPolarHBondContact O-CG 3.31Å; R341-L345 PolarHBondContact O-N 3.35Å; K342-L345 PolarHBondContact O-N 2.62Å; L345-D348 PolarHBondContact O-N 3.17Å; L345-A349 WeakPolarHBondContact O-CB 3.27Å; L345-A349 PolarHBondContact O-N 3.42Å
346L87Confident85.7Confident54 Ų5457.3 Ų57.328%0.28328%0.28SS..Hα-helixtrans-65-40.7176.2-176.762.8000112L91 K342 M344 A349 R350L91-L346 HydrophobicContact CD1-CD1 4.47Å; K342-L346 WeakPolarHBondContact O-CB 3.5Å; K342-L346 PolarHBondContact O-N 3.16Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-L346 PolarHBondContact O-N 3.09Å; L346-A349 PolarHBondContact O-N 3.2Å; L346-R350 WeakPolarHBondContact O-CB 3.25Å; L346-R350 VanDerWaalsContact O-CG 3.32Å; L346-R350 WeakPolarHBondContact O-CG 3.3Å; L346-R350 PolarHBondContact O-N 3.47Å
347R86.2Confident84.6Confident41 Ų4155 Ų5516%0.15527%0.274CS..Hα-helixtrans-60.7-45.5175.2177.8-169.5172.7175.58.2111.4E343 M344 R350 K351 T359 R360E343-R347 VanDerWaalsContact O-CB 3.25Å; E343-R347 WeakPolarHBondContact O-CB 3.31Å; E343-R347 PolarHBondContact O-N 3.36Å; M344-R347 WeakPolarHBondContact O-CB 3.37Å; M344-R347 PolarHBondContact O-N 3.3Å; R347-R350 PolarHBondContact O-N 2.79Å; R347-K351 WeakPolarHBondContact O-CG 3.33Å; R347-K351 PolarHBondContact O-N 2.52Å; R347-T359 HydrophobicContact CG-CG2 3.71Å; R347-T359 VanDerWaalsContact CZ-CB 3.49Å; R347-T359 PolarHBondContact NE-OG1 3.43Å; R347-T359 PolarHBondContact NH2-OG1 3.14Å; R347-R360 PolarHBondContact NH1-O 3.4Å
348D85.3Confident83.3Confident18 Ų1860.7 Ų60.710%0.09631%0.311CS..Hα-helixtrans-65.1-43177.8-87.44.8000112K216 Y313 M344 L345 R350 K351 I352K216-D348 IonicContact NZ-OD2 3.18Å; K216-D348 PolarHBondContact NZ-OD2 3.3Å; Y313-D348 WeakPolarHBondContact CE1-OD2 3.45Å; Y313-D348 VanDerWaalsContact OH-CG 3.32Å; Y313-D348 PolarHBondContact OH-OD2 2.87Å; M344-D348 PolarHBondContact O-N 3.29Å; L345-D348 PolarHBondContact O-N 3.17Å; D348-R350 VanDerWaalsContact C-N 3.31Å; D348-R350 PolarHBondContact O-N 2.94Å; D348-K351 PolarHBondContact O-N 3.24Å; D348-K351 IonicContact OD1-NZ 2.76Å; D348-I352 WeakPolarHBondContact O-CG1 3.26Å; D348-I352 PolarHBondContact O-N 2.96Å
349A87Confident82.2Confident9 Ų962.5 Ų62.57%0.07432%0.323CS..Hα-helixtrans-56.5-45172.300000111.7I219 L345 L346 K351 I352 L353I219-A349 HydrophobicContact CD1-CB 3.36Å; L345-A349 WeakPolarHBondContact O-CB 3.27Å; L345-A349 PolarHBondContact O-N 3.42Å; L346-A349 PolarHBondContact O-N 3.2Å; A349-K351 PolarHBondContact O-N 3.44Å; A349-I352 PolarHBondContact O-N 3.45Å; A349-L353 PolarHBondContact O-N 2.96Å
350R86.8Confident81.3Confident83 Ų8370.3 Ų70.331%0.31334%0.34SS..Hα-helixtrans-63-38.9176.3-76.7175.9-179.1159.8-0.2112.8L346 R347 D348 I352 L353 M354L346-R350 WeakPolarHBondContact O-CB 3.25Å; L346-R350 VanDerWaalsContact O-CG 3.32Å; L346-R350 WeakPolarHBondContact O-CG 3.3Å; L346-R350 PolarHBondContact O-N 3.47Å; R347-R350 PolarHBondContact O-N 2.79Å; D348-R350 VanDerWaalsContact C-N 3.31Å; D348-R350 PolarHBondContact O-N 2.94Å; R350-I352 VanDerWaalsContact C-N 3.25Å; R350-I352 PolarHBondContact O-N 3.14Å; R350-L353 PolarHBondContact O-N 3.39Å; R350-L353 VanDerWaalsContact O-N 3.16Å; R350-M354 WeakPolarHBondContact O-CA 3.48Å; R350-M354 PolarHBondContact O-N 3.48Å
351K86.6Confident80.6Confident86 Ų8677 Ų7737%0.37436%0.364SS..Hα-helixtrans-62.9-31.7176.9-75176.1-177.2169.30113.1R347 D348 A349 T359R347-K351 WeakPolarHBondContact O-CG 3.33Å; R347-K351 PolarHBondContact O-N 2.52Å; D348-K351 PolarHBondContact O-N 3.24Å; D348-K351 IonicContact OD1-NZ 2.76Å; A349-K351 PolarHBondContact O-N 3.44Å; K351-T359 HydrophobicContact CG-CG2 4.32Å
352I86.3Confident80.1Confident10 Ų1077.9 Ų77.95%0.05137%0.369CS..Hα-helixtrans-71.9-42174.9-58.4170.2000109.5K216 I219 A220 V223 D348 A349 R350K216-I352 HydrophobicContact CB-CD1 3.77Å; K216-I352 HydrophobicContact CG-CD1 4.14Å; I219-I352 HydrophobicContact CB-CG2 4.33Å; I219-I352 HydrophobicContact CG2-CB 3.9Å; I219-I352 HydrophobicContact CG2-CG2 3.64Å; A220-I352 HydrophobicContact CB-CG2 4.26Å; V223-I352 HydrophobicContact CG2-CG2 3.83Å; D348-I352 WeakPolarHBondContact O-CG1 3.26Å; D348-I352 PolarHBondContact O-N 2.96Å; A349-I352 PolarHBondContact O-N 3.45Å; R350-I352 VanDerWaalsContact C-N 3.25Å; R350-I352 PolarHBondContact O-N 3.14Å
353L85Confident79.7Confident62 Ų6281.7 Ų81.733%0.32539%0.386SS..Hα-helixtrans-71.7-36.7179.2-71170.1000114.2I219 V223 A349 R350I219-L353 HydrophobicContact CG2-CD1 4.41Å; I219-L353 HydrophobicContact CG2-CD2 3.59Å; I219-L353 HydrophobicContact CG2-CG 3.6Å; V223-L353 HydrophobicContact CG1-CD2 3.9Å; A349-L353 PolarHBondContact O-N 2.96Å; R350-L353 PolarHBondContact O-N 3.39Å; R350-L353 VanDerWaalsContact O-N 3.16Å
354M77.8Confident79.4Confident74 Ų7478.6 Ų78.637%0.36537%0.372SS..  trans-138.495.5-170.8-63.1178.2178.900107.6R350 D356 L357R350-M354 WeakPolarHBondContact O-CA 3.48Å; R350-M354 PolarHBondContact O-N 3.48Å; M354-D356 PolarHBondContact O-N 3.17Å; M354-D356 VanDerWaalsContact O-N 3.08Å; M354-L357 HydrophobicContact CB-CD1 4.14Å; M354-L357 HydrophobicContact SD-CD1 3.89Å
355Q68.3Low79.2Confident140 Ų14084 Ų8465%0.65440%0.397SS*.THydrogen-bonded Turntrans-62.2-19.1-171.1-65.2-178.2-3.300113.3
356D66.6Low79.3Confident152 Ų15284.7 Ų84.781%0.81340%0.401SS*.THydrogen-bonded Turntrans-115.314.5-168.2-60.9-40.4000116M354 P358M354-D356 PolarHBondContact O-N 3.17Å; M354-D356 VanDerWaalsContact O-N 3.08Å; D356-P358 WeakPolarHBondContact O-CD 3.38Å
357L66.1Low79.5Confident83 Ų8387 Ų8744%0.43541%0.408SS..  trans-72.4125.9-179.3-124.479.2000111.4M354 T359M354-L357 HydrophobicContact CB-CD1 4.14Å; M354-L357 HydrophobicContact SD-CD1 3.89Å; L357-T359 PolarHBondContact O-N 3.05Å; L357-T359 VanDerWaalsContact O-N 3.11Å
358P65.4Low79.8Confident124 Ų12488.6 Ų88.681%0.80543%0.43SS*.  trans-60.1121.2169.424.4-32.1000108.1D356D356-P358 WeakPolarHBondContact O-CD 3.38Å
359T66.7Low80.1Confident51 Ų5188.4 Ų88.431%0.31343%0.428SS..  trans-108.3117.1-175.346.30000111.2R347 K351 L357 R361R347-T359 HydrophobicContact CG-CG2 3.71Å; R347-T359 VanDerWaalsContact CZ-CB 3.49Å; R347-T359 PolarHBondContact NE-OG1 3.43Å; R347-T359 PolarHBondContact NH2-OG1 3.14Å; K351-T359 HydrophobicContact CG-CG2 4.32Å; L357-T359 PolarHBondContact O-N 3.05Å; L357-T359 VanDerWaalsContact O-N 3.11Å; T359-R361 PolarHBondContact O-N 2.87Å
360R72.6Confident80.1Confident221 Ų22191 Ų9183%0.83445%0.446SS*.  trans-51.6132.5173.2-173.4176.3178177.30.8109.9R347 L362R347-R360 PolarHBondContact NH1-O 3.4Å; R360-L362 PolarHBondContact O-N 3.44Å; R360-L362 VanDerWaalsContact O-N 3.14Å
361R74.5Confident79.8Confident168 Ų16887.6 Ų87.663%0.63444%0.435SS*.  trans-67.7112.3173.2-69.4-172.3-175.7-175.95.5108.5A66 T359A66-R361 VanDerWaalsContact CB-NH2 3.31Å; T359-R361 PolarHBondContact O-N 2.87Å
362L79.7Confident78.9Confident35 Ų3589.5 Ų89.518%0.18345%0.449CS..  trans-77.4131.6167.1-61.2177.2000108.1L340 E343 M344 R360L340-L362 HydrophobicContact CD1-CB 4.18Å; L340-L362 HydrophobicContact CD1-CD1 4.35Å; L340-L362 HydrophobicContact CD1-CD2 3.96Å; L340-L362 HydrophobicContact CD1-CG 4.38Å; E343-L362 HydrophobicContact CB-CD1 4.42Å; E343-L362 HydrophobicContact CG-CD1 4.03Å; E343-L362 HydrophobicContact CG-CD2 4.07Å; M344-L362 HydrophobicContact CB-CD1 4.08Å; M344-L362 HydrophobicContact CE-CB 4.16Å; M344-L362 HydrophobicContact CE-CD1 3.8Å; M344-L362 HydrophobicContact CE-CG 4.49Å; M344-L362 HydrophobicContact SD-CD1 4.2Å; R360-L362 PolarHBondContact O-N 3.44Å; R360-L362 VanDerWaalsContact O-N 3.14Å
363K81.1Confident78.2Confident168 Ų16893 Ų9373%0.7347%0.467SS*.  trans-123.5139.6175.6-69.4-173.7176.8-175.90108.5
364I82.8Confident78.2Confident18 Ų1890.1 Ų90.19%0.09245%0.453CS..PPolyproline II helixtrans-89.2122.8168.3-57.5-168.5000107.4M308 A311 L312 F318 L340 L366M308-I364 HydrophobicContact CE-CB 3.91Å; M308-I364 HydrophobicContact CE-CG2 4.28Å; A311-I364 HydrophobicContact CB-CD1 4.15Å; L312-I364 HydrophobicContact CD1-CG1 4.48Å; L312-I364 HydrophobicContact CD2-CD1 3.58Å; L312-I364 HydrophobicContact CD2-CG1 3.33Å; L312-I364 HydrophobicContact CG-CD1 3.67Å; L312-I364 HydrophobicContact CG-CG1 3.77Å; F318-I364 HydrophobicContact CE1-CD1 3.59Å; F318-I364 HydrophobicContact CE1-CG2 4.1Å; F318-I364 HydrophobicContact CZ-CD1 3.99Å; F318-I364 HydrophobicContact CZ-CG2 4.13Å; L340-I364 HydrophobicContact CD2-CG1 3.87Å; I364-L366 HydrophobicContact CG2-CD2 4.41Å
365E84.4Confident78.9Confident127 Ų12787.8 Ų87.859%0.59344%0.442SS*.PPolyproline II helixtrans-80.5128.8169-65.8176.6-177.800109.4L332L332-E365 HydrophobicContact CD2-CB 4.13Å
366L89.2Confident80.1Confident55 Ų5581.1 Ų81.129%0.28841%0.411SS..PPolyproline II helixtrans-97.5137.1172.8-67.8-177000109.4M308 F318 V320 F329 I364M308-L366 HydrophobicContact CE-CD1 3.73Å; M308-L366 HydrophobicContact CE-CD2 3.95Å; M308-L366 HydrophobicContact CE-CG 3.66Å; M308-L366 HydrophobicContact SD-CD1 4.3Å; F318-L366 HydrophobicContact CE2-CD2 4.22Å; F318-L366 HydrophobicContact CZ-CD2 4.16Å; V320-L366 HydrophobicContact CG2-CD1 4.25Å; F329-L366 HydrophobicContact CB-CB 4.02Å; F329-L366 HydrophobicContact CB-CD1 4.33Å; F329-L366 HydrophobicContact CD1-CB 4.36Å; F329-L366 HydrophobicContact CG-CB 4.37Å; I364-L366 HydrophobicContact CG2-CD2 4.41Å
367K91.3Very high81.2Confident103 Ų10376.7 Ų76.745%0.44839%0.386SS..EExtended strand (participates in β ladder)trans-120.6140.6176.4-66.9-170.6176.1-166.50110.1F329 H330 H369F329-K367 CarbonylContact C-O 3.55Å; F329-K367 VanDerWaalsContact CA-O 3.23Å; F329-K367 WeakPolarHBondContact CA-O 3.05Å; H330-K367 PolarHBondContact CD2-O 3.44Å; H330-K367 PolarHBondContact N-O 2.82Å; H330-K367 PolarHBondContact O-N 3.36Å; K367-H369 PolarHBondContact O-N 3.35Å
368A92.7Very high82.5Confident74 Ų7475.9 Ų75.961%0.61239%0.386SS*.EExtended strand (participates in β ladder)trans-62132.9175.800000109.8F329F329-A368 HydrophobicContact CD1-CB 4.37Å; F329-A368 HydrophobicContact CE1-CB 4.22Å
369H91.9Very high83.8Confident13 Ų1370.4 Ų70.46%0.0635%0.349CS..PPolyproline II helixtrans-82.9131.8178.8-167.172000110.7R277 S280 A281 Q284 V328 H330 K367R277-H369 WeakPolarHBondContact CD-O 3.25Å; R277-H369 PolarHBondContact O-CD2 3.42Å; S280-H369 WeakPolarHBondContact CB-NE2 3.33Å; S280-H369 PolarHBondContact OG-NE2 3.36Å; A281-H369 HydrophobicContact CB-CB 4.39Å; A281-H369 PolarHBondContact N-NE2 2.89Å; Q284-H369 PolarHBondContact NE2-CE1 3.23Å; V328-H369 HydrophobicContact CB-CB 4.18Å; V328-H369 HydrophobicContact CG1-CB 3.87Å; V328-H369 PolarHBondContact O-N 3.48Å; H330-H369 AromaticContact CD2-ND1 3.61Å; K367-H369 PolarHBondContact O-N 3.35Å
370S87Confident85.1Confident64 Ų6468 Ų6845%0.44834%0.335SS..PPolyproline II helixtrans-101.4145.7167.9171.60000110.4D372S370-D372 PolarHBondContact OG-N 3.29Å; S370-D372 PolarHBondContact OG-OD2 3.47Å
371V79.6Confident86Confident12 Ų1260.2 Ų60.27%0.07331%0.31CS..  trans-85.8-19177.41530000113.8A276 R277 D373 S374 I377A276-V371 HydrophobicContact CB-CB 4.42Å; A276-V371 HydrophobicContact CB-CG1 3.86Å; A276-V371 HydrophobicContact CB-CG2 3.59Å; R277-V371 HydrophobicContact CB-CG2 3.81Å; R277-V371 HydrophobicContact CG-CB 4.11Å; R277-V371 HydrophobicContact CG-CG2 3.24Å; V371-D373 PolarHBondContact O-N 2.87Å; V371-S374 PolarHBondContact O-N 2.91Å; V371-S374 PolarHBondContact O-OG 2.99Å; V371-I377 HydrophobicContact CG1-CD1 3.3Å; V371-I377 HydrophobicContact CG1-CG1 3.42Å; V371-I377 VanDerWaalsContact CG1-CG1 3.42Å
372D68.5Low86.9Confident126 Ų12657 Ų5767%0.67430%0.302SS*.THydrogen-bonded Turntrans-57.6-15.2-158.8-57.5-35.5000114.7S370S370-D372 PolarHBondContact OG-N 3.29Å; S370-D372 PolarHBondContact OG-OD2 3.47Å
373D70.2Confident87.4Confident82 Ų8255.4 Ų55.444%0.43929%0.293SS..THydrogen-bonded Turntrans-123.846-173.3-65.7-37000114V371 L441 G443V371-D373 PolarHBondContact O-N 2.87Å; D373-L441 HydrophobicContact CB-CB 4.27Å; D373-G443 WeakPolarHBondContact O-CA 3.43Å; D373-G443 PolarHBondContact O-N 3.27Å
374S85.4Confident87.9Confident3 Ų348.5 Ų48.52%0.02127%0.265CS..  trans-145149.6175.867.60000117.5S280 V371 V376 I377 D444S280-S374 WeakPolarHBondContact OG-CB 3.39Å; S280-S374 PolarHBondContact OG-OG 3.45Å; V371-S374 PolarHBondContact O-N 2.91Å; V371-S374 PolarHBondContact O-OG 2.99Å; S374-V376 PolarHBondContact O-N 3.32Å; S374-I377 PolarHBondContact O-N 3.19Å; S374-D444 WeakPolarHBondContact CA-OD1 3.4Å
375I92.6Very high88.3Confident25 Ų2555 Ų5513%0.12830%0.295CS..THydrogen-bonded Turntrans-58.6-12.5173.6-167.2160.8000113.9I377 P378 F379 F400 L404 R407 D444 I447I375-I377 VanDerWaalsContact C-N 3.3Å; I375-I377 PolarHBondContact O-N 3.33Å; I375-P378 WeakPolarHBondContact O-CD 3.16Å; I375-F379 PolarHBondContact O-N 2.93Å; I375-F379 VanDerWaalsContact O-N 3.13Å; I375-F400 HydrophobicContact CG1-CE2 4.24Å; I375-F400 HydrophobicContact CG2-CE2 4Å; I375-F400 HydrophobicContact CG2-CZ 4.08Å; I375-L404 HydrophobicContact CG2-CD2 4.34Å; I375-R407 VanDerWaalsContact CD1-NH1 3.29Å; I375-D444 WeakPolarHBondContact CB-OD1 3.34Å; I375-D444 PolarHBondContact N-OD1 3.06Å; I375-I447 HydrophobicContact CG2-CD1 4.34Å
376V92.8Very high88.6Confident0 Ų051.1 Ų51.10%028%0.278CS..Hα-helixtrans-61.2-38.3176.8177.80000111.4V279 L283 S374 F379 L380 I447V279-V376 HydrophobicContact CB-CG1 3.81Å; V279-V376 HydrophobicContact CG1-CG1 3.71Å; V279-V376 HydrophobicContact CG1-CG2 4.01Å; L283-V376 HydrophobicContact CD1-CG2 4.02Å; S374-V376 PolarHBondContact O-N 3.32Å; V376-F379 WeakPolarHBondContact O-CB 3.14Å; V376-F379 PolarHBondContact O-N 3.12Å; V376-L380 HydrophobicContact CG1-CD1 3.96Å; V376-L380 HydrophobicContact CG1-CG 4.17Å; V376-L380 WeakPolarHBondContact O-CG 3.41Å; V376-L380 PolarHBondContact O-N 2.83Å; V376-I447 HydrophobicContact CG2-CD1 4.4Å
377I91Very high88.6Confident59 Ų5951.7 Ų51.730%0.30329%0.285SS..Hα-helixtrans-63.9-52.9179.9-57.9171.2000111.1V371 S374 I375 F379 L380 N381V371-I377 HydrophobicContact CG1-CD1 3.3Å; V371-I377 HydrophobicContact CG1-CG1 3.42Å; V371-I377 VanDerWaalsContact CG1-CG1 3.42Å; S374-I377 PolarHBondContact O-N 3.19Å; I375-I377 VanDerWaalsContact C-N 3.3Å; I375-I377 PolarHBondContact O-N 3.33Å; I377-F379 PolarHBondContact O-N 2.66Å; I377-L380 PolarHBondContact O-N 3.39Å; I377-N381 WeakPolarHBondContact O-CB 3.39Å; I377-N381 PolarHBondContact O-N 2.83Å; I377-N381 PolarHBondContact O-ND2 3.32Å
378P92.4Very high88.2Confident65 Ų6552.6 Ų52.642%0.42229%0.286SS..Hα-helixtrans-52.8-39.9171.2-27.831.8000114.1I375 Q382I375-P378 WeakPolarHBondContact O-CD 3.16Å; P378-Q382 WeakPolarHBondContact O-CG 3.39Å; P378-Q382 PolarHBondContact O-N 3.27Å
379F94Very high87.7Confident9 Ų955.2 Ų55.24%0.03929%0.286CS..Hα-helixtrans-63.1-49.1178164.1-106.5000112.2F264 I375 V376 I377 N381 Q382 M383 F396 F400F264-F379 HydrophobicContact CE1-CE1 4.14Å; F264-F379 HydrophobicContact CZ-CE1 4.4Å; I375-F379 PolarHBondContact O-N 2.93Å; I375-F379 VanDerWaalsContact O-N 3.13Å; V376-F379 WeakPolarHBondContact O-CB 3.14Å; V376-F379 PolarHBondContact O-N 3.12Å; I377-F379 PolarHBondContact O-N 2.66Å; F379-N381 PolarHBondContact O-N 3.18Å; F379-Q382 PolarHBondContact O-N 2.84Å; F379-M383 HydrophobicContact CE1-CE 4.32Å; F379-M383 HydrophobicContact CE2-CE 3.71Å; F379-M383 HydrophobicContact CZ-CE 3.41Å; F379-M383 VanDerWaalsContact CZ-CE 3.41Å; F379-M383 PolarHBondContact O-N 3.42Å; F379-F396 HydrophobicContact CD2-CD1 4.2Å; F379-F396 AromaticContact CD2-CE1 3.51Å; F379-F396 HydrophobicContact CD2-CE1 3.51Å; F379-F396 HydrophobicContact CD2-CZ 4.08Å; F379-F396 AromaticContact CE2-CD1 3.77Å; F379-F396 HydrophobicContact CE2-CD1 3.77Å; F379-F396 AromaticContact CE2-CE1 3.55Å; F379-F396 HydrophobicContact CE2-CE1 3.55Å; F379-F396 HydrophobicContact CE2-CZ 4.45Å; F379-F400 HydrophobicContact CB-CD2 3.97Å; F379-F400 HydrophobicContact CB-CE2 3.87Å; F379-F400 HydrophobicContact CB-CG 4.48Å; F379-F400 HydrophobicContact CB-CZ 4.28Å; F379-F400 HydrophobicContact CD1-CD1 4.28Å; F379-F400 HydrophobicContact CD1-CE1 4.26Å; F379-F400 HydrophobicContact CD2-CB 3.59Å; F379-F400 AromaticContact CD2-CD1 3.93Å; F379-F400 HydrophobicContact CD2-CD1 3.93Å; F379-F400 AromaticContact CD2-CD2 3.69Å; F379-F400 HydrophobicContact CD2-CD2 3.69Å; F379-F400 HydrophobicContact CD2-CE2 4.35Å; F379-F400 AromaticContact CD2-CG 3.45Å; F379-F400 HydrophobicContact CD2-CG 3.45Å; F379-F400 VanDerWaalsContact CD2-CG 3.45Å; F379-F400 HydrophobicContact CE1-CD1 4.29Å; F379-F400 HydrophobicContact CE2-CB 3.51Å; F379-F400 AromaticContact CE2-CD1 3.93Å; F379-F400 HydrophobicContact CE2-CD1 3.93Å; F379-F400 HydrophobicContact CE2-CD2 4.4Å; F379-F400 AromaticContact CE2-CG 3.7Å; F379-F400 HydrophobicContact CE2-CG 3.7Å; F379-F400 HydrophobicContact CG-CD1 4.1Å; F379-F400 AromaticContact CG-CD2 3.9Å; F379-F400 HydrophobicContact CG-CD2 3.9Å; F379-F400 HydrophobicContact CG-CE1 4.27Å; F379-F400 HydrophobicContact CG-CE2 4.09Å; F379-F400 AromaticContact CG-CG 3.91Å; F379-F400 HydrophobicContact CG-CG 3.91Å; F379-F400 HydrophobicContact CG-CZ 4.26Å; F379-F400 HydrophobicContact CZ-CB 4.38Å; F379-F400 HydrophobicContact CZ-CD1 4.11Å; F379-F400 HydrophobicContact CZ-CG 4.34Å
380L93Very high87.2Confident1 Ų157.4 Ų57.41%0.00530%0.298CS..Hα-helixtrans-64.3-40.5177.9-66.3176.6000111.8F264 H270 L275 A276 V376 I377 Q382 M383 D384F264-L380 HydrophobicContact CD1-CD2 4.26Å; F264-L380 HydrophobicContact CE1-CD2 3.84Å; H270-L380 HydrophobicContact CB-CB 4.21Å; L275-L380 HydrophobicContact CD2-CD2 4.31Å; A276-L380 HydrophobicContact CB-CD1 3.79Å; V376-L380 HydrophobicContact CG1-CD1 3.96Å; V376-L380 HydrophobicContact CG1-CG 4.17Å; V376-L380 WeakPolarHBondContact O-CG 3.41Å; V376-L380 PolarHBondContact O-N 2.83Å; I377-L380 PolarHBondContact O-N 3.39Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 2.92Å; L380-M383 WeakPolarHBondContact O-CB 3.42Å; L380-M383 PolarHBondContact O-N 3.18Å; L380-D384 PolarHBondContact O-N 2.59Å; L380-D384 VanDerWaalsContact O-N 3.13Å
381N92Very high87.3Confident58 Ų5860.2 Ų60.231%0.3131%0.312SS..Hα-helixtrans-56.9-41.4174.1-80-36.2000112.4H270 I377 F379 Q385H270-N381 HydrophobicContact CB-CB 4.45Å; H270-N381 WeakPolarHBondContact CB-OD1 3.17Å; H270-N381 PolarHBondContact CD2-OD1 3.46Å; H270-N381 VanDerWaalsContact CG-OD1 3.22Å; I377-N381 WeakPolarHBondContact O-CB 3.39Å; I377-N381 PolarHBondContact O-N 2.83Å; I377-N381 PolarHBondContact O-ND2 3.32Å; F379-N381 PolarHBondContact O-N 3.18Å; N381-Q385 WeakPolarHBondContact O-CG 3.43Å; N381-Q385 PolarHBondContact O-NE2 2.82Å
382Q93Very high87.9Confident101 Ų10162.6 Ų62.647%0.47232%0.324SS..Hα-helixtrans-74.2-37.1177.4-72.8176.74.500111.7P378 F379 L380 D384 Q385 F396P378-Q382 WeakPolarHBondContact O-CG 3.39Å; P378-Q382 PolarHBondContact O-N 3.27Å; F379-Q382 PolarHBondContact O-N 2.84Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 2.92Å; Q382-D384 VanDerWaalsContact C-N 3.28Å; Q382-D384 PolarHBondContact O-N 3.16Å; Q382-Q385 WeakPolarHBondContact O-CB 3.32Å; Q382-Q385 PolarHBondContact O-N 3.07Å; Q382-Q385 VanDerWaalsContact O-N 3.11Å; Q382-F396 HydrophobicContact CB-CE1 3.96Å; Q382-F396 HydrophobicContact CB-CE2 4.35Å; Q382-F396 HydrophobicContact CB-CZ 3.47Å; Q382-F396 VanDerWaalsContact CB-CZ 3.47Å; Q382-F396 HydrophobicContact CG-CZ 4.45Å
383M91.5Very high89Confident0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-56.6-42.5177.1-174.665.478.400112F379 L380 Q385 L386 R393 F396 S397F379-M383 HydrophobicContact CE1-CE 4.32Å; F379-M383 HydrophobicContact CE2-CE 3.71Å; F379-M383 HydrophobicContact CZ-CE 3.41Å; F379-M383 VanDerWaalsContact CZ-CE 3.41Å; F379-M383 PolarHBondContact O-N 3.42Å; L380-M383 WeakPolarHBondContact O-CB 3.42Å; L380-M383 PolarHBondContact O-N 3.18Å; M383-Q385 PolarHBondContact O-N 2.81Å; M383-L386 WeakPolarHBondContact O-CB 3.3Å; M383-L386 PolarHBondContact O-N 2.56Å; M383-L386 VanDerWaalsContact O-N 3.11Å; M383-L386 HydrophobicContact SD-CD1 4.35Å; M383-R393 HydrophobicContact SD-CB 3.7Å; M383-R393 HydrophobicContact SD-CG 3.68Å; M383-F396 HydrophobicContact CB-CD1 4.47Å; M383-F396 HydrophobicContact CB-CE1 4.29Å; M383-F396 HydrophobicContact CE-CD1 3.65Å; M383-F396 HydrophobicContact CE-CE1 4.31Å; M383-F396 HydrophobicContact SD-CD1 3.92Å; M383-S397 WeakPolarHBondContact CE-OG 3.46Å
384D90.2Very high90Very high24 Ų2455.3 Ų55.313%0.12829%0.286CS..THydrogen-bonded Turntrans-68.8-19.3-179.7-74.3-25.2000114.1N268 S269 H270 L380 Q382 L386N268-D384 VanDerWaalsContact CA-OD2 3.23Å; N268-D384 WeakPolarHBondContact CA-OD2 3.29Å; S269-D384 WeakPolarHBondContact CB-OD1 2.98Å; S269-D384 VanDerWaalsContact N-CG 3.29Å; S269-D384 PolarHBondContact N-OD1 3.19Å; S269-D384 PolarHBondContact N-OD2 2.91Å; S269-D384 PolarHBondContact OG-OD1 2.89Å; S269-D384 PolarHBondContact OG-OD2 3.17Å; H270-D384 WeakPolarHBondContact CB-OD2 3.18Å; H270-D384 IonicContact CE1-OD2 2.7Å; H270-D384 IonicContact CG-OD2 3.78Å; H270-D384 PolarHBondContact N-OD2 2.77Å; H270-D384 IonicContact ND1-OD2 3.07Å; H270-D384 PolarHBondContact ND1-OD2 2.81Å; L380-D384 PolarHBondContact O-N 2.59Å; L380-D384 VanDerWaalsContact O-N 3.13Å; Q382-D384 VanDerWaalsContact C-N 3.28Å; Q382-D384 PolarHBondContact O-N 3.16Å; D384-L386 VanDerWaalsContact C-N 3.29Å
385Q91.3Very high90.3Very high155 Ų15556.9 Ų56.972%0.72430%0.303SS*.THydrogen-bonded Turntrans-81.5-12.1175.5-62.3172.626.100112.3N381 Q382 M383N381-Q385 WeakPolarHBondContact O-CG 3.43Å; N381-Q385 PolarHBondContact O-NE2 2.82Å; Q382-Q385 WeakPolarHBondContact O-CB 3.32Å; Q382-Q385 PolarHBondContact O-N 3.07Å; Q382-Q385 VanDerWaalsContact O-N 3.11Å; M383-Q385 PolarHBondContact O-N 2.81Å
386L91.4Very high90.5Very high45 Ų4557.3 Ų57.324%0.23630%0.304CS..SBendtrans-87.8146.6-178.6-60.7175000111.6M383 D384 I392 R393 F396M383-L386 WeakPolarHBondContact O-CB 3.3Å; M383-L386 PolarHBondContact O-N 2.56Å; M383-L386 VanDerWaalsContact O-N 3.11Å; M383-L386 HydrophobicContact SD-CD1 4.35Å; D384-L386 VanDerWaalsContact C-N 3.29Å; L386-I392 HydrophobicContact CB-CG2 4.13Å; L386-I392 HydrophobicContact CD1-CG2 4.31Å; L386-I392 HydrophobicContact CD2-CG2 4.23Å; L386-I392 HydrophobicContact CG-CG2 4.46Å; L386-R393 HydrophobicContact CB-CG 4.48Å; L386-R393 PolarHBondContact O-NH2 3.09Å; L386-R393 VanDerWaalsContact O-NH2 3.12Å; L386-F396 HydrophobicContact CD1-CB 3.42Å; L386-F396 VanDerWaalsContact CD1-CB 3.42Å; L386-F396 HydrophobicContact CD1-CD1 3.52Å; L386-F396 HydrophobicContact CD1-CD2 3.92Å; L386-F396 HydrophobicContact CD1-CE1 4.26Å; L386-F396 HydrophobicContact CD1-CG 3.33Å
387P89.2Confident90.5Very high67 Ų6758.2 Ų58.244%0.43531%0.31SS..  trans-53.5144170.7-2230.9000111.5Q389 I392P387-Q389 HydrophobicContact CB-CG 4.44Å; P387-Q389 PolarHBondContact O-N 2.9Å; P387-I392 HydrophobicContact CB-CD1 3.99Å; P387-I392 HydrophobicContact CG-CD1 3.83Å
388Y82.6Confident90.6Very high122 Ų12260 Ų6048%0.47832%0.32SS..SBendtrans-67.79179.4-62.8-88.6000114.4A265 A267 N390A265-Y388 VanDerWaalsContact O-CD1 3.3Å; A265-Y388 WeakPolarHBondContact O-CD1 3.38Å; A267-Y388 WeakPolarHBondContact CA-OH 3.37Å; A267-Y388 HydrophobicContact CB-CE1 4.24Å; A267-Y388 WeakPolarHBondContact CB-OH 3.4Å; Y388-N390 PolarHBondContact O-N 2.83Å
389Q81.4Confident90.8Very high129 Ų12962.9 Ų62.960%0.60333%0.328SS*.  trans-70.2124.4177.2-65.8174.2-1.700109.5P387 V391 I392 R393P387-Q389 HydrophobicContact CB-CG 4.44Å; P387-Q389 PolarHBondContact O-N 2.9Å; Q389-V391 PolarHBondContact O-N 3.02Å; Q389-I392 HydrophobicContact CB-CD1 4.27Å; Q389-I392 HydrophobicContact CB-CG1 4.35Å; Q389-I392 PolarHBondContact O-N 3.09Å; Q389-R393 PolarHBondContact O-N 2.8Å
390N81.3Confident90.9Very high58 Ų5863.4 Ų63.431%0.3133%0.33SS..Hα-helixtrans-50.4-39.7-175.2-61.24000112.3D258 I259 A260 Y388 I392 T394D258-N390 VanDerWaalsContact CG-ND2 3.35Å; D258-N390 PolarHBondContact OD1-ND2 3.48Å; D258-N390 PolarHBondContact OD2-ND2 2.92Å; I259-N390 HydrophobicContact CG2-CB 3.82Å; A260-N390 VanDerWaalsContact CB-ND2 3.27Å; A260-N390 WeakPolarHBondContact CB-ND2 3.41Å; Y388-N390 PolarHBondContact O-N 2.83Å; N390-I392 PolarHBondContact O-N 3.47Å; N390-T394 WeakPolarHBondContact O-CB 3.42Å; N390-T394 PolarHBondContact O-N 3.04Å; N390-T394 PolarHBondContact O-OG1 2.79Å
391V89.5Confident91Very high124 Ų12467.7 Ų67.775%0.75235%0.353SS*.Hα-helixtrans-64-41.2-178.1-1770000111.9Q389 G395Q389-V391 PolarHBondContact O-N 3.02Å; V391-G395 PolarHBondContact O-N 3.35Å
392I92.1Very high91.2Very high62 Ų6270 Ų7032%0.31837%0.365SS..Hα-helixtrans-70.7-49.5-177.8-61.9176.8000110.1L386 P387 Q389 N390 T394 G395 F396L386-I392 HydrophobicContact CB-CG2 4.13Å; L386-I392 HydrophobicContact CD1-CG2 4.31Å; L386-I392 HydrophobicContact CD2-CG2 4.23Å; L386-I392 HydrophobicContact CG-CG2 4.46Å; P387-I392 HydrophobicContact CB-CD1 3.99Å; P387-I392 HydrophobicContact CG-CD1 3.83Å; Q389-I392 HydrophobicContact CB-CD1 4.27Å; Q389-I392 HydrophobicContact CB-CG1 4.35Å; Q389-I392 PolarHBondContact O-N 3.09Å; N390-I392 PolarHBondContact O-N 3.47Å; I392-T394 VanDerWaalsContact C-N 3.34Å; I392-T394 PolarHBondContact O-N 3.39Å; I392-G395 PolarHBondContact O-N 2.96Å; I392-F396 WeakPolarHBondContact O-CB 3.2Å; I392-F396 PolarHBondContact O-N 3.36Å
393R91.6Very high91.4Very high3 Ų367.2 Ų67.21%0.01136%0.357CS..Hα-helixtrans-66-36.7179.3-65.7-165.3172.9-167.1-5.9112.3I259 F264 E266 M383 L386 Q389 S397I259-R393 HydrophobicContact CD1-CB 3.91Å; F264-R393 WeakPolarHBondContact O-CD 3.48Å; F264-R393 PolarHBondContact O-NH1 3.27Å; E266-R393 PolarHBondContact O-NH1 3.14Å; E266-R393 VanDerWaalsContact O-NH1 3.09Å; M383-R393 HydrophobicContact SD-CB 3.7Å; M383-R393 HydrophobicContact SD-CG 3.68Å; L386-R393 HydrophobicContact CB-CG 4.48Å; L386-R393 PolarHBondContact O-NH2 3.09Å; L386-R393 VanDerWaalsContact O-NH2 3.12Å; Q389-R393 PolarHBondContact O-N 2.8Å; R393-S397 WeakPolarHBondContact O-CB 3.38Å; R393-S397 PolarHBondContact O-N 3.18Å; R393-S397 PolarHBondContact O-OG 2.8Å
394T91Very high91.6Very high51 Ų5167.6 Ų67.631%0.31336%0.359SS..Hα-helixtrans-62-50.3171.9-61.70000110.9I259 N390 I392 F396 S397 L398I259-T394 VanDerWaalsContact CG2-OG1 3.3Å; I259-T394 WeakPolarHBondContact CG2-OG1 3.34Å; N390-T394 WeakPolarHBondContact O-CB 3.42Å; N390-T394 PolarHBondContact O-N 3.04Å; N390-T394 PolarHBondContact O-OG1 2.79Å; I392-T394 VanDerWaalsContact C-N 3.34Å; I392-T394 PolarHBondContact O-N 3.39Å; T394-F396 VanDerWaalsContact C-N 3.32Å; T394-F396 PolarHBondContact O-N 3.08Å; T394-S397 WeakPolarHBondContact O-CB 3.23Å; T394-S397 PolarHBondContact O-N 2.89Å; T394-L398 HydrophobicContact CG2-CD1 4.15Å; T394-L398 WeakPolarHBondContact O-CG 3.45Å; T394-L398 PolarHBondContact O-N 3.25Å
395G93.4Very high91.9Very high37 Ų3767.9 Ų67.938%0.38137%0.365SS..Hα-helixtrans-58.1-43.1178.400000112.6V391 I392 L398 Q399V391-G395 PolarHBondContact O-N 3.35Å; I392-G395 PolarHBondContact O-N 2.96Å; G395-L398 PolarHBondContact O-N 3.16Å; G395-Q399 PolarHBondContact O-N 2.99Å
396F95.1Very high92.2Very high33 Ų3366.3 Ų66.315%0.14536%0.359CS..Hα-helixtrans-66.4-39.8176.3-176.2-111.1000112.8F379 Q382 M383 L386 I392 T394 L398 Q399 F400F379-F396 HydrophobicContact CD2-CD1 4.2Å; F379-F396 AromaticContact CD2-CE1 3.51Å; F379-F396 HydrophobicContact CD2-CE1 3.51Å; F379-F396 HydrophobicContact CD2-CZ 4.08Å; F379-F396 AromaticContact CE2-CD1 3.77Å; F379-F396 HydrophobicContact CE2-CD1 3.77Å; F379-F396 AromaticContact CE2-CE1 3.55Å; F379-F396 HydrophobicContact CE2-CE1 3.55Å; F379-F396 HydrophobicContact CE2-CZ 4.45Å; Q382-F396 HydrophobicContact CB-CE1 3.96Å; Q382-F396 HydrophobicContact CB-CE2 4.35Å; Q382-F396 HydrophobicContact CB-CZ 3.47Å; Q382-F396 VanDerWaalsContact CB-CZ 3.47Å; Q382-F396 HydrophobicContact CG-CZ 4.45Å; M383-F396 HydrophobicContact CB-CD1 4.47Å; M383-F396 HydrophobicContact CB-CE1 4.29Å; M383-F396 HydrophobicContact CE-CD1 3.65Å; M383-F396 HydrophobicContact CE-CE1 4.31Å; M383-F396 HydrophobicContact SD-CD1 3.92Å; L386-F396 HydrophobicContact CD1-CB 3.42Å; L386-F396 VanDerWaalsContact CD1-CB 3.42Å; L386-F396 HydrophobicContact CD1-CD1 3.52Å; L386-F396 HydrophobicContact CD1-CD2 3.92Å; L386-F396 HydrophobicContact CD1-CE1 4.26Å; L386-F396 HydrophobicContact CD1-CG 3.33Å; I392-F396 WeakPolarHBondContact O-CB 3.2Å; I392-F396 PolarHBondContact O-N 3.36Å; T394-F396 VanDerWaalsContact C-N 3.32Å; T394-F396 PolarHBondContact O-N 3.08Å; F396-L398 PolarHBondContact O-N 3.17Å; F396-Q399 WeakPolarHBondContact O-CB 3.28Å; F396-Q399 PolarHBondContact O-N 3.28Å; F396-F400 PolarHBondContact O-N 3.49Å
397S92.9Very high92.4Very high19 Ų1969.1 Ų69.113%0.13337%0.366CS..Hα-helixtrans-61.3-43.7173.8-58.30000111.7M383 R393 T394 Q399 F400 L401M383-S397 WeakPolarHBondContact CE-OG 3.46Å; R393-S397 WeakPolarHBondContact O-CB 3.38Å; R393-S397 PolarHBondContact O-N 3.18Å; R393-S397 PolarHBondContact O-OG 2.8Å; T394-S397 WeakPolarHBondContact O-CB 3.23Å; T394-S397 PolarHBondContact O-N 2.89Å; S397-Q399 VanDerWaalsContact C-N 3.33Å; S397-Q399 PolarHBondContact O-N 3.2Å; S397-F400 WeakPolarHBondContact O-CB 3.48Å; S397-F400 PolarHBondContact O-N 2.96Å; S397-L401 WeakPolarHBondContact O-CG 3.46Å; S397-L401 PolarHBondContact O-N 2.97Å
398L93.8Very high92.7Very high97 Ų9766 Ų6651%0.50835%0.346SS..Hα-helixtrans-63.5-39.3175.2-69.8172.7000111.7T394 G395 F396 F400 L401 N402T394-L398 HydrophobicContact CG2-CD1 4.15Å; T394-L398 WeakPolarHBondContact O-CG 3.45Å; T394-L398 PolarHBondContact O-N 3.25Å; G395-L398 PolarHBondContact O-N 3.16Å; F396-L398 PolarHBondContact O-N 3.17Å; L398-F400 VanDerWaalsContact C-N 3.34Å; L398-F400 PolarHBondContact O-N 2.91Å; L398-L401 PolarHBondContact O-N 3.25Å; L398-N402 WeakPolarHBondContact O-CB 3.01Å; L398-N402 VanDerWaalsContact O-CG 3.28Å; L398-N402 PolarHBondContact O-N 2.91Å; L398-N402 PolarHBondContact O-ND2 3.3Å
399Q96.4Very high93.4Very high126 Ų12663.7 Ų63.759%0.58934%0.342SS*.Hα-helixtrans-62.5-41.5174.6-174.5-179.14.900111.7G395 F396 S397 N402 S403G395-Q399 PolarHBondContact O-N 2.99Å; F396-Q399 WeakPolarHBondContact O-CB 3.28Å; F396-Q399 PolarHBondContact O-N 3.28Å; S397-Q399 VanDerWaalsContact C-N 3.33Å; S397-Q399 PolarHBondContact O-N 3.2Å; Q399-N402 PolarHBondContact O-N 3.07Å; Q399-S403 PolarHBondContact O-N 3.49Å
400F96.6Very high94.1Very high20 Ų2059.7 Ų59.79%0.08833%0.33CS..Hα-helixtrans-60.7-48.5174.7174.9-111.4000111.5L283 I375 F379 F396 S397 L398 N402 S403 L404L283-F400 HydrophobicContact CD1-CE1 4Å; L283-F400 HydrophobicContact CD1-CZ 4.24Å; I375-F400 HydrophobicContact CG1-CE2 4.24Å; I375-F400 HydrophobicContact CG2-CE2 4Å; I375-F400 HydrophobicContact CG2-CZ 4.08Å; F379-F400 HydrophobicContact CB-CD2 3.97Å; F379-F400 HydrophobicContact CB-CE2 3.87Å; F379-F400 HydrophobicContact CB-CG 4.48Å; F379-F400 HydrophobicContact CB-CZ 4.28Å; F379-F400 HydrophobicContact CD1-CD1 4.28Å; F379-F400 HydrophobicContact CD1-CE1 4.26Å; F379-F400 HydrophobicContact CD2-CB 3.59Å; F379-F400 AromaticContact CD2-CD1 3.93Å; F379-F400 HydrophobicContact CD2-CD1 3.93Å; F379-F400 AromaticContact CD2-CD2 3.69Å; F379-F400 HydrophobicContact CD2-CD2 3.69Å; F379-F400 HydrophobicContact CD2-CE2 4.35Å; F379-F400 AromaticContact CD2-CG 3.45Å; F379-F400 HydrophobicContact CD2-CG 3.45Å; F379-F400 VanDerWaalsContact CD2-CG 3.45Å; F379-F400 HydrophobicContact CE1-CD1 4.29Å; F379-F400 HydrophobicContact CE2-CB 3.51Å; F379-F400 AromaticContact CE2-CD1 3.93Å; F379-F400 HydrophobicContact CE2-CD1 3.93Å; F379-F400 HydrophobicContact CE2-CD2 4.4Å; F379-F400 AromaticContact CE2-CG 3.7Å; F379-F400 HydrophobicContact CE2-CG 3.7Å; F379-F400 HydrophobicContact CG-CD1 4.1Å; F379-F400 AromaticContact CG-CD2 3.9Å; F379-F400 HydrophobicContact CG-CD2 3.9Å; F379-F400 HydrophobicContact CG-CE1 4.27Å; F379-F400 HydrophobicContact CG-CE2 4.09Å; F379-F400 AromaticContact CG-CG 3.91Å; F379-F400 HydrophobicContact CG-CG 3.91Å; F379-F400 HydrophobicContact CG-CZ 4.26Å; F379-F400 HydrophobicContact CZ-CB 4.38Å; F379-F400 HydrophobicContact CZ-CD1 4.11Å; F379-F400 HydrophobicContact CZ-CG 4.34Å; F396-F400 PolarHBondContact O-N 3.49Å; S397-F400 WeakPolarHBondContact O-CB 3.48Å; S397-F400 PolarHBondContact O-N 2.96Å; L398-F400 VanDerWaalsContact C-N 3.34Å; L398-F400 PolarHBondContact O-N 2.91Å; F400-N402 VanDerWaalsContact C-N 3.34Å; F400-N402 PolarHBondContact O-N 3.11Å; F400-S403 WeakPolarHBondContact O-CA 3.49Å; F400-S403 WeakPolarHBondContact O-CB 3.25Å; F400-S403 PolarHBondContact O-N 3.27Å; F400-S403 PolarHBondContact O-OG 2.97Å; F400-L404 HydrophobicContact CD1-CD1 4.39Å; F400-L404 HydrophobicContact CE1-CD1 3.79Å; F400-L404 HydrophobicContact CE1-CG 4.39Å; F400-L404 HydrophobicContact CE2-CD2 4.19Å; F400-L404 HydrophobicContact CE2-CG 4.41Å; F400-L404 HydrophobicContact CZ-CD1 3.91Å; F400-L404 HydrophobicContact CZ-CD2 4.14Å; F400-L404 HydrophobicContact CZ-CG 4.21Å; F400-L404 PolarHBondContact O-N 3.49Å; F400-L404 VanDerWaalsContact O-N 3.09Å
401L95.3Very high94.8Very high90 Ų9057 Ų5747%0.47132%0.316SS..Hα-helixtrans-59.2-42.9175.9-67.2176.6000112.4S397 L398 S403 L404 A405S397-L401 WeakPolarHBondContact O-CG 3.46Å; S397-L401 PolarHBondContact O-N 2.97Å; L398-L401 PolarHBondContact O-N 3.25Å; L401-S403 VanDerWaalsContact C-N 3.28Å; L401-S403 PolarHBondContact O-N 3.27Å; L401-L404 WeakPolarHBondContact O-CB 3.45Å; L401-L404 PolarHBondContact O-N 3.38Å; L401-L404 VanDerWaalsContact O-N 3.16Å; L401-A405 PolarHBondContact O-N 3.44Å
402N96.5Very high95.1Very high106 Ų10651.9 Ų51.957%0.56728%0.284SS*.Hα-helixtrans-60.4-38.9174.2-75.1-24.6000111.6L398 Q399 F400 L404 A405 M406L398-N402 WeakPolarHBondContact O-CB 3.01Å; L398-N402 VanDerWaalsContact O-CG 3.28Å; L398-N402 PolarHBondContact O-N 2.91Å; L398-N402 PolarHBondContact O-ND2 3.3Å; Q399-N402 PolarHBondContact O-N 3.07Å; F400-N402 VanDerWaalsContact C-N 3.34Å; F400-N402 PolarHBondContact O-N 3.11Å; N402-L404 VanDerWaalsContact C-N 3.31Å; N402-L404 PolarHBondContact O-N 3.43Å; N402-A405 PolarHBondContact O-N 2.63Å; N402-M406 WeakPolarHBondContact O-CG 3.44Å; N402-M406 PolarHBondContact O-N 3.36Å
403S96.3Very high95.2Very high44 Ų4451.9 Ų51.931%0.30829%0.287SS..Hα-helixtrans-63-38176.4870000112.2Q399 F400 L401 M406 R407Q399-S403 PolarHBondContact O-N 3.49Å; F400-S403 WeakPolarHBondContact O-CA 3.49Å; F400-S403 WeakPolarHBondContact O-CB 3.25Å; F400-S403 PolarHBondContact O-N 3.27Å; F400-S403 PolarHBondContact O-OG 2.97Å; L401-S403 VanDerWaalsContact C-N 3.28Å; L401-S403 PolarHBondContact O-N 3.27Å; S403-M406 PolarHBondContact O-N 3.27Å; S403-R407 WeakPolarHBondContact O-CG 3.32Å; S403-R407 PolarHBondContact O-N 3.22Å; S403-R407 VanDerWaalsContact O-N 3.1Å
404L96.6Very high95.3Very high8 Ų853.8 Ų53.84%0.04230%0.295CS..Hα-helixtrans-67.1-43.3175.3-60.6-176.8000110.9L283 I375 F400 L401 N402 M406 R407 A408 I447 V451L283-L404 HydrophobicContact CD1-CD1 4.14Å; L283-L404 HydrophobicContact CD2-CD1 4.14Å; I375-L404 HydrophobicContact CG2-CD2 4.34Å; F400-L404 HydrophobicContact CD1-CD1 4.39Å; F400-L404 HydrophobicContact CE1-CD1 3.79Å; F400-L404 HydrophobicContact CE1-CG 4.39Å; F400-L404 HydrophobicContact CE2-CD2 4.19Å; F400-L404 HydrophobicContact CE2-CG 4.41Å; F400-L404 HydrophobicContact CZ-CD1 3.91Å; F400-L404 HydrophobicContact CZ-CD2 4.14Å; F400-L404 HydrophobicContact CZ-CG 4.21Å; F400-L404 PolarHBondContact O-N 3.49Å; F400-L404 VanDerWaalsContact O-N 3.09Å; L401-L404 WeakPolarHBondContact O-CB 3.45Å; L401-L404 PolarHBondContact O-N 3.38Å; L401-L404 VanDerWaalsContact O-N 3.16Å; N402-L404 VanDerWaalsContact C-N 3.31Å; N402-L404 PolarHBondContact O-N 3.43Å; L404-M406 VanDerWaalsContact C-N 3.32Å; L404-M406 PolarHBondContact O-N 3.41Å; L404-R407 PolarHBondContact O-N 3.39Å; L404-A408 WeakPolarHBondContact O-CB 3.22Å; L404-A408 PolarHBondContact O-N 3.31Å; L404-I447 HydrophobicContact CD1-CG2 4.04Å; L404-I447 HydrophobicContact CD2-CG2 3.89Å; L404-I447 HydrophobicContact CG-CG2 4.49Å; L404-V451 HydrophobicContact CB-CG2 4.35Å
405A96.3Very high95.4Very high30 Ų3051.4 Ų51.425%0.24828%0.281CS..Hα-helixtrans-60.8-39.6176.200000112.1L401 N402 A408 L409 M455L401-A405 PolarHBondContact O-N 3.44Å; N402-A405 PolarHBondContact O-N 2.63Å; A405-A408 WeakPolarHBondContact O-CB 3.33Å; A405-A408 PolarHBondContact O-N 2.88Å; A405-L409 WeakPolarHBondContact O-CB 3.33Å; A405-L409 PolarHBondContact O-N 2.89Å; A405-M455 HydrophobicContact CB-SD 4.23Å
406M96.6Very high95.4Very high122 Ų12253.4 Ų53.460%0.60128%0.276SS*.Hα-helixtrans-66.9-39176-70.4-54.9-60.900112.6N402 S403 L404 A408 L409 A410N402-M406 WeakPolarHBondContact O-CG 3.44Å; N402-M406 PolarHBondContact O-N 3.36Å; S403-M406 PolarHBondContact O-N 3.27Å; L404-M406 VanDerWaalsContact C-N 3.32Å; L404-M406 PolarHBondContact O-N 3.41Å; M406-A408 VanDerWaalsContact C-N 3.35Å; M406-L409 HydrophobicContact CE-CD2 4.45Å; M406-L409 PolarHBondContact O-N 2.92Å; M406-A410 WeakPolarHBondContact O-CB 3.42Å; M406-A410 PolarHBondContact O-N 2.89Å
407R95.7Very high95.3Very high104 Ų10456.9 Ų56.939%0.39230%0.3SS..Hα-helixtrans-63.7-42.1173.3-71.9174.9179.3-148.7-3.1111.6I375 S403 L404 A410 L411 D444I375-R407 VanDerWaalsContact CD1-NH1 3.29Å; S403-R407 WeakPolarHBondContact O-CG 3.32Å; S403-R407 PolarHBondContact O-N 3.22Å; S403-R407 VanDerWaalsContact O-N 3.1Å; L404-R407 PolarHBondContact O-N 3.39Å; R407-A410 PolarHBondContact O-N 2.82Å; R407-L411 WeakPolarHBondContact O-CB 3.49Å; R407-L411 PolarHBondContact O-N 2.94Å; R407-D444 IonicContact NH1-OD2 3.34Å
408A96.5Very high95.3Very high1 Ų158.5 Ų58.51%0.00831%0.306CS..Hα-helixtrans-61.9-43.6175.400000112.3L404 A405 M406 L411 D412 V451 A452 M455L404-A408 WeakPolarHBondContact O-CB 3.22Å; L404-A408 PolarHBondContact O-N 3.31Å; A405-A408 WeakPolarHBondContact O-CB 3.33Å; A405-A408 PolarHBondContact O-N 2.88Å; M406-A408 VanDerWaalsContact C-N 3.35Å; A408-L411 WeakPolarHBondContact O-CB 3.42Å; A408-L411 PolarHBondContact O-N 3.32Å; A408-D412 PolarHBondContact O-N 3.46Å; A408-V451 HydrophobicContact CB-CB 3.98Å; A408-V451 HydrophobicContact CB-CG1 3.63Å; A408-A452 HydrophobicContact CB-CB 3.78Å; A408-M455 HydrophobicContact CB-SD 3.88Å
409L96.5Very high95.2Very high74 Ų7454 Ų5439%0.38728%0.282SS..Hα-helixtrans-63.4-44.2174.6-179.762.2000111.9A405 M406 L411 D412 V413A405-L409 WeakPolarHBondContact O-CB 3.33Å; A405-L409 PolarHBondContact O-N 2.89Å; M406-L409 HydrophobicContact CE-CD2 4.45Å; M406-L409 PolarHBondContact O-N 2.92Å; L409-L411 PolarHBondContact O-N 3.44Å; L409-D412 PolarHBondContact O-N 3.18Å; L409-V413 HydrophobicContact CD1-CG2 4.27Å; L409-V413 HydrophobicContact CG-CG2 4.48Å; L409-V413 WeakPolarHBondContact O-CG2 3.46Å; L409-V413 PolarHBondContact O-N 2.72Å
410A96.5Very high94.9Very high44 Ų4454 Ų5436%0.36429%0.286SS..Hα-helixtrans-59.6-38.517600000111.7M406 R407 Y414 L437M406-A410 WeakPolarHBondContact O-CB 3.42Å; M406-A410 PolarHBondContact O-N 2.89Å; R407-A410 PolarHBondContact O-N 2.82Å; A410-Y414 VanDerWaalsContact O-CB 3.28Å; A410-Y414 WeakPolarHBondContact O-CB 3.33Å; A410-Y414 PolarHBondContact O-N 3.4Å; A410-L437 HydrophobicContact CB-CD2 4.13Å
411L95.9Very high94.5Very high1 Ų157.8 Ų57.81%0.00530%0.304CS..Hα-helixtrans-65-46175.3-174.7158.5000112.3R407 A408 L409 Y414 A415 I433 L437 A448 I449 A452 L459 L463R407-L411 WeakPolarHBondContact O-CB 3.49Å; R407-L411 PolarHBondContact O-N 2.94Å; A408-L411 WeakPolarHBondContact O-CB 3.42Å; A408-L411 PolarHBondContact O-N 3.32Å; L409-L411 PolarHBondContact O-N 3.44Å; L411-Y414 PolarHBondContact O-N 2.9Å; L411-A415 WeakPolarHBondContact O-CB 3.27Å; L411-A415 PolarHBondContact O-N 3.01Å; L411-I433 HydrophobicContact CD1-CG2 4.15Å; L411-I433 HydrophobicContact CG-CG2 4.24Å; L411-L437 HydrophobicContact CB-CD1 3.63Å; L411-L437 HydrophobicContact CD1-CD1 4.19Å; L411-L437 HydrophobicContact CG-CD1 3.93Å; L411-A448 HydrophobicContact CD1-CB 4.02Å; L411-I449 HydrophobicContact CD1-CD1 3.61Å; L411-I449 HydrophobicContact CD1-CG1 4.13Å; L411-I449 HydrophobicContact CD2-CD1 4.09Å; L411-I449 HydrophobicContact CG-CD1 4.43Å; L411-A452 HydrophobicContact CD2-CB 4.04Å; L411-L459 HydrophobicContact CD2-CD2 4.17Å; L411-L463 HydrophobicContact CD2-CD1 3.37Å
412D94.5Very high94.1Very high17 Ų1754.2 Ų54.29%0.09129%0.289CS..Hα-helixtrans-61.5-44.5175.5174.666.1000112.3A408 L409 A415 R416 R456 L459A408-D412 PolarHBondContact O-N 3.46Å; L409-D412 PolarHBondContact O-N 3.18Å; D412-A415 PolarHBondContact O-N 3.18Å; D412-R416 PolarHBondContact O-N 2.99Å; D412-R416 IonicContact OD1-NE 3.64Å; D412-R416 IonicContact OD2-CZ 3.72Å; D412-R416 IonicContact OD2-NE 3.6Å; D412-R416 PolarHBondContact OD2-NE 2.92Å; D412-R416 IonicContact OD2-NH2 3.91Å; D412-R416 PolarHBondContact OD2-NH2 3.29Å; D412-R456 WeakPolarHBondContact OD1-CD 3.45Å; D412-R456 IonicContact OD1-CZ 3.6Å; D412-R456 IonicContact OD1-NE 2.92Å; D412-R456 IonicContact OD1-NH1 3.94Å; D412-R456 PolarHBondContact OD1-NH1 2.86Å; D412-R456 IonicContact OD2-NH1 2.63Å; D412-L459 HydrophobicContact CB-CD2 4.15Å
413V94.4Very high93.7Very high63 Ų6353 Ų5338%0.38229%0.293SS..Hα-helixtrans-63.8-45.9177.1172.70000110.9L409 A415 R416 V417L409-V413 HydrophobicContact CD1-CG2 4.27Å; L409-V413 HydrophobicContact CG-CG2 4.48Å; L409-V413 WeakPolarHBondContact O-CG2 3.46Å; L409-V413 PolarHBondContact O-N 2.72Å; V413-A415 VanDerWaalsContact C-N 3.31Å; V413-A415 PolarHBondContact O-N 2.98Å; V413-R416 PolarHBondContact O-N 2.97Å; V413-V417 HydrophobicContact CG1-CG2 4.37Å; V413-V417 WeakPolarHBondContact O-CG2 3.34Å; V413-V417 PolarHBondContact O-N 2.89Å
414Y95Very high93.2Very high42 Ų4253.9 Ų53.917%0.16530%0.295CS..Hα-helixtrans-57.9-45.7175.5176.2-104.8000111.3A410 L411 R416 V417 E418 L428 I433 A436A410-Y414 VanDerWaalsContact O-CB 3.28Å; A410-Y414 WeakPolarHBondContact O-CB 3.33Å; A410-Y414 PolarHBondContact O-N 3.4Å; L411-Y414 PolarHBondContact O-N 2.9Å; Y414-R416 VanDerWaalsContact C-N 3.34Å; Y414-R416 PolarHBondContact O-N 3.39Å; Y414-V417 PolarHBondContact O-N 3.39Å; Y414-E418 HydrophobicContact CE1-CB 4.42Å; Y414-E418 HydrophobicContact CE1-CG 4.43Å; Y414-E418 HydrophobicContact CE2-CB 4.21Å; Y414-E418 HydrophobicContact CE2-CG 4.36Å; Y414-E418 VanDerWaalsContact CE2-OE2 3.28Å; Y414-E418 WeakPolarHBondContact CE2-OE2 3.45Å; Y414-E418 WeakPolarHBondContact O-CB 3.25Å; Y414-E418 PolarHBondContact O-N 3.35Å; Y414-E418 PolarHBondContact OH-OE2 2.97Å; Y414-L428 HydrophobicContact CE1-CD2 4.26Å; Y414-I433 HydrophobicContact CD1-CG1 4.11Å; Y414-I433 HydrophobicContact CE1-CB 4.42Å; Y414-I433 HydrophobicContact CE1-CG1 3.85Å; Y414-A436 HydrophobicContact CD1-CB 4.37Å; Y414-A436 HydrophobicContact CD2-CB 3.79Å; Y414-A436 HydrophobicContact CE1-CB 4.03Å; Y414-A436 HydrophobicContact CE2-CB 3.43Å; Y414-A436 VanDerWaalsContact CE2-CB 3.43Å; Y414-A436 HydrophobicContact CG-CB 4.27Å
415A93.2Very high92.7Very high2 Ų258 Ų582%0.01731%0.31CS..Hα-helixtrans-58.7-44.817900000112.5L411 D412 V413 S419 L428 L463L411-A415 WeakPolarHBondContact O-CB 3.27Å; L411-A415 PolarHBondContact O-N 3.01Å; D412-A415 PolarHBondContact O-N 3.18Å; V413-A415 VanDerWaalsContact C-N 3.31Å; V413-A415 PolarHBondContact O-N 2.98Å; A415-S419 WeakPolarHBondContact O-CB 3.47Å; A415-S419 PolarHBondContact O-N 2.84Å; A415-S419 VanDerWaalsContact O-N 3.15Å; A415-S419 PolarHBondContact O-OG 3.22Å; A415-L428 HydrophobicContact CB-CD2 4.5Å; A415-L463 HydrophobicContact CB-CD2 3.67Å
416R92.3Very high92.2Very high78 Ų7859.6 Ų59.629%0.29432%0.319SS..Hα-helixtrans-64.2-49.9177.4-80.1-173-80.9155-4.1112.7D412 V413 Y414 S419 D420 E421D412-R416 PolarHBondContact O-N 2.99Å; D412-R416 IonicContact OD1-NE 3.64Å; D412-R416 IonicContact OD2-CZ 3.72Å; D412-R416 IonicContact OD2-NE 3.6Å; D412-R416 PolarHBondContact OD2-NE 2.92Å; D412-R416 IonicContact OD2-NH2 3.91Å; D412-R416 PolarHBondContact OD2-NH2 3.29Å; V413-R416 PolarHBondContact O-N 2.97Å; Y414-R416 VanDerWaalsContact C-N 3.34Å; Y414-R416 PolarHBondContact O-N 3.39Å; R416-S419 PolarHBondContact O-N 3.31Å; R416-S419 PolarHBondContact O-OG 3.43Å; R416-D420 PolarHBondContact O-N 2.83Å; R416-D420 VanDerWaalsContact O-N 3.09Å; R416-E421 WeakPolarHBondContact CB-OE2 3.47Å; R416-E421 WeakPolarHBondContact CD-OE2 3.46Å; R416-E421 VanDerWaalsContact CG-OE2 3.27Å; R416-E421 WeakPolarHBondContact CG-OE2 3.33Å; R416-E421 PolarHBondContact O-N 3.28Å
417V93.4Very high91.7Very high106 Ų10659.7 Ų59.764%0.64232%0.316SS*.Hα-helixtrans-63.8-46.4-178.3172.90000111.3V413 Y414 S419 D420V413-V417 HydrophobicContact CG1-CG2 4.37Å; V413-V417 WeakPolarHBondContact O-CG2 3.34Å; V413-V417 PolarHBondContact O-N 2.89Å; Y414-V417 PolarHBondContact O-N 3.39Å; V417-S419 PolarHBondContact O-N 3.28Å; V417-D420 PolarHBondContact O-N 2.78Å
418E93Very high91.4Very high54 Ų5455.9 Ų55.925%0.25230%0.303SS..Hα-helixtrans-69.3-22.6-177.4-168.570.8-126.800112.3Y414 K427 L428Y414-E418 HydrophobicContact CE1-CB 4.42Å; Y414-E418 HydrophobicContact CE1-CG 4.43Å; Y414-E418 HydrophobicContact CE2-CB 4.21Å; Y414-E418 HydrophobicContact CE2-CG 4.36Å; Y414-E418 VanDerWaalsContact CE2-OE2 3.28Å; Y414-E418 WeakPolarHBondContact CE2-OE2 3.45Å; Y414-E418 WeakPolarHBondContact O-CB 3.25Å; Y414-E418 PolarHBondContact O-N 3.35Å; Y414-E418 PolarHBondContact OH-OE2 2.97Å; E418-K427 HydrophobicContact CG-CB 3.69Å; E418-K427 HydrophobicContact CG-CD 4.48Å; E418-K427 WeakPolarHBondContact OE1-CB 3.34Å; E418-K427 WeakPolarHBondContact OE1-CD 3.11Å; E418-L428 HydrophobicContact CB-CD2 3.85Å; E418-L428 HydrophobicContact CG-CD2 3.95Å
419S91.7Very high91Very high1 Ų158.4 Ų58.41%0.00732%0.321CS..THydrogen-bonded Turntrans-100.83.7178.5680000116.1A415 R416 V417 G422 A423 D424 Y462A415-S419 WeakPolarHBondContact O-CB 3.47Å; A415-S419 PolarHBondContact O-N 2.84Å; A415-S419 VanDerWaalsContact O-N 3.15Å; A415-S419 PolarHBondContact O-OG 3.22Å; R416-S419 PolarHBondContact O-N 3.31Å; R416-S419 PolarHBondContact O-OG 3.43Å; V417-S419 PolarHBondContact O-N 3.28Å; S419-G422 CarbonylContact O-C 3.49Å; S419-G422 PolarHBondContact O-N 2.9Å; S419-G422 PolarHBondContact OG-N 2.87Å; S419-G422 VanDerWaalsContact OG-N 3.12Å; S419-A423 PolarHBondContact O-N 2.85Å; S419-D424 WeakPolarHBondContact CA-O 3.44Å; S419-D424 PolarHBondContact O-N 3.24Å; S419-Y462 WeakPolarHBondContact CB-OH 3.34Å; S419-Y462 PolarHBondContact OG-OH 2.92Å
420D90.3Very high90.7Very high126 Ų12658.7 Ų58.767%0.67432%0.32SS*.THydrogen-bonded Turntrans51.856.9-172.3-165.934.3000111.5R416 V417 G422 A423R416-D420 PolarHBondContact O-N 2.83Å; R416-D420 VanDerWaalsContact O-N 3.09Å; V417-D420 PolarHBondContact O-N 2.78Å; D420-G422 PolarHBondContact O-N 3.18Å; D420-G422 VanDerWaalsContact O-N 3.08Å; D420-A423 HydrophobicContact CB-CB 4.25Å; D420-A423 WeakPolarHBondContact O-CB 3.48Å; D420-A423 PolarHBondContact O-N 2.77Å; D420-A423 VanDerWaalsContact O-N 3.16Å
421E88.7Confident90.4Very high101 Ų10163.8 Ų63.847%0.47233%0.334SS..THydrogen-bonded Turntrans56.924.9-177.5-62.1-64.2164.500114.5R416R416-E421 WeakPolarHBondContact CB-OE2 3.47Å; R416-E421 WeakPolarHBondContact CD-OE2 3.46Å; R416-E421 VanDerWaalsContact CG-OE2 3.27Å; R416-E421 WeakPolarHBondContact CG-OE2 3.33Å; R416-E421 PolarHBondContact O-N 3.28Å
422G86.1Confident90.2Very high15 Ų1564.8 Ų64.816%0.15534%0.342CS..THydrogen-bonded Turntrans109.6-10.1177.400000115.1S419 D420 D424S419-G422 CarbonylContact O-C 3.49Å; S419-G422 PolarHBondContact O-N 2.9Å; S419-G422 PolarHBondContact OG-N 2.87Å; S419-G422 VanDerWaalsContact OG-N 3.12Å; D420-G422 PolarHBondContact O-N 3.18Å; D420-G422 VanDerWaalsContact O-N 3.08Å; G422-D424 PolarHBondContact O-N 3.36Å
423A88Confident90.2Very high79 Ų7964.1 Ų64.165%0.65334%0.338SS*.THydrogen-bonded Turntrans-63.8-38-177.100000113.6S419 D420S419-A423 PolarHBondContact O-N 2.85Å; D420-A423 HydrophobicContact CB-CB 4.25Å; D420-A423 WeakPolarHBondContact O-CB 3.48Å; D420-A423 PolarHBondContact O-N 2.77Å; D420-A423 VanDerWaalsContact O-N 3.16Å
424D86.8Confident90.2Very high63 Ų6362.4 Ų62.434%0.33733%0.328SS..  trans-137.8107.2175.1-17824.2000113.7S419 G422 S426 R467S419-D424 WeakPolarHBondContact CA-O 3.44Å; S419-D424 PolarHBondContact O-N 3.24Å; G422-D424 PolarHBondContact O-N 3.36Å; D424-S426 PolarHBondContact O-N 2.8Å; D424-S426 VanDerWaalsContact OD1-CA 3.29Å; D424-S426 WeakPolarHBondContact OD1-CA 3.44Å; D424-S426 WeakPolarHBondContact OD1-CB 3.3Å; D424-S426 PolarHBondContact OD1-N 2.94Å; D424-S426 PolarHBondContact OD1-OG 2.91Å; D424-S426 WeakPolarHBondContact OD2-CB 3.36Å; D424-S426 PolarHBondContact OD2-OG 2.98Å; D424-R467 IonicContact OD1-NH2 3.07Å; D424-R467 PolarHBondContact OD1-NH2 3.03Å
425R86.2Confident90.1Very high94 Ų9469.6 Ų69.636%0.35536%0.355SS..G310 helixtrans-76.59.9174.5-50.4-173.9-162.6-178.51.2114.2K427 L428 Y462R425-K427 PolarHBondContact O-N 2.66Å; R425-K427 VanDerWaalsContact O-N 3.07Å; R425-L428 HydrophobicContact CB-CD1 4.41Å; R425-L428 PolarHBondContact O-N 3.34Å; R425-Y462 HydrophobicContact CG-CE2 4.19Å; R425-Y462 VanDerWaalsContact NH1-CD2 3.27Å; R425-Y462 VanDerWaalsContact NH2-CD2 3.31Å
426S85.3Confident90.2Very high64 Ų6472.1 Ų72.145%0.44838%0.376SS..G310 helixtrans-13.3-66.7169.8116.90000116.5D424D424-S426 PolarHBondContact O-N 2.8Å; D424-S426 VanDerWaalsContact OD1-CA 3.29Å; D424-S426 WeakPolarHBondContact OD1-CA 3.44Å; D424-S426 WeakPolarHBondContact OD1-CB 3.3Å; D424-S426 PolarHBondContact OD1-N 2.94Å; D424-S426 PolarHBondContact OD1-OG 2.91Å; D424-S426 WeakPolarHBondContact OD2-CB 3.36Å; D424-S426 PolarHBondContact OD2-OG 2.98Å
427K85.3Confident90.3Very high124 Ų12470.6 Ų70.654%0.53937%0.374SS..G310 helixtrans-108.3-3.3-155.7-55.6171.4-167.9167.70110.2E418 R425 S429 S432E418-K427 HydrophobicContact CG-CB 3.69Å; E418-K427 HydrophobicContact CG-CD 4.48Å; E418-K427 WeakPolarHBondContact OE1-CB 3.34Å; E418-K427 WeakPolarHBondContact OE1-CD 3.11Å; R425-K427 PolarHBondContact O-N 2.66Å; R425-K427 VanDerWaalsContact O-N 3.07Å; K427-S429 PolarHBondContact O-N 2.67Å; K427-S432 WeakPolarHBondContact O-CB 3.43Å; K427-S432 PolarHBondContact O-OG 3.12Å
428L89.4Confident90.3Very high24 Ų2470.9 Ų70.913%0.12637%0.372CS..  trans-80.8114.9175.9-64.9-178.7000110.1Y414 A415 E418 R425 Y462 L463Y414-L428 HydrophobicContact CE1-CD2 4.26Å; A415-L428 HydrophobicContact CB-CD2 4.5Å; E418-L428 HydrophobicContact CB-CD2 3.85Å; E418-L428 HydrophobicContact CG-CD2 3.95Å; R425-L428 HydrophobicContact CB-CD1 4.41Å; R425-L428 PolarHBondContact O-N 3.34Å; L428-Y462 HydrophobicContact CD1-CE1 3.55Å; L428-L463 HydrophobicContact CD1-CD2 4.09Å
429S88.7Confident90.3Very high54 Ų5469.2 Ų69.238%0.37836%0.364SS..  trans-147.3155.4172.770.30000108.7K427 K431 S432 I433K427-S429 PolarHBondContact O-N 2.67Å; S429-K431 PolarHBondContact O-N 3.47Å; S429-K431 VanDerWaalsContact O-N 3.13Å; S429-S432 PolarHBondContact N-OG 3.14Å; S429-S432 PolarHBondContact O-N 3.41Å; S429-S432 PolarHBondContact O-OG 3.38Å; S429-S432 PolarHBondContact OG-N 3.18Å; S429-S432 PolarHBondContact OG-OG 3.16Å; S429-I433 WeakPolarHBondContact O-CG1 3.3Å; S429-I433 PolarHBondContact O-N 3.25Å
430E90.1Very high90.3Very high80 Ų8077.1 Ų77.137%0.37440%0.398SS..Hα-helixtrans-49.4-41.1172180177.1160.300111.1C434 F445E430-C434 WeakPolarHBondContact O-CB 3.46Å; E430-C434 PolarHBondContact O-N 2.97Å; E430-C434 PolarHBondContact O-SG 2.75Å; E430-F445 HydrophobicContact CB-CZ 4.19Å; E430-F445 HydrophobicContact CG-CD1 4.32Å; E430-F445 HydrophobicContact CG-CE1 3.85Å; E430-F445 HydrophobicContact CG-CE2 4.16Å; E430-F445 HydrophobicContact CG-CZ 3.75Å
431K90.8Very high90.4Very high151 Ų15174.2 Ų74.266%0.65738%0.383SS*.Hα-helixtrans-69.1-34.7179.5-67.1-175.8-179.4179.10114.2S429 R435S429-K431 PolarHBondContact O-N 3.47Å; S429-K431 VanDerWaalsContact O-N 3.13Å; K431-R435 WeakPolarHBondContact O-CB 3.24Å; K431-R435 WeakPolarHBondContact O-CG 3.25Å; K431-R435 PolarHBondContact O-N 3.18Å; K431-R435 PolarHBondContact O-NE 3.23Å; K431-R435 VanDerWaalsContact O-NE 3.14Å
432S92.2Very high90.4Very high23 Ų2375.5 Ų75.516%0.16139%0.386CS..Hα-helixtrans-77-41.8178.349.10000110.7K427 S429 R435 A436K427-S432 WeakPolarHBondContact O-CB 3.43Å; K427-S432 PolarHBondContact O-OG 3.12Å; S429-S432 PolarHBondContact N-OG 3.14Å; S429-S432 PolarHBondContact O-N 3.41Å; S429-S432 PolarHBondContact O-OG 3.38Å; S429-S432 PolarHBondContact OG-N 3.18Å; S429-S432 PolarHBondContact OG-OG 3.16Å; S432-R435 PolarHBondContact O-N 3.19Å; S432-A436 WeakPolarHBondContact O-CB 3.44Å; S432-A436 PolarHBondContact O-N 3.29Å
433I93.4Very high90.7Very high2 Ų274.9 Ų74.91%0.0138%0.381CS..Hα-helixtrans-59.4-51.5174.9-63.8166.8000110.6L411 Y414 S429 R435 A436 L437 F445 L463L411-I433 HydrophobicContact CD1-CG2 4.15Å; L411-I433 HydrophobicContact CG-CG2 4.24Å; Y414-I433 HydrophobicContact CD1-CG1 4.11Å; Y414-I433 HydrophobicContact CE1-CB 4.42Å; Y414-I433 HydrophobicContact CE1-CG1 3.85Å; S429-I433 WeakPolarHBondContact O-CG1 3.3Å; S429-I433 PolarHBondContact O-N 3.25Å; I433-R435 VanDerWaalsContact C-N 3.27Å; I433-R435 PolarHBondContact O-N 3.23Å; I433-A436 PolarHBondContact O-N 2.82Å; I433-L437 HydrophobicContact CG2-CD1 3.76Å; I433-L437 WeakPolarHBondContact O-CB 3.32Å; I433-L437 WeakPolarHBondContact O-CG 3.47Å; I433-L437 PolarHBondContact O-N 3.08Å; I433-F445 HydrophobicContact CB-CE2 4.45Å; I433-F445 HydrophobicContact CG2-CE2 4.08Å; I433-L463 HydrophobicContact CD1-CD2 4.22Å
434C93.7Very high90.9Very high27 Ų2772 Ų7218%0.18235%0.354CS..Hα-helixtrans-60.2-37.8-179.9-71.60000112.6E430 D438 I439 F445E430-C434 WeakPolarHBondContact O-CB 3.46Å; E430-C434 PolarHBondContact O-N 2.97Å; E430-C434 PolarHBondContact O-SG 2.75Å; C434-D438 PolarHBondContact O-N 2.81Å; C434-I439 HydrophobicContact CB-CB 4.37Å; C434-I439 WeakPolarHBondContact CB-O 3.29Å; C434-I439 PolarHBondContact O-N 3.16Å; C434-F445 WeakPolarHBondContact SG-CD2 3.31Å
435R94.3Very high91.2Very high194 Ų19469.1 Ų69.173%0.73234%0.339SS*.Hα-helixtrans-68.6-45.8176.3-81.1-175.8-108.1175.4-9112.5K431 S432 I433 L437K431-R435 WeakPolarHBondContact O-CB 3.24Å; K431-R435 WeakPolarHBondContact O-CG 3.25Å; K431-R435 PolarHBondContact O-N 3.18Å; K431-R435 PolarHBondContact O-NE 3.23Å; K431-R435 VanDerWaalsContact O-NE 3.14Å; S432-R435 PolarHBondContact O-N 3.19Å; I433-R435 VanDerWaalsContact C-N 3.27Å; I433-R435 PolarHBondContact O-N 3.23Å; R435-L437 VanDerWaalsContact C-N 3.28Å; R435-L437 PolarHBondContact O-N 3.16Å
436A94.1Very high91.5Very high55 Ų5566.5 Ų66.546%0.45533%0.329SS..Hα-helixtrans-65.9-32.5-177.400000112.5Y414 S432 I433Y414-A436 HydrophobicContact CD1-CB 4.37Å; Y414-A436 HydrophobicContact CD2-CB 3.79Å; Y414-A436 HydrophobicContact CE1-CB 4.03Å; Y414-A436 HydrophobicContact CE2-CB 3.43Å; Y414-A436 VanDerWaalsContact CE2-CB 3.43Å; Y414-A436 HydrophobicContact CG-CB 4.27Å; S432-A436 WeakPolarHBondContact O-CB 3.44Å; S432-A436 PolarHBondContact O-N 3.29Å; I433-A436 PolarHBondContact O-N 2.82Å
437L94.6Very high92Very high46 Ų4663.5 Ų63.524%0.24131%0.308CS..THydrogen-bonded Turntrans-103.29.9-175.1-58.3178.4000114A410 L411 I433 R435 I439A410-L437 HydrophobicContact CB-CD2 4.13Å; L411-L437 HydrophobicContact CB-CD1 3.63Å; L411-L437 HydrophobicContact CD1-CD1 4.19Å; L411-L437 HydrophobicContact CG-CD1 3.93Å; I433-L437 HydrophobicContact CG2-CD1 3.76Å; I433-L437 WeakPolarHBondContact O-CB 3.32Å; I433-L437 WeakPolarHBondContact O-CG 3.47Å; I433-L437 PolarHBondContact O-N 3.08Å; R435-L437 VanDerWaalsContact C-N 3.28Å; R435-L437 PolarHBondContact O-N 3.16Å; L437-I439 HydrophobicContact CB-CD1 3.82Å; L437-I439 HydrophobicContact CB-CG1 3.82Å; L437-I439 HydrophobicContact CD1-CD1 4.02Å; L437-I439 PolarHBondContact O-N 3.03Å
438D94.5Very high92.5Very high112 Ų11257.9 Ų57.960%0.59928%0.284SS*.THydrogen-bonded Turntrans48.937.8-174.2-16436.6000113.6C434 K440C434-D438 PolarHBondContact O-N 2.81Å; D438-K440 PolarHBondContact O-N 3.4Å; D438-K440 WeakPolarHBondContact OD1-CE 3.28Å; D438-K440 IonicContact OD1-NZ 2.62Å; D438-K440 IonicContact OD2-NZ 3.04Å
439I93.3Very high92.7Very high19 Ų1956.8 Ų56.810%0.09728%0.278CS..  trans-87.6105.8177.3-57.4171.9000108.4C434 L437 L441 D444 F445 A448C434-I439 HydrophobicContact CB-CB 4.37Å; C434-I439 WeakPolarHBondContact CB-O 3.29Å; C434-I439 PolarHBondContact O-N 3.16Å; L437-I439 HydrophobicContact CB-CD1 3.82Å; L437-I439 HydrophobicContact CB-CG1 3.82Å; L437-I439 HydrophobicContact CD1-CD1 4.02Å; L437-I439 PolarHBondContact O-N 3.03Å; I439-L441 WeakPolarHBondContact CG2-O 3.45Å; I439-D444 HydrophobicContact CG2-CB 3.85Å; I439-F445 HydrophobicContact CG2-CB 3.87Å; I439-A448 HydrophobicContact CD1-CB 4.25Å
440K91Very high93Very high166 Ų16654.2 Ų54.272%0.72226%0.26SS*.  trans-91.3-35.4-176.3-62.1176.5-171.2167.30113D438D438-K440 PolarHBondContact O-N 3.4Å; D438-K440 WeakPolarHBondContact OD1-CE 3.28Å; D438-K440 IonicContact OD1-NZ 2.62Å; D438-K440 IonicContact OD2-NZ 3.04Å
441L91.2Very high93.3Very high66 Ų6651.6 Ų51.635%0.34625%0.25SS..SBendtrans-96.4142.1-174.3-58.6178.4000110.7D373 I439 D444 F445D373-L441 HydrophobicContact CB-CB 4.27Å; I439-L441 WeakPolarHBondContact CG2-O 3.45Å; L441-D444 HydrophobicContact CB-CB 4.2Å; L441-D444 PolarHBondContact O-N 2.87Å; L441-F445 PolarHBondContact O-N 3.17Å
442K89.9Confident93.6Very high127 Ų12744.5 Ų44.555%0.55222%0.22SC*.Hα-helixtrans-68.8-38-178.5-172175-179178.40112.2D444 F445 W446K442-D444 VanDerWaalsContact C-N 3.33Å; K442-F445 WeakPolarHBondContact O-CB 3.17Å; K442-F445 PolarHBondContact O-N 3.24Å; K442-W446 PolarHBondContact O-N 2.67Å
443G91.3Very high93.7Very high3 Ų344.1 Ų44.13%0.03122%0.216CC..Hα-helixtrans-64.3-39.4176.400000111.9D373 F445 W446 I447D373-G443 WeakPolarHBondContact O-CA 3.43Å; D373-G443 PolarHBondContact O-N 3.27Å; G443-F445 VanDerWaalsContact C-N 3.3Å; G443-F445 PolarHBondContact O-N 3.1Å; G443-W446 PolarHBondContact O-N 3.1Å; G443-W446 VanDerWaalsContact O-N 3.15Å; G443-I447 VanDerWaalsContact O-CG1 3.32Å; G443-I447 WeakPolarHBondContact O-CG1 3.45Å; G443-I447 PolarHBondContact O-N 2.67Å
444D93.3Very high93.6Very high19 Ų1949.2 Ų49.210%0.10224%0.242CC..Hα-helixtrans-59.5-40.4174.5-76.611.1000112.4S374 I375 R407 I439 L441 K442 I447 A448S374-D444 WeakPolarHBondContact CA-OD1 3.4Å; I375-D444 WeakPolarHBondContact CB-OD1 3.34Å; I375-D444 PolarHBondContact N-OD1 3.06Å; R407-D444 IonicContact NH1-OD2 3.34Å; I439-D444 HydrophobicContact CG2-CB 3.85Å; L441-D444 HydrophobicContact CB-CB 4.2Å; L441-D444 PolarHBondContact O-N 2.87Å; K442-D444 VanDerWaalsContact C-N 3.33Å; D444-I447 PolarHBondContact O-N 2.98Å; D444-A448 WeakPolarHBondContact O-CB 3.5Å; D444-A448 PolarHBondContact O-N 2.76Å
445F93.3Very high93.5Very high1 Ų153 Ų530%0.00426%0.259CS..Hα-helixtrans-60.1-47.3174.5173.7-102.3000111.4E430 I433 C434 I439 L441 K442 G443 A448 I449 L464E430-F445 HydrophobicContact CB-CZ 4.19Å; E430-F445 HydrophobicContact CG-CD1 4.32Å; E430-F445 HydrophobicContact CG-CE1 3.85Å; E430-F445 HydrophobicContact CG-CE2 4.16Å; E430-F445 HydrophobicContact CG-CZ 3.75Å; I433-F445 HydrophobicContact CB-CE2 4.45Å; I433-F445 HydrophobicContact CG2-CE2 4.08Å; C434-F445 WeakPolarHBondContact SG-CD2 3.31Å; I439-F445 HydrophobicContact CG2-CB 3.87Å; L441-F445 PolarHBondContact O-N 3.17Å; K442-F445 WeakPolarHBondContact O-CB 3.17Å; K442-F445 PolarHBondContact O-N 3.24Å; G443-F445 VanDerWaalsContact C-N 3.3Å; G443-F445 PolarHBondContact O-N 3.1Å; F445-A448 PolarHBondContact O-N 3.47Å; F445-I449 HydrophobicContact CD1-CG1 4.43Å; F445-I449 HydrophobicContact CD2-CG1 4.24Å; F445-I449 HydrophobicContact CE1-CG1 4.02Å; F445-I449 HydrophobicContact CE2-CD1 4.04Å; F445-I449 HydrophobicContact CE2-CG1 3.81Å; F445-I449 HydrophobicContact CZ-CD1 4.01Å; F445-I449 HydrophobicContact CZ-CG1 3.69Å; F445-I449 VanDerWaalsContact O-CG1 3.31Å; F445-I449 WeakPolarHBondContact O-CG1 3.32Å; F445-I449 PolarHBondContact O-N 2.73Å; F445-L464 HydrophobicContact CE1-CD2 4.28Å; F445-L464 HydrophobicContact CZ-CD2 4.05Å
446W92.7Very high93.3Very high39 Ų3948.8 Ų48.815%0.14824%0.243CC..Hα-helixtrans-67-37.7179.2-70.3112.4000113Q284 W334 K442 G443 I449 A450 L464Q284-W446 HydrophobicContact CB-CB 4.28Å; Q284-W446 HydrophobicContact CG-CB 3.97Å; W334-W446 HydrophobicContact CB-CZ3 4.06Å; K442-W446 PolarHBondContact O-N 2.67Å; G443-W446 PolarHBondContact O-N 3.1Å; G443-W446 VanDerWaalsContact O-N 3.15Å; W446-I449 PolarHBondContact O-N 2.92Å; W446-A450 VanDerWaalsContact O-CB 3.24Å; W446-A450 WeakPolarHBondContact O-CB 3.4Å; W446-A450 PolarHBondContact O-N 2.77Å; W446-L464 HydrophobicContact CH2-CD1 4.05Å; W446-L464 HydrophobicContact CZ3-CD1 3.57Å
447I94.9Very high93Very high2 Ų250.8 Ų50.81%0.0125%0.251CS..Hα-helixtrans-61.2-47.2172.8-66.3171.4000110L283 Q284 I375 V376 L404 G443 D444 I449 A450 V451L283-I447 HydrophobicContact CB-CD1 4.08Å; L283-I447 HydrophobicContact CB-CG1 3.82Å; L283-I447 HydrophobicContact CB-CG2 4.18Å; L283-I447 HydrophobicContact CD1-CD1 4.31Å; Q284-I447 HydrophobicContact CG-CD1 4.35Å; Q284-I447 HydrophobicContact CG-CG1 3.62Å; I375-I447 HydrophobicContact CG2-CD1 4.34Å; V376-I447 HydrophobicContact CG2-CD1 4.4Å; L404-I447 HydrophobicContact CD1-CG2 4.04Å; L404-I447 HydrophobicContact CD2-CG2 3.89Å; L404-I447 HydrophobicContact CG-CG2 4.49Å; G443-I447 VanDerWaalsContact O-CG1 3.32Å; G443-I447 WeakPolarHBondContact O-CG1 3.45Å; G443-I447 PolarHBondContact O-N 2.67Å; D444-I447 PolarHBondContact O-N 2.98Å; I447-I449 PolarHBondContact O-N 3.46Å; I447-A450 PolarHBondContact O-N 3.34Å; I447-V451 HydrophobicContact CG2-CG2 4.33Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.5Å; I447-V451 PolarHBondContact O-N 2.75Å
448A95.1Very high92.7Very high5 Ų554.5 Ų54.54%0.04127%0.266CS..Hα-helixtrans-61-44.2179.400000111.9L411 I439 D444 F445 A452L411-A448 HydrophobicContact CD1-CB 4.02Å; I439-A448 HydrophobicContact CD1-CB 4.25Å; D444-A448 WeakPolarHBondContact O-CB 3.5Å; D444-A448 PolarHBondContact O-N 2.76Å; F445-A448 PolarHBondContact O-N 3.47Å; A448-A452 WeakPolarHBondContact O-CB 3.31Å; A448-A452 PolarHBondContact O-N 3.24Å
449I95Very high92.6Very high1 Ų149.5 Ų49.51%0.00524%0.238CC..Hα-helixtrans-66.1-41.4177.5-66.2-73.9000111.5W316 L411 F445 W446 I447 A452 D453 A460 L463 L464W316-I449 HydrophobicContact CH2-CG2 3.99Å; L411-I449 HydrophobicContact CD1-CD1 3.61Å; L411-I449 HydrophobicContact CD1-CG1 4.13Å; L411-I449 HydrophobicContact CD2-CD1 4.09Å; L411-I449 HydrophobicContact CG-CD1 4.43Å; F445-I449 HydrophobicContact CD1-CG1 4.43Å; F445-I449 HydrophobicContact CD2-CG1 4.24Å; F445-I449 HydrophobicContact CE1-CG1 4.02Å; F445-I449 HydrophobicContact CE2-CD1 4.04Å; F445-I449 HydrophobicContact CE2-CG1 3.81Å; F445-I449 HydrophobicContact CZ-CD1 4.01Å; F445-I449 HydrophobicContact CZ-CG1 3.69Å; F445-I449 VanDerWaalsContact O-CG1 3.31Å; F445-I449 WeakPolarHBondContact O-CG1 3.32Å; F445-I449 PolarHBondContact O-N 2.73Å; W446-I449 PolarHBondContact O-N 2.92Å; I447-I449 PolarHBondContact O-N 3.46Å; I449-A452 PolarHBondContact O-N 2.83Å; I449-D453 WeakPolarHBondContact O-CB 3.35Å; I449-D453 PolarHBondContact O-N 2.92Å; I449-A460 HydrophobicContact CG2-CB 3.89Å; I449-L463 HydrophobicContact CD1-CD1 3.61Å; I449-L464 HydrophobicContact CG2-CD1 4Å
450A95Very high92.5Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-61.7-48177.300000112.3L283 Q286 W316 W446 I447 D453 L454L283-A450 WeakPolarHBondContact O-CB 3.47Å; Q286-A450 HydrophobicContact CB-CB 3.98Å; Q286-A450 PolarHBondContact NE2-O 2.87Å; W316-A450 VanDerWaalsContact CH2-CA 3.42Å; W316-A450 HydrophobicContact CH2-CB 3.92Å; W316-A450 HydrophobicContact CZ3-CB 3.79Å; W446-A450 VanDerWaalsContact O-CB 3.24Å; W446-A450 WeakPolarHBondContact O-CB 3.4Å; W446-A450 PolarHBondContact O-N 2.77Å; I447-A450 PolarHBondContact O-N 3.34Å; A450-D453 PolarHBondContact O-N 2.78Å; A450-L454 WeakPolarHBondContact O-CB 3.45Å; A450-L454 PolarHBondContact O-N 3.03Å
451V96.1Very high92.5Very high26 Ų2644 Ų4416%0.15822%0.215CC..Hα-helixtrans-68.1-39.6178.3179.10000110.9L404 A408 I447 L454 M455L404-V451 HydrophobicContact CB-CG2 4.35Å; A408-V451 HydrophobicContact CB-CB 3.98Å; A408-V451 HydrophobicContact CB-CG1 3.63Å; I447-V451 HydrophobicContact CG2-CG2 4.33Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.5Å; I447-V451 PolarHBondContact O-N 2.75Å; V451-L454 WeakPolarHBondContact O-CB 3.49Å; V451-L454 PolarHBondContact O-N 3.43Å; V451-M455 HydrophobicContact CG1-SD 4.28Å; V451-M455 WeakPolarHBondContact O-CG 3.32Å; V451-M455 PolarHBondContact O-N 2.82Å; V451-M455 VanDerWaalsContact O-N 3.08Å
452A96.1Very high92.4Very high2 Ų243 Ų432%0.01721%0.207CC..Hα-helixtrans-64.4-41.9177.400000112.4A408 L411 A448 I449 L454 M455 R456 L459A408-A452 HydrophobicContact CB-CB 3.78Å; L411-A452 HydrophobicContact CD2-CB 4.04Å; A448-A452 WeakPolarHBondContact O-CB 3.31Å; A448-A452 PolarHBondContact O-N 3.24Å; I449-A452 PolarHBondContact O-N 2.83Å; A452-L454 VanDerWaalsContact C-N 3.3Å; A452-L454 PolarHBondContact O-N 3.1Å; A452-M455 PolarHBondContact O-N 2.55Å; A452-R456 PolarHBondContact O-N 2.67Å; A452-L459 HydrophobicContact CB-CD2 3.63Å
453D94.4Very high92.4Very high15 Ų1537.7 Ų37.78%0.0819%0.185CC..Hα-helixtrans-70.5-26.6175.6-166.675.4000112.8Q286 W316 I449 A450 M455 R456 P457 K458 L459 A460Q286-D453 PolarHBondContact NE2-OD2 2.94Å; W316-D453 HydrophobicContact CZ2-CB 3.53Å; W316-D453 PolarHBondContact NE1-OD2 2.79Å; I449-D453 WeakPolarHBondContact O-CB 3.35Å; I449-D453 PolarHBondContact O-N 2.92Å; A450-D453 PolarHBondContact O-N 2.78Å; D453-M455 VanDerWaalsContact C-N 3.33Å; D453-R456 WeakPolarHBondContact CA-O 3.36Å; D453-R456 CarbonylContact O-C 3.56Å; D453-P457 VanDerWaalsContact O-CA 3.31Å; D453-P457 WeakPolarHBondContact O-CA 3.32Å; D453-K458 VanDerWaalsContact OD1-C 3.31Å; D453-K458 WeakPolarHBondContact OD1-CA 3.39Å; D453-K458 PolarHBondContact OD1-N 3.15Å; D453-L459 PolarHBondContact OD1-N 3.34Å; D453-A460 HydrophobicContact CB-CB 3.95Å; D453-A460 PolarHBondContact OD1-N 2.87Å
454L91.6Very high92.2Very high108 Ų10837.7 Ų37.757%0.56518%0.184SC*.Hα-helixtrans-67.5-39.1173.2-176.164.8000110.7Q286 A450 V451 A452Q286-L454 HydrophobicContact CG-CB 4.04Å; Q286-L454 HydrophobicContact CG-CD1 4.24Å; A450-L454 WeakPolarHBondContact O-CB 3.45Å; A450-L454 PolarHBondContact O-N 3.03Å; V451-L454 WeakPolarHBondContact O-CB 3.49Å; V451-L454 PolarHBondContact O-N 3.43Å; A452-L454 VanDerWaalsContact C-N 3.3Å; A452-L454 PolarHBondContact O-N 3.1Å
455M91.8Very high91.6Very high107 Ų10740.8 Ų40.853%0.52720%0.197SC..Hα-helixtrans-76-34.6176.7-65.4175.669.100112.4A405 A408 V451 A452 D453A405-M455 HydrophobicContact CB-SD 4.23Å; A408-M455 HydrophobicContact CB-SD 3.88Å; V451-M455 HydrophobicContact CG1-SD 4.28Å; V451-M455 WeakPolarHBondContact O-CG 3.32Å; V451-M455 PolarHBondContact O-N 2.82Å; V451-M455 VanDerWaalsContact O-N 3.08Å; A452-M455 PolarHBondContact O-N 2.55Å; D453-M455 VanDerWaalsContact C-N 3.33Å
456R90.6Very high90.1Very high105 Ų10545.4 Ų45.440%0.39623%0.229SC..SBendtrans-132.791.7178.8-173.4178.8-178168.52.7110D412 A452 D453 K458 L459D412-R456 WeakPolarHBondContact OD1-CD 3.45Å; D412-R456 IonicContact OD1-CZ 3.6Å; D412-R456 IonicContact OD1-NE 2.92Å; D412-R456 IonicContact OD1-NH1 3.94Å; D412-R456 PolarHBondContact OD1-NH1 2.86Å; D412-R456 IonicContact OD2-NH1 2.63Å; A452-R456 PolarHBondContact O-N 2.67Å; D453-R456 WeakPolarHBondContact CA-O 3.36Å; D453-R456 CarbonylContact O-C 3.56Å; R456-K458 PolarHBondContact O-N 3.29Å; R456-L459 HydrophobicContact CB-CB 4.33Å; R456-L459 HydrophobicContact CB-CD2 4.42Å; R456-L459 HydrophobicContact CG-CB 4.44Å; R456-L459 WeakPolarHBondContact O-CB 3.13Å; R456-L459 PolarHBondContact O-N 3.14Å; R456-L459 VanDerWaalsContact O-N 3.17Å
457P87.9Confident88.2Confident98 Ų9854.4 Ų54.464%0.63626%0.263SS*.THydrogen-bonded Turntrans-53.8138.8-179.2-28.535.5000112.8D453 L459D453-P457 VanDerWaalsContact O-CA 3.31Å; D453-P457 WeakPolarHBondContact O-CA 3.32Å; P457-L459 VanDerWaalsContact C-N 3.31Å
458K88.3Confident87.8Confident124 Ų12457.1 Ų57.154%0.53928%0.276SS..THydrogen-bonded Turntrans77.14.4-177.5-48.5173.7-179.9173.30114.9D453 R456 E461 Y462D453-K458 VanDerWaalsContact OD1-C 3.31Å; D453-K458 WeakPolarHBondContact OD1-CA 3.39Å; D453-K458 PolarHBondContact OD1-N 3.15Å; R456-K458 PolarHBondContact O-N 3.29Å; K458-E461 WeakPolarHBondContact O-CB 3.07Å; K458-E461 PolarHBondContact O-N 3.43Å; K458-Y462 WeakPolarHBondContact O-CB 3.2Å; K458-Y462 PolarHBondContact O-N 2.93Å
459L92Very high87.4Confident6 Ų659.8 Ų59.83%0.03129%0.288CS..Hα-helixtrans-64.3-40.4173-177.961.3000112.1L411 D412 A452 D453 R456 P457 E461 Y462 L463L411-L459 HydrophobicContact CD2-CD2 4.17Å; D412-L459 HydrophobicContact CB-CD2 4.15Å; A452-L459 HydrophobicContact CB-CD2 3.63Å; D453-L459 PolarHBondContact OD1-N 3.34Å; R456-L459 HydrophobicContact CB-CB 4.33Å; R456-L459 HydrophobicContact CB-CD2 4.42Å; R456-L459 HydrophobicContact CG-CB 4.44Å; R456-L459 WeakPolarHBondContact O-CB 3.13Å; R456-L459 PolarHBondContact O-N 3.14Å; R456-L459 VanDerWaalsContact O-N 3.17Å; P457-L459 VanDerWaalsContact C-N 3.31Å; L459-E461 VanDerWaalsContact C-N 3.28Å; L459-E461 PolarHBondContact O-N 2.98Å; L459-Y462 HydrophobicContact CD1-CD1 4.12Å; L459-Y462 WeakPolarHBondContact O-CB 3.3Å; L459-Y462 PolarHBondContact O-N 2.96Å; L459-Y462 VanDerWaalsContact O-N 3.14Å; L459-L463 HydrophobicContact CD1-CD1 3.88Å; L459-L463 HydrophobicContact CD1-CD2 4.41Å; L459-L463 HydrophobicContact CD1-CG 3.9Å; L459-L463 HydrophobicContact CD2-CD1 4.37Å; L459-L463 HydrophobicContact CG-CD1 3.76Å; L459-L463 HydrophobicContact CG-CG 4.19Å; L459-L463 WeakPolarHBondContact O-CB 3.42Å; L459-L463 VanDerWaalsContact O-CG 3.27Å; L459-L463 WeakPolarHBondContact O-CG 3.19Å; L459-L463 PolarHBondContact O-N 3.49Å
460A91.9Very high87Confident1 Ų163.1 Ų63.11%0.00830%0.304CS..Hα-helixtrans-62.2-38.7175.400000111.4W316 W334 I449 D453 L463 L464W316-A460 HydrophobicContact CH2-CB 4.08Å; W316-A460 HydrophobicContact CZ2-CB 3.53Å; W334-A460 HydrophobicContact CD2-CB 4.25Å; W334-A460 HydrophobicContact CZ2-CB 4.25Å; I449-A460 HydrophobicContact CG2-CB 3.89Å; D453-A460 HydrophobicContact CB-CB 3.95Å; D453-A460 PolarHBondContact OD1-N 2.87Å; A460-L463 PolarHBondContact O-N 2.8Å; A460-L464 HydrophobicContact CB-CD1 4.32Å; A460-L464 WeakPolarHBondContact O-CA 3.45Å; A460-L464 WeakPolarHBondContact O-CB 3.28Å; A460-L464 VanDerWaalsContact O-CG 3.31Å; A460-L464 WeakPolarHBondContact O-CG 3.5Å; A460-L464 PolarHBondContact O-N 3.45Å
461E90.3Very high86.5Confident70 Ų7066.8 Ų66.833%0.32732%0.321SS..Hα-helixtrans-61.2-45.9171.8163.1168.2-17000112.2W334 K458 L459 L463 K465W334-E461 HydrophobicContact CH2-CB 3.65Å; W334-E461 HydrophobicContact CH2-CG 4.47Å; W334-E461 HydrophobicContact CZ2-CB 3.83Å; K458-E461 WeakPolarHBondContact O-CB 3.07Å; K458-E461 PolarHBondContact O-N 3.43Å; L459-E461 VanDerWaalsContact C-N 3.28Å; L459-E461 PolarHBondContact O-N 2.98Å; E461-L463 PolarHBondContact O-N 3.38Å; E461-K465 HydrophobicContact CG-CD 3.81Å; E461-K465 HydrophobicContact CG-CG 4.33Å; E461-K465 WeakPolarHBondContact O-CB 3.46Å; E461-K465 WeakPolarHBondContact O-CG 3.31Å; E461-K465 PolarHBondContact O-N 3.18Å; E461-K465 VanDerWaalsContact O-N 3.16Å; E461-K465 WeakPolarHBondContact OE1-CE 3.36Å; E461-K465 IonicContact OE1-NZ 2.87Å; E461-K465 PolarHBondContact OE1-NZ 2.97Å; E461-K465 IonicContact OE2-NZ 3.23Å
462Y89.6Confident85.9Confident45 Ų4569.3 Ų69.318%0.17633%0.332CS..Hα-helixtrans-61.1-42.3178.4172.4-84.4000112.6S419 R425 L428 K458 L459S419-Y462 WeakPolarHBondContact CB-OH 3.34Å; S419-Y462 PolarHBondContact OG-OH 2.92Å; R425-Y462 HydrophobicContact CG-CE2 4.19Å; R425-Y462 VanDerWaalsContact NH1-CD2 3.27Å; R425-Y462 VanDerWaalsContact NH2-CD2 3.31Å; L428-Y462 HydrophobicContact CD1-CE1 3.55Å; K458-Y462 WeakPolarHBondContact O-CB 3.2Å; K458-Y462 PolarHBondContact O-N 2.93Å; L459-Y462 HydrophobicContact CD1-CD1 4.12Å; L459-Y462 WeakPolarHBondContact O-CB 3.3Å; L459-Y462 PolarHBondContact O-N 2.96Å; L459-Y462 VanDerWaalsContact O-N 3.14Å
463L90.3Very high85.3Confident14 Ų1473.8 Ų73.87%0.07335%0.353CS..Hα-helixtrans-84.9-37.5-175.4-66.2176.5000113.9L411 A415 L428 I433 I449 L459 A460 E461L411-L463 HydrophobicContact CD2-CD1 3.37Å; A415-L463 HydrophobicContact CB-CD2 3.67Å; L428-L463 HydrophobicContact CD1-CD2 4.09Å; I433-L463 HydrophobicContact CD1-CD2 4.22Å; I449-L463 HydrophobicContact CD1-CD1 3.61Å; L459-L463 HydrophobicContact CD1-CD1 3.88Å; L459-L463 HydrophobicContact CD1-CD2 4.41Å; L459-L463 HydrophobicContact CD1-CG 3.9Å; L459-L463 HydrophobicContact CD2-CD1 4.37Å; L459-L463 HydrophobicContact CG-CD1 3.76Å; L459-L463 HydrophobicContact CG-CG 4.19Å; L459-L463 WeakPolarHBondContact O-CB 3.42Å; L459-L463 VanDerWaalsContact O-CG 3.27Å; L459-L463 WeakPolarHBondContact O-CG 3.19Å; L459-L463 PolarHBondContact O-N 3.49Å; A460-L463 PolarHBondContact O-N 2.8Å; E461-L463 PolarHBondContact O-N 3.38Å
464L86.6Confident84.6Confident4 Ų478 Ų782%0.02137%0.372CS..Hα-helixtrans-99.3-22.6-169.1-58.1178.7000112.9W334 R335 F445 W446 I449 A460 S466W334-L464 HydrophobicContact CB-CD1 4.15Å; W334-L464 HydrophobicContact CD2-CD1 4.01Å; W334-L464 HydrophobicContact CE3-CB 3.85Å; W334-L464 HydrophobicContact CE3-CD1 3.76Å; W334-L464 HydrophobicContact CE3-CG 4.45Å; W334-L464 HydrophobicContact CG-CD1 4.16Å; W334-L464 HydrophobicContact CZ3-CB 4.03Å; R335-L464 HydrophobicContact CG-CB 4.3Å; R335-L464 PolarHBondContact NE-O 2.87Å; R335-L464 PolarHBondContact NH2-O 2.9Å; F445-L464 HydrophobicContact CE1-CD2 4.28Å; F445-L464 HydrophobicContact CZ-CD2 4.05Å; W446-L464 HydrophobicContact CH2-CD1 4.05Å; W446-L464 HydrophobicContact CZ3-CD1 3.57Å; I449-L464 HydrophobicContact CG2-CD1 4Å; A460-L464 HydrophobicContact CB-CD1 4.32Å; A460-L464 WeakPolarHBondContact O-CA 3.45Å; A460-L464 WeakPolarHBondContact O-CB 3.28Å; A460-L464 VanDerWaalsContact O-CG 3.31Å; A460-L464 WeakPolarHBondContact O-CG 3.5Å; A460-L464 PolarHBondContact O-N 3.45Å; L464-S466 PolarHBondContact O-N 3.43Å
465K79.3Confident84.1Confident84 Ų8475.7 Ų75.737%0.36536%0.357SS..SBendtrans-64.1126.3175.7-75.9-172.1-179.2171.30109.7W334 K342 E461W334-K465 HydrophobicContact CH2-CG 4.34Å; W334-K465 HydrophobicContact CZ3-CG 4.26Å; K342-K465 VanDerWaalsContact NZ-CE 3.26Å; K342-K465 VanDerWaalsContact NZ-NZ 3.11Å; E461-K465 HydrophobicContact CG-CD 3.81Å; E461-K465 HydrophobicContact CG-CG 4.33Å; E461-K465 WeakPolarHBondContact O-CB 3.46Å; E461-K465 WeakPolarHBondContact O-CG 3.31Å; E461-K465 PolarHBondContact O-N 3.18Å; E461-K465 VanDerWaalsContact O-N 3.16Å; E461-K465 WeakPolarHBondContact OE1-CE 3.36Å; E461-K465 IonicContact OE1-NZ 2.87Å; E461-K465 PolarHBondContact OE1-NZ 2.97Å; E461-K465 IonicContact OE2-NZ 3.23Å
466S61.8Low83.4Confident97 Ų9773.1 Ų73.168%0.67834%0.343SS*.  trans-60.6140.5168.748.50000108.6L464L464-S466 PolarHBondContact O-N 3.43Å
467R52.8Low82.8Confident229 Ų22970.2 Ų70.286%0.86434%0.338SS*.  trans-50.20170.6-73.1176.7167-145.2-28112D424D424-R467 IonicContact OD1-NH2 3.07Å; D424-R467 PolarHBondContact OD1-NH2 3.03Å

Retrieved 467 of 467 residues in 680.7 ms (Link to these results)

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