A0A060Y2H8_ONCMY Loading...

Protein tyrosine phosphatase type IVA 3

Protein tyrosine phosphatase which stimulates progression from G1 into S phase during mitosis. Enhances cell proliferation, cell motility and invasive activity, and promotes cancer metastasis. May be involved in the progression of cardiac hypertrophy by inhibiting intracellular calcium mobilization in response to angiotensin II.

AlphaFold DB , UniProt , Accession A0A060Y2H8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110496663, Length 173 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
1M40.3Very low63.9Low244 Ų244109.1 Ų109.1100%1.20258%0.579SS**  0117.50-76.1173.1171.500108R3M1-R3 PolarHBondContact O-N 3.1Å
2A35.4Very low66.4Low98 Ų98100.1 Ų100.181%0.8153%0.531SS*.  trans-58.3120.7-176.300000109.8M4A2-M4 VanDerWaalsContact C-N 3.32Å; A2-M4 PolarHBondContact O-N 2.84Å
3R42.2Very low68.5Low238 Ų23897 Ų9790%0.89852%0.521SS*.  trans-57.7100.8165.1-83.3176.5144.5176.5-6.5106.3M1 N5M1-R3 PolarHBondContact O-N 3.1Å; R3-N5 PolarHBondContact O-N 3.32Å
4M49.1Very low70.1Confident135 Ų13594.2 Ų94.267%0.66550%0.5SS*.  trans-55.2113.7166.1-76.8-174.1-88.400106A2 R6A2-M4 VanDerWaalsContact C-N 3.32Å; A2-M4 PolarHBondContact O-N 2.84Å; M4-R6 HydrophobicContact CB-CG 4.01Å; M4-R6 VanDerWaalsContact CE-NH2 3.32Å; M4-R6 PolarHBondContact O-N 2.69Å
5N53Low71.3Confident168 Ų16896.6 Ų96.690%0.89851%0.505SS*.  trans-65.570.9172.4-98.1-12.1000108.4R3R3-N5 PolarHBondContact O-N 3.32Å
6R62.5Low72.2Confident79 Ų7994.6 Ų94.630%0.29850%0.495SS..PPolyproline II helixtrans-76128.7172.6-65.3-173.9-178.1-176.61.3106.6M4 A8 H23 T29M4-R6 HydrophobicContact CB-CG 4.01Å; M4-R6 VanDerWaalsContact CE-NH2 3.32Å; M4-R6 PolarHBondContact O-N 2.69Å; R6-A8 PolarHBondContact O-N 3.05Å; R6-H23 WeakPolarHBondContact CD-NE2 3.19Å; R6-H23 PolarHBondContact NH1-NE2 3.29Å; R6-T29 PolarHBondContact NH1-OG1 3.25Å
7P68.4Low73.4Confident66 Ų6689.2 Ų89.243%0.42947%0.467SS..PPolyproline II helixtrans-58.5133.3176.121-29.1000109.3
8A79.6Confident74.6Confident78 Ų7888.3 Ų88.365%0.64546%0.456SS*.PPolyproline II helixtrans-57.4149.3178.600000110.8R6 A10R6-A8 PolarHBondContact O-N 3.05Å; A8-A10 PolarHBondContact O-N 3.46Å
9P87.4Confident75.7Confident32 Ų3283.7 Ų83.721%0.20843%0.432CS..PPolyproline II helixtrans-51.7132.7169.3-25.434.9000110.9L20 T22 Y40P9-L20 HydrophobicContact CB-CD1 3.85Å; P9-L20 HydrophobicContact CB-CG 4.41Å; P9-T22 HydrophobicContact CB-CG2 4.33Å; P9-Y40 HydrophobicContact CB-CE2 4.14Å; P9-Y40 HydrophobicContact CG-CE2 4.34Å
10A91.3Very high76.7Confident7 Ų779.6 Ų79.66%0.05841%0.411CS..EExtended strand (participates in β ladder)trans-105.5106.7179.900000109.5A8 I21 K136 R137A8-A10 PolarHBondContact O-N 3.46Å; A10-I21 HydrophobicContact CB-CB 4.31Å; A10-I21 PolarHBondContact N-O 2.91Å; A10-I21 PolarHBondContact O-N 3.3Å; A10-K136 HydrophobicContact CB-CB 4.16Å; A10-R137 HydrophobicContact CB-CB 4.14Å
11E93.8Very high77.5Confident55 Ų5575.9 Ų75.926%0.25739%0.392SS..EExtended strand (participates in β ladder)trans-83.6132.5174.3-168.3-176.8-150.700110.6R18 L20E11-R18 IonicContact OE1-CZ 2.59Å; E11-R18 IonicContact OE1-NE 2.8Å; E11-R18 PolarHBondContact OE1-NE 2.86Å; E11-R18 IonicContact OE1-NH2 2.95Å; E11-R18 PolarHBondContact OE1-NH2 2.87Å; E11-L20 HydrophobicContact CB-CD1 4.05Å
12V93.9Very high79.9Confident1 Ų164.4 Ų64.41%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-123.5105.7179.1-178.30000107.9L19 I21 V115 L119 F132V12-L19 HydrophobicContact CB-CB 4.45Å; V12-L19 PolarHBondContact N-O 3.17Å; V12-L19 PolarHBondContact O-N 2.88Å; V12-I21 HydrophobicContact CG2-CD1 4.31Å; V12-V115 HydrophobicContact CB-CG1 4.11Å; V12-V115 HydrophobicContact CG1-CG1 3.92Å; V12-V115 HydrophobicContact CG2-CG1 4.17Å; V12-L119 HydrophobicContact CG1-CD1 4.15Å; V12-L119 HydrophobicContact CG1-CD2 4.23Å; V12-F132 HydrophobicContact CG1-CD1 3.8Å; V12-F132 HydrophobicContact CG1-CE1 3.46Å; V12-F132 VanDerWaalsContact CG1-CE1 3.46Å; V12-F132 HydrophobicContact CG1-CZ 4.38Å
13C93.4Very high82.4Confident60 Ų6061.1 Ų61.141%0.40530%0.303SS..EExtended strand (participates in β ladder)trans-104.4126.3178-60.30000109.8M17 F132C13-M17 WeakPolarHBondContact CA-O 3.29Å; C13-F132 WeakPolarHBondContact O-CZ 3.28Å
14Y91.8Very high84.5Confident58 Ų5851.1 Ų51.123%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-148.2120.3175-175.1-109.8000110.6N16 M17 L119 M124Y14-N16 PolarHBondContact O-N 3.4Å; Y14-M17 HydrophobicContact CD1-CE 4.15Å; Y14-M17 PolarHBondContact N-O 3.11Å; Y14-M17 WeakPolarHBondContact O-CB 3.5Å; Y14-M17 PolarHBondContact O-N 3.43Å; Y14-L119 HydrophobicContact CD1-CD2 3.88Å; Y14-L119 HydrophobicContact CG-CD2 3.72Å; Y14-M124 HydrophobicContact CD1-CE 4.31Å; Y14-M124 HydrophobicContact CD2-CE 3.3Å; Y14-M124 HydrophobicContact CE1-CB 4.49Å; Y14-M124 HydrophobicContact CE1-CE 4.22Å; Y14-M124 HydrophobicContact CE2-CE 3.2Å; Y14-M124 HydrophobicContact CG-CE 3.88Å
15K88.1Confident86.4Confident130 Ų13044.7 Ų44.757%0.56524%0.236SC*.THydrogen-bonded Turntrans55.2-125.3-172.6-58.1178.7175.2-179.20110.7M17 S122K15-M17 VanDerWaalsContact C-N 3.33Å; K15-S122 PolarHBondContact NZ-O 2.9Å
16N85.8Confident87.9Confident64 Ų6439.5 Ų39.534%0.34221%0.21SC..THydrogen-bonded Turntrans-86.5-0.1176.665.3-38000113.5Y14Y14-N16 PolarHBondContact O-N 3.4Å
17M91.3Very high88.9Confident4 Ų441 Ų412%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-95.4133.2-178.3-54.5-170.3-5900111.3C13 Y14 K15 F92 A118 L119 S122 L158C13-M17 WeakPolarHBondContact CA-O 3.29Å; Y14-M17 HydrophobicContact CD1-CE 4.15Å; Y14-M17 PolarHBondContact N-O 3.11Å; Y14-M17 WeakPolarHBondContact O-CB 3.5Å; Y14-M17 PolarHBondContact O-N 3.43Å; K15-M17 VanDerWaalsContact C-N 3.33Å; M17-F92 HydrophobicContact CB-CD2 4Å; M17-F92 HydrophobicContact CB-CE1 4.5Å; M17-F92 HydrophobicContact CB-CE2 3.51Å; M17-F92 HydrophobicContact CB-CZ 3.82Å; M17-F92 HydrophobicContact CG-CD2 3.56Å; M17-F92 HydrophobicContact CG-CE2 3.5Å; M17-F92 VanDerWaalsContact CG-CE2 3.5Å; M17-F92 HydrophobicContact CG-CG 4.38Å; M17-F92 HydrophobicContact CG-CZ 4.29Å; M17-F92 HydrophobicContact SD-CD2 4.24Å; M17-F92 HydrophobicContact SD-CE2 3.98Å; M17-A118 HydrophobicContact CE-CB 4.43Å; M17-L119 HydrophobicContact CE-CD2 4.48Å; M17-S122 WeakPolarHBondContact CE-OG 3.47Å; M17-S122 PolarHBondContact SD-OG 3.18Å; M17-L158 HydrophobicContact SD-CD1 3.91Å
18R95.1Very high89.8Confident73 Ų7343 Ų4328%0.27524%0.24SC..EExtended strand (participates in β ladder)trans-122.3114.3169.8-63.317760.8-142.7-4.6109.2E11 Y40 G97 C99 V100E11-R18 IonicContact OE1-CZ 2.59Å; E11-R18 IonicContact OE1-NE 2.8Å; E11-R18 PolarHBondContact OE1-NE 2.86Å; E11-R18 IonicContact OE1-NH2 2.95Å; E11-R18 PolarHBondContact OE1-NH2 2.87Å; R18-Y40 PolarHBondContact NH2-O 3.5Å; R18-G97 PolarHBondContact NH1-O 3.17Å; R18-C99 HydrophobicContact CB-CB 4.29Å; R18-C99 WeakPolarHBondContact O-CA 3.44Å; R18-C99 PolarHBondContact O-SG 2.94Å; R18-V100 PolarHBondContact O-N 2.79Å
19L95.9Very high90.1Very high1 Ų140.9 Ų40.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-117138.8-177.5-61.1172000109.6V12 W84 L88 F92 V100 V115 A118V12-L19 HydrophobicContact CB-CB 4.45Å; V12-L19 PolarHBondContact N-O 3.17Å; V12-L19 PolarHBondContact O-N 2.88Å; L19-W84 HydrophobicContact CD1-CZ2 4.43Å; L19-W84 HydrophobicContact CD2-CH2 3.86Å; L19-W84 HydrophobicContact CD2-CZ2 4.06Å; L19-L88 HydrophobicContact CD2-CD1 4.21Å; L19-L88 HydrophobicContact CD2-CD2 3.69Å; L19-F92 HydrophobicContact CD2-CE2 4.26Å; L19-F92 HydrophobicContact CD2-CZ 3.89Å; L19-F92 HydrophobicContact CG-CZ 4.49Å; L19-V100 WeakPolarHBondContact CA-O 3.4Å; L19-V100 HydrophobicContact CD2-CB 3.99Å; L19-V115 HydrophobicContact CB-CG1 4.43Å; L19-V115 HydrophobicContact CB-CG2 4.42Å; L19-V115 HydrophobicContact CD1-CB 4.42Å; L19-V115 HydrophobicContact CD1-CG1 3.9Å; L19-V115 HydrophobicContact CD1-CG2 4.37Å; L19-A118 HydrophobicContact CD1-CB 3.86Å
20L95Very high90.2Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-121.1118.4-179.3-174.371.1000110.6P9 E11 T22 L37 Y40 C99 V100 A101 V102P9-L20 HydrophobicContact CB-CD1 3.85Å; P9-L20 HydrophobicContact CB-CG 4.41Å; E11-L20 HydrophobicContact CB-CD1 4.05Å; L20-T22 HydrophobicContact CD2-CG2 3.6Å; L20-T22 HydrophobicContact CG-CG2 3.67Å; L20-L37 HydrophobicContact CD2-CD2 4.19Å; L20-Y40 HydrophobicContact CD1-CD1 4.04Å; L20-Y40 HydrophobicContact CD1-CD2 4.17Å; L20-Y40 HydrophobicContact CD1-CE1 4.27Å; L20-Y40 HydrophobicContact CD1-CE2 4.44Å; L20-Y40 HydrophobicContact CD1-CG 4Å; L20-Y40 HydrophobicContact CD2-CD2 3.81Å; L20-Y40 HydrophobicContact CD2-CG 3.9Å; L20-C99 VanDerWaalsContact CB-SG 3.58Å; L20-V100 PolarHBondContact N-O 3.49Å; L20-A101 HydrophobicContact CB-CB 4.18Å; L20-A101 HydrophobicContact CD2-CB 4.38Å; L20-A101 CarbonylContact O-C 3.48Å; L20-A101 VanDerWaalsContact O-CA 3.24Å; L20-A101 WeakPolarHBondContact O-CA 3.46Å; L20-V102 PolarHBondContact O-N 2.77Å
21I93.3Very high90.2Very high1 Ų145 Ų451%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-94.9111175.1-43.3177.9000108.6A10 V12 V102 A111 P112 V115 I133 R137A10-I21 HydrophobicContact CB-CB 4.31Å; A10-I21 PolarHBondContact N-O 2.91Å; A10-I21 PolarHBondContact O-N 3.3Å; V12-I21 HydrophobicContact CG2-CD1 4.31Å; I21-V102 WeakPolarHBondContact CA-O 3.32Å; I21-V102 HydrophobicContact CG1-CG1 4.43Å; I21-A111 HydrophobicContact CG2-CB 4.09Å; I21-P112 HydrophobicContact CD1-CG 4.3Å; I21-P112 HydrophobicContact CG2-CG 4.41Å; I21-V115 HydrophobicContact CD1-CB 4.32Å; I21-V115 HydrophobicContact CD1-CG1 4.46Å; I21-V115 HydrophobicContact CD1-CG2 3.97Å; I21-V115 HydrophobicContact CG1-CG2 3.83Å; I21-I133 HydrophobicContact CD1-CG2 4.27Å; I21-R137 PolarHBondContact O-NH1 2.95Å
22T91.4Very high90.1Very high4 Ų445.6 Ų45.63%0.02525%0.248CC..  trans-107.1-172.5-178.763.80000111.8P9 L20 F33 V102 H103 R137P9-T22 HydrophobicContact CB-CG2 4.33Å; L20-T22 HydrophobicContact CD2-CG2 3.6Å; L20-T22 HydrophobicContact CG-CG2 3.67Å; T22-F33 HydrophobicContact CG2-CE2 4.18Å; T22-V102 PolarHBondContact N-O 2.87Å; T22-H103 WeakPolarHBondContact OG1-CB 3.31Å; T22-R137 PolarHBondContact O-NH1 3.33Å; T22-R137 VanDerWaalsContact O-NH1 3.16Å
23H87.9Confident89.9Confident28 Ų2845.8 Ų45.813%0.1325%0.249CC..  trans-106.6161.3170.962.6-83.6000109.3R6 P25R6-H23 WeakPolarHBondContact CD-NE2 3.19Å; R6-H23 PolarHBondContact NH1-NE2 3.29Å; H23-P25 WeakPolarHBondContact O-CD 3.22Å
24N87.3Confident89.9Confident28 Ų2843.2 Ų43.215%0.1523%0.232CC..PPolyproline II helixtrans-66.4121.2174.1-161.725.9000110.3T52 Y53 H103 C104 V105N24-T52 PolarHBondContact ND2-OG1 3.32Å; N24-T52 PolarHBondContact OD1-OG1 2.96Å; N24-Y53 WeakPolarHBondContact OD1-CE1 3.22Å; N24-H103 PolarHBondContact OD1-CE1 2.92Å; N24-H103 VanDerWaalsContact OD1-CE1 3.24Å; N24-C104 WeakPolarHBondContact CB-O 3.26Å; N24-V105 WeakPolarHBondContact CB-O 3.42Å; N24-V105 PolarHBondContact N-O 3.2Å
25P88.4Confident89.9Confident0 Ų046.9 Ų46.90%025%0.251CS..PPolyproline II helixtrans-72.1159.3173.132.6-36.6000111H23 L30 F33 Y53H23-P25 WeakPolarHBondContact O-CD 3.22Å; P25-L30 HydrophobicContact CB-CD1 4.22Å; P25-L30 HydrophobicContact CG-CD1 3.99Å; P25-F33 HydrophobicContact CB-CB 3.94Å; P25-F33 HydrophobicContact CB-CD1 4.07Å; P25-F33 HydrophobicContact CB-CD2 4.19Å; P25-F33 HydrophobicContact CB-CG 3.82Å; P25-F33 HydrophobicContact CG-CD1 3.74Å; P25-F33 HydrophobicContact CG-CD2 4.35Å; P25-F33 HydrophobicContact CG-CE1 3.87Å; P25-F33 HydrophobicContact CG-CE2 4.48Å; P25-F33 HydrophobicContact CG-CG 3.98Å; P25-F33 HydrophobicContact CG-CZ 4.26Å; P25-Y53 HydrophobicContact CG-CD1 3.63Å; P25-Y53 HydrophobicContact CG-CD2 4.29Å; P25-Y53 HydrophobicContact CG-CE1 3.41Å; P25-Y53 VanDerWaalsContact CG-CE1 3.41Å; P25-Y53 HydrophobicContact CG-CE2 4.1Å; P25-Y53 HydrophobicContact CG-CG 4.07Å
26T84.8Confident90.1Very high59 Ų5943.6 Ų43.636%0.36224%0.239SC..PPolyproline II helixtrans-99.5160.1162.855.10000109.1S28 T29 L30T26-S28 PolarHBondContact O-N 3.31Å; T26-S28 VanDerWaalsContact O-N 3.08Å; T26-S28 PolarHBondContact OG1-OG 2.99Å; T26-T29 PolarHBondContact N-OG1 3.08Å; T26-T29 CarbonylContact O-C 3.55Å; T26-T29 PolarHBondContact O-N 3.5Å; T26-T29 PolarHBondContact O-OG1 3.4Å; T26-T29 PolarHBondContact OG1-OG1 3.04Å; T26-L30 PolarHBondContact O-N 3.35Å; T26-L30 VanDerWaalsContact O-N 3.12Å
27N83.8Confident90.5Very high111 Ų11140.6 Ų40.659%0.59422%0.223SC*.G310 helixtrans-52.3-34.3175.5-71.3-29.1000112.5Y53N27-Y53 WeakPolarHBondContact OD1-CA 3.38Å; N27-Y53 WeakPolarHBondContact OD1-CB 3.31Å
28S85.4Confident90.6Very high108 Ų10845.4 Ų45.476%0.75524%0.244SC*.G310 helixtrans-71.9-23.8176.453.30000115.1T26T26-S28 PolarHBondContact O-N 3.31Å; T26-S28 VanDerWaalsContact O-N 3.08Å; T26-S28 PolarHBondContact OG1-OG 2.99Å
29T88Confident90.5Very high33 Ų3350 Ų5020%0.20227%0.266CS..G310 helixtrans-108.411.3-179.566.50000112.5R6 T26 S32 F33R6-T29 PolarHBondContact NH1-OG1 3.25Å; T26-T29 PolarHBondContact N-OG1 3.08Å; T26-T29 CarbonylContact O-C 3.55Å; T26-T29 PolarHBondContact O-N 3.5Å; T26-T29 PolarHBondContact O-OG1 3.4Å; T26-T29 PolarHBondContact OG1-OG1 3.04Å; T29-S32 PolarHBondContact O-N 2.86Å; T29-F33 WeakPolarHBondContact O-CB 3.07Å; T29-F33 PolarHBondContact O-N 2.91Å
30L89.3Confident90.3Very high8 Ų852.8 Ų52.84%0.04228%0.277CS..Hα-helixtrans-66.9-38.8-174-164.362.7000112.1P25 T26 F33 I34 Y53 P57 L58P25-L30 HydrophobicContact CB-CD1 4.22Å; P25-L30 HydrophobicContact CG-CD1 3.99Å; T26-L30 PolarHBondContact O-N 3.35Å; T26-L30 VanDerWaalsContact O-N 3.12Å; L30-F33 HydrophobicContact CD1-CD1 4.36Å; L30-F33 WeakPolarHBondContact O-CB 3.43Å; L30-F33 PolarHBondContact O-N 2.79Å; L30-I34 HydrophobicContact CG-CD1 4.36Å; L30-I34 VanDerWaalsContact O-CG1 3.32Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 3.39Å; L30-Y53 HydrophobicContact CD1-CD2 3.5Å; L30-Y53 HydrophobicContact CD1-CE2 3.86Å; L30-Y53 HydrophobicContact CD1-CG 4.15Å; L30-Y53 HydrophobicContact CD2-CD2 4.45Å; L30-P57 HydrophobicContact CD2-CB 3.88Å; L30-P57 HydrophobicContact CD2-CG 3.7Å; L30-L58 HydrophobicContact CD1-CD1 3.66Å; L30-L58 HydrophobicContact CD2-CD1 4.33Å; L30-L58 HydrophobicContact CG-CD1 4.15Å
31N90.8Very high90.2Very high117 Ų11754.3 Ų54.363%0.62629%0.292SS*.Hα-helixtrans-63.1-48.4177.7-66.4-16.1000111.6F33 I34 E35N31-F33 VanDerWaalsContact C-N 3.26Å; N31-F33 PolarHBondContact O-N 3.28Å; N31-I34 PolarHBondContact O-N 2.89Å; N31-I34 VanDerWaalsContact O-N 3.16Å; N31-E35 PolarHBondContact O-N 3.36Å
32S90.5Very high90.2Very high68 Ų6854.5 Ų54.548%0.47629%0.294SS..Hα-helixtrans-62.8-34.5175.2-520000112.1T29 E35 D36T29-S32 PolarHBondContact O-N 2.86Å; S32-E35 PolarHBondContact O-N 2.98Å; S32-D36 PolarHBondContact O-N 3.32Å
33F91.1Very high90.4Very high6 Ų656.3 Ų56.33%0.02631%0.306CS..Hα-helixtrans-64.9-41.2174.4-178.6-110.1000112.1T22 P25 T29 L30 N31 D36 L37 L58T22-F33 HydrophobicContact CG2-CE2 4.18Å; P25-F33 HydrophobicContact CB-CB 3.94Å; P25-F33 HydrophobicContact CB-CD1 4.07Å; P25-F33 HydrophobicContact CB-CD2 4.19Å; P25-F33 HydrophobicContact CB-CG 3.82Å; P25-F33 HydrophobicContact CG-CD1 3.74Å; P25-F33 HydrophobicContact CG-CD2 4.35Å; P25-F33 HydrophobicContact CG-CE1 3.87Å; P25-F33 HydrophobicContact CG-CE2 4.48Å; P25-F33 HydrophobicContact CG-CG 3.98Å; P25-F33 HydrophobicContact CG-CZ 4.26Å; T29-F33 WeakPolarHBondContact O-CB 3.07Å; T29-F33 PolarHBondContact O-N 2.91Å; L30-F33 HydrophobicContact CD1-CD1 4.36Å; L30-F33 WeakPolarHBondContact O-CB 3.43Å; L30-F33 PolarHBondContact O-N 2.79Å; N31-F33 VanDerWaalsContact C-N 3.26Å; N31-F33 PolarHBondContact O-N 3.28Å; F33-D36 PolarHBondContact O-N 3.38Å; F33-L37 HydrophobicContact CD1-CD1 3.75Å; F33-L37 HydrophobicContact CD1-CG 4.37Å; F33-L37 HydrophobicContact CE1-CD1 3.44Å; F33-L37 VanDerWaalsContact CE1-CD1 3.44Å; F33-L37 HydrophobicContact CE1-CG 4.16Å; F33-L37 HydrophobicContact CE2-CG 4.49Å; F33-L37 HydrophobicContact CG-CD1 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.91Å; F33-L37 HydrophobicContact CZ-CD2 4.23Å; F33-L37 HydrophobicContact CZ-CG 4.21Å; F33-L37 VanDerWaalsContact O-CG 3.26Å; F33-L37 WeakPolarHBondContact O-CG 3.35Å; F33-L37 PolarHBondContact O-N 3.42Å; F33-L58 HydrophobicContact CD1-CD2 4.47Å; F33-L58 HydrophobicContact CE1-CD2 4.11Å
34I92.9Very high90.8Very high6 Ų655 Ų553%0.03130%0.299CS..Hα-helixtrans-63.2-43.2174.8-68.9163.5000110.6L30 N31 L37 K38 P57 L58 D61 I63L30-I34 HydrophobicContact CG-CD1 4.36Å; L30-I34 VanDerWaalsContact O-CG1 3.32Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 3.39Å; N31-I34 PolarHBondContact O-N 2.89Å; N31-I34 VanDerWaalsContact O-N 3.16Å; I34-L37 PolarHBondContact O-N 3.48Å; I34-K38 HydrophobicContact CG2-CD 4.23Å; I34-K38 WeakPolarHBondContact O-CG 3.48Å; I34-K38 PolarHBondContact O-N 2.99Å; I34-P57 HydrophobicContact CD1-CB 3.93Å; I34-L58 HydrophobicContact CD1-CD1 4.45Å; I34-L58 HydrophobicContact CD1-CG 4.41Å; I34-L58 HydrophobicContact CG1-CD1 4.38Å; I34-L58 HydrophobicContact CG1-CG 4.03Å; I34-D61 HydrophobicContact CG2-CB 3.91Å; I34-I63 HydrophobicContact CG2-CD1 4.26Å
35E92.3Very high91.2Very high134 Ų13453.7 Ų53.763%0.62629%0.292SS*.Hα-helixtrans-60.6-44.6175.3-71.1174.1-173.900112N31 S32 K38 K39N31-E35 PolarHBondContact O-N 3.36Å; S32-E35 PolarHBondContact O-N 2.98Å; E35-K38 PolarHBondContact O-N 3.33Å; E35-K39 WeakPolarHBondContact O-CB 3.36Å; E35-K39 PolarHBondContact O-N 2.96Å
36D91.8Very high91.5Very high62 Ų6253.7 Ų53.733%0.33229%0.292SS..Hα-helixtrans-60-48.4174.9-79.3-24.5000110.8S32 F33 K38 K39 Y40S32-D36 PolarHBondContact O-N 3.32Å; F33-D36 PolarHBondContact O-N 3.38Å; D36-K38 VanDerWaalsContact C-N 3.33Å; D36-K38 PolarHBondContact O-N 2.79Å; D36-K39 WeakPolarHBondContact O-CB 3.29Å; D36-K39 PolarHBondContact O-N 3.39Å; D36-K39 VanDerWaalsContact O-N 3.16Å; D36-Y40 WeakPolarHBondContact O-CD2 3.35Å; D36-Y40 PolarHBondContact O-N 2.86Å; D36-Y40 VanDerWaalsContact O-N 3.17Å
37L93.8Very high92Very high1 Ų151.2 Ų51.21%0.00528%0.276CS..Hα-helixtrans-57.5-45.8177.8-72.5174.4000111.8L20 F33 I34 K39 Y40 G41 A42 V45 L58 I63 A101L20-L37 HydrophobicContact CD2-CD2 4.19Å; F33-L37 HydrophobicContact CD1-CD1 3.75Å; F33-L37 HydrophobicContact CD1-CG 4.37Å; F33-L37 HydrophobicContact CE1-CD1 3.44Å; F33-L37 VanDerWaalsContact CE1-CD1 3.44Å; F33-L37 HydrophobicContact CE1-CG 4.16Å; F33-L37 HydrophobicContact CE2-CG 4.49Å; F33-L37 HydrophobicContact CG-CD1 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.91Å; F33-L37 HydrophobicContact CZ-CD2 4.23Å; F33-L37 HydrophobicContact CZ-CG 4.21Å; F33-L37 VanDerWaalsContact O-CG 3.26Å; F33-L37 WeakPolarHBondContact O-CG 3.35Å; F33-L37 PolarHBondContact O-N 3.42Å; I34-L37 PolarHBondContact O-N 3.48Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 3.07Å; L37-Y40 PolarHBondContact O-N 3.37Å; L37-G41 PolarHBondContact O-N 2.93Å; L37-G41 VanDerWaalsContact O-N 3.14Å; L37-A42 HydrophobicContact CB-CB 4.09Å; L37-A42 HydrophobicContact CD2-CB 3.79Å; L37-A42 WeakPolarHBondContact O-CB 3.38Å; L37-A42 PolarHBondContact O-N 3.16Å; L37-V45 HydrophobicContact CD1-CG2 3.47Å; L37-V45 VanDerWaalsContact CD1-CG2 3.47Å; L37-V45 HydrophobicContact CD2-CG2 3.96Å; L37-V45 HydrophobicContact CG-CG2 4.38Å; L37-L58 HydrophobicContact CD1-CD2 3.92Å; L37-I63 HydrophobicContact CB-CD1 3.9Å; L37-I63 HydrophobicContact CD1-CD1 3.92Å; L37-I63 HydrophobicContact CD1-CG2 4.47Å; L37-A101 HydrophobicContact CD2-CB 3.53Å
38K93.4Very high92.3Very high105 Ų10546 Ų4646%0.45725%0.248SC..Hα-helixtrans-62-40.6176.7-74.1178.9177.7-175.10112.3I34 E35 D36 Y40 G41 D61I34-K38 HydrophobicContact CG2-CD 4.23Å; I34-K38 WeakPolarHBondContact O-CG 3.48Å; I34-K38 PolarHBondContact O-N 2.99Å; E35-K38 PolarHBondContact O-N 3.33Å; D36-K38 VanDerWaalsContact C-N 3.33Å; D36-K38 PolarHBondContact O-N 2.79Å; K38-Y40 VanDerWaalsContact C-N 3.26Å; K38-Y40 PolarHBondContact O-N 3.07Å; K38-G41 PolarHBondContact O-N 2.74Å; K38-D61 WeakPolarHBondContact CE-OD1 3.35Å; K38-D61 IonicContact NZ-OD1 3.81Å; K38-D61 PolarHBondContact NZ-OD1 2.98Å
39K92.8Very high92.5Very high168 Ų16841 Ų4173%0.7321%0.213SC*.Hα-helixtrans-59.5-36.3177.2-178.7-179.6177.7-179.40112.6E35 D36 L37 G41E35-K39 WeakPolarHBondContact O-CB 3.36Å; E35-K39 PolarHBondContact O-N 2.96Å; D36-K39 WeakPolarHBondContact O-CB 3.29Å; D36-K39 PolarHBondContact O-N 3.39Å; D36-K39 VanDerWaalsContact O-N 3.16Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 3.07Å; K39-G41 VanDerWaalsContact C-N 3.32Å
40Y92.2Very high92.4Very high61 Ų6145.7 Ų45.724%0.23923%0.233CC..Hα-helixtrans-84.3-6.4175.5-71.8-78.7000113.5P9 R18 L20 D36 L37 K38P9-Y40 HydrophobicContact CB-CE2 4.14Å; P9-Y40 HydrophobicContact CG-CE2 4.34Å; R18-Y40 PolarHBondContact NH2-O 3.5Å; L20-Y40 HydrophobicContact CD1-CD1 4.04Å; L20-Y40 HydrophobicContact CD1-CD2 4.17Å; L20-Y40 HydrophobicContact CD1-CE1 4.27Å; L20-Y40 HydrophobicContact CD1-CE2 4.44Å; L20-Y40 HydrophobicContact CD1-CG 4Å; L20-Y40 HydrophobicContact CD2-CD2 3.81Å; L20-Y40 HydrophobicContact CD2-CG 3.9Å; D36-Y40 WeakPolarHBondContact O-CD2 3.35Å; D36-Y40 PolarHBondContact O-N 2.86Å; D36-Y40 VanDerWaalsContact O-N 3.17Å; L37-Y40 PolarHBondContact O-N 3.37Å; K38-Y40 VanDerWaalsContact C-N 3.26Å; K38-Y40 PolarHBondContact O-N 3.07Å
41G92.6Very high92.3Very high32 Ų3249.3 Ų49.333%0.3326%0.255SS..THydrogen-bonded Turntrans72.232.4-175.100000112.7L37 K38 K39 T43 C99L37-G41 PolarHBondContact O-N 2.93Å; L37-G41 VanDerWaalsContact O-N 3.14Å; K38-G41 PolarHBondContact O-N 2.74Å; K39-G41 VanDerWaalsContact C-N 3.32Å; G41-T43 PolarHBondContact O-N 2.87Å; G41-C99 WeakPolarHBondContact O-CB 3.37Å; G41-C99 PolarHBondContact O-N 2.92Å
42A94.6Very high92.1Very high5 Ų547.1 Ų47.14%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-77.9116.3179.400000111.1L37 C99 A101L37-A42 HydrophobicContact CB-CB 4.09Å; L37-A42 HydrophobicContact CD2-CB 3.79Å; L37-A42 WeakPolarHBondContact O-CB 3.38Å; L37-A42 PolarHBondContact O-N 3.16Å; A42-C99 VanDerWaalsContact CA-O 3.24Å; A42-C99 WeakPolarHBondContact CA-O 3.4Å; A42-C99 HydrophobicContact CB-CB 4.22Å; A42-A101 HydrophobicContact CB-CB 4.16Å
43T94.8Very high92.1Very high43 Ų4344.3 Ų44.326%0.26423%0.225SC..EExtended strand (participates in β ladder)trans-99.2-19.3-179.359.30000112.2G41 I63 T64 C98 C99G41-T43 PolarHBondContact O-N 2.87Å; T43-I63 WeakPolarHBondContact O-CA 3.43Å; T43-T64 PolarHBondContact O-N 3.23Å; T43-C98 HydrophobicContact CG2-CB 4.24Å; T43-C99 PolarHBondContact N-O 3.14Å
44T96Very high92Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-135.2137.4-179.8-570000110.4T64 V66 L87 R91 V100 A101T44-T64 CarbonylContact C-O 3.49Å; T44-T64 VanDerWaalsContact CA-O 3.29Å; T44-T64 WeakPolarHBondContact CA-O 3.39Å; T44-V66 HydrophobicContact CG2-CG2 4.25Å; T44-L87 HydrophobicContact CG2-CD1 4.46Å; T44-L87 HydrophobicContact CG2-CD2 4.11Å; T44-R91 PolarHBondContact OG1-NE 3.41Å; T44-V100 HydrophobicContact CG2-CG1 4.43Å; T44-A101 PolarHBondContact O-N 2.84Å
45V95.7Very high92Very high0 Ų051.5 Ų51.50%026%0.261CS..EExtended strand (participates in β ladder)trans-120.1123.3175.4176.30000109.3L37 R47 L58 I63 T64 V65 V66 A101L37-V45 HydrophobicContact CD1-CG2 3.47Å; L37-V45 VanDerWaalsContact CD1-CG2 3.47Å; L37-V45 HydrophobicContact CD2-CG2 3.96Å; L37-V45 HydrophobicContact CG-CG2 4.38Å; V45-R47 HydrophobicContact CG1-CG 4.37Å; V45-L58 HydrophobicContact CB-CD2 4.38Å; V45-L58 HydrophobicContact CG2-CD2 3.97Å; V45-I63 HydrophobicContact CB-CG2 4.37Å; V45-I63 HydrophobicContact CG2-CG2 3.56Å; V45-T64 PolarHBondContact N-O 3.29Å; V45-V65 CarbonylContact O-C 3.59Å; V45-V65 WeakPolarHBondContact O-CA 3.24Å; V45-V66 PolarHBondContact O-N 2.77Å; V45-A101 CarbonylContact C-O 3.54Å; V45-A101 WeakPolarHBondContact CA-O 3.31Å; V45-A101 HydrophobicContact CG2-CB 4.02Å
46V95.6Very high92Very high0 Ų047.4 Ų47.40%025%0.25CC..EExtended strand (participates in β ladder)trans-103.6120175-177.20000109.8V48 V66 W68 W84 L87 V100 A101 V102 H103V46-V48 HydrophobicContact CG1-CG1 4.04Å; V46-V66 WeakPolarHBondContact CA-O 3.42Å; V46-V66 HydrophobicContact CG2-CB 4.37Å; V46-W68 HydrophobicContact CG1-CD2 4.28Å; V46-W68 HydrophobicContact CG1-CE3 3.47Å; V46-W68 VanDerWaalsContact CG1-CE3 3.47Å; V46-W68 HydrophobicContact CG1-CZ3 3.85Å; V46-W68 HydrophobicContact CG2-CZ3 4.24Å; V46-W84 HydrophobicContact CB-CZ3 4.4Å; V46-W84 HydrophobicContact CG2-CE3 4.18Å; V46-W84 HydrophobicContact CG2-CZ3 3.76Å; V46-L87 HydrophobicContact CG2-CD2 3.69Å; V46-V100 HydrophobicContact CG2-CG1 4.29Å; V46-A101 PolarHBondContact N-O 2.81Å; V46-V102 HydrophobicContact CB-CB 4.45Å; V46-V102 HydrophobicContact CB-CG2 4.15Å; V46-V102 HydrophobicContact CG1-CG2 4.4Å; V46-V102 WeakPolarHBondContact O-CA 3.42Å; V46-H103 PolarHBondContact O-N 2.88Å
47R94.3Very high92Very high8 Ų846.3 Ų46.33%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-98.5116.8177.3-43.6-163.5-73.6-171.9-3.4108.3V45 Y53 V65 V66 D67 W68 H103V45-R47 HydrophobicContact CG1-CG 4.37Å; R47-Y53 VanDerWaalsContact CD-OH 3.28Å; R47-Y53 WeakPolarHBondContact CD-OH 3.37Å; R47-Y53 PolarHBondContact NH1-O 2.95Å; R47-V65 HydrophobicContact CG-CG1 3.82Å; R47-V66 PolarHBondContact N-O 3.5Å; R47-D67 IonicContact CZ-OD1 3.29Å; R47-D67 IonicContact CZ-OD2 3.49Å; R47-D67 IonicContact NE-OD1 3.11Å; R47-D67 PolarHBondContact NE-OD1 2.91Å; R47-D67 IonicContact NE-OD2 3.73Å; R47-D67 IonicContact NH2-OD1 2.77Å; R47-D67 PolarHBondContact NH2-OD1 3.44Å; R47-D67 IonicContact NH2-OD2 3.89Å; R47-D67 PolarHBondContact NH2-OD2 2.91Å; R47-W68 PolarHBondContact O-N 2.99Å; R47-H103 VanDerWaalsContact CG-NE2 3.31Å; R47-H103 WeakPolarHBondContact CG-NE2 2.96Å
48V91.4Very high92Very high0 Ų046.3 Ų46.30%025%0.246CC..  trans-107.56.3-179.4-60.50000113.8V46 W68 F70 V102 H103 C104 R110 A111 L114V46-V48 HydrophobicContact CG1-CG1 4.04Å; V48-W68 WeakPolarHBondContact CA-O 3.42Å; V48-F70 HydrophobicContact CB-CD1 4.2Å; V48-F70 HydrophobicContact CB-CE1 3.66Å; V48-F70 HydrophobicContact CB-CZ 4.43Å; V48-F70 HydrophobicContact CG1-CE1 3.86Å; V48-F70 HydrophobicContact CG2-CE1 4.41Å; V48-V102 HydrophobicContact CG1-CG2 4.17Å; V48-H103 VanDerWaalsContact CG2-O 3.24Å; V48-H103 WeakPolarHBondContact CG2-O 3.44Å; V48-H103 PolarHBondContact N-O 2.76Å; V48-C104 HydrophobicContact CG2-CB 3.8Å; V48-R110 HydrophobicContact CB-CB 4.44Å; V48-R110 HydrophobicContact CG2-CB 3.67Å; V48-R110 PolarHBondContact O-NH1 2.89Å; V48-A111 HydrophobicContact CG2-CB 4.25Å; V48-L114 HydrophobicContact CG1-CD1 3.54Å
49C88.4Confident92Very high3 Ų345.4 Ų45.42%0.0224%0.243CC..SBendtrans-119179.1175.664.10000111.1C104 V105C49-C104 PolarHBondContact SG-O 2.61Å; C49-V105 HydrophobicContact CB-CG2 3.99Å
50E86.1Confident92Very high133 Ų13346.3 Ų46.362%0.62125%0.247SC*.  trans-52.7142.9171.5-66.6172-170.200111.1T52E50-T52 PolarHBondContact O-N 2.59Å
51V87.8Confident92Very high83 Ų8346.6 Ų46.650%0.50325%0.253SS..  trans-77.2116.6-179.1178.20000109.1
52T87.1Confident92Very high72 Ų7248 Ų4844%0.44227%0.267SS..  trans-116.6-3.1-178.863.60000113.9N24 E50N24-T52 PolarHBondContact ND2-OG1 3.32Å; N24-T52 PolarHBondContact OD1-OG1 2.96Å; E50-T52 PolarHBondContact O-N 2.59Å
53Y88.8Confident92Very high8 Ų848 Ų483%0.03127%0.266CS..SBendtrans-146.8153.7-178.566.9-89.4000111N24 P25 N27 L30 R47 L58 H103N24-Y53 WeakPolarHBondContact OD1-CE1 3.22Å; P25-Y53 HydrophobicContact CG-CD1 3.63Å; P25-Y53 HydrophobicContact CG-CD2 4.29Å; P25-Y53 HydrophobicContact CG-CE1 3.41Å; P25-Y53 VanDerWaalsContact CG-CE1 3.41Å; P25-Y53 HydrophobicContact CG-CE2 4.1Å; P25-Y53 HydrophobicContact CG-CG 4.07Å; N27-Y53 WeakPolarHBondContact OD1-CA 3.38Å; N27-Y53 WeakPolarHBondContact OD1-CB 3.31Å; L30-Y53 HydrophobicContact CD1-CD2 3.5Å; L30-Y53 HydrophobicContact CD1-CE2 3.86Å; L30-Y53 HydrophobicContact CD1-CG 4.15Å; L30-Y53 HydrophobicContact CD2-CD2 4.45Å; R47-Y53 VanDerWaalsContact CD-OH 3.28Å; R47-Y53 WeakPolarHBondContact CD-OH 3.37Å; R47-Y53 PolarHBondContact NH1-O 2.95Å; Y53-L58 HydrophobicContact CD2-CD1 4.24Å; Y53-L58 HydrophobicContact CE2-CD1 3.74Å; Y53-H103 AromaticContact CE1-CE1 3.63Å; Y53-H103 AromaticContact CE1-NE2 3.6Å; Y53-H103 AromaticContact CZ-NE2 3.59Å; Y53-H103 PolarHBondContact OH-NE2 2.96Å
54D89.6Confident92Very high93 Ų9348.7 Ų48.750%0.49727%0.271SS..  trans-74.1137178.4-174.216.5000111.2A56 P57D54-A56 PolarHBondContact OD1-N 2.92Å; D54-A56 VanDerWaalsContact OD1-N 3.14Å; D54-A56 WeakPolarHBondContact OD2-CB 3.3Å; D54-P57 WeakPolarHBondContact O-CD 3.46Å
55K92.5Very high91.9Very high71 Ų7149.2 Ų49.231%0.30927%0.274SS..SBendtrans-85.5-16.417963.3176.3-169.3144.20113.1P57 L58 E59 V65K55-P57 VanDerWaalsContact C-CD 3.47Å; K55-P57 VanDerWaalsContact C-N 3.32Å; K55-L58 WeakPolarHBondContact O-CB 3.33Å; K55-L58 PolarHBondContact O-N 3.43Å; K55-E59 WeakPolarHBondContact CD-OE1 3.47Å; K55-E59 WeakPolarHBondContact CE-OE1 3.19Å; K55-E59 IonicContact NZ-OE1 3.84Å; K55-E59 PolarHBondContact NZ-OE1 3.32Å; K55-E59 IonicContact NZ-OE2 3.05Å; K55-E59 PolarHBondContact O-N 3.33Å; K55-V65 HydrophobicContact CB-CB 3.89Å; K55-V65 HydrophobicContact CB-CG1 3.98Å; K55-V65 HydrophobicContact CB-CG2 3.92Å; K55-V65 HydrophobicContact CD-CB 4.25Å; K55-V65 HydrophobicContact CD-CG1 4.47Å
56A92.7Very high91.9Very high47 Ų4750.5 Ų50.539%0.38828%0.282SS..Hα-helixtrans-54.6-39-177.100000113.9D54 L58 E59 K60D54-A56 PolarHBondContact OD1-N 2.92Å; D54-A56 VanDerWaalsContact OD1-N 3.14Å; D54-A56 WeakPolarHBondContact OD2-CB 3.3Å; A56-L58 PolarHBondContact O-N 3.45Å; A56-E59 PolarHBondContact O-N 3.49Å; A56-K60 VanDerWaalsContact O-CB 3.31Å; A56-K60 WeakPolarHBondContact O-CB 3.39Å; A56-K60 PolarHBondContact O-N 3.1Å
57P92.4Very high91.8Very high40 Ų4053.7 Ų53.726%0.2630%0.299SS..Hα-helixtrans-64.2-37.6174.6-25.538.3000113.4L30 I34 D54 K55 D61L30-P57 HydrophobicContact CD2-CB 3.88Å; L30-P57 HydrophobicContact CD2-CG 3.7Å; I34-P57 HydrophobicContact CD1-CB 3.93Å; D54-P57 WeakPolarHBondContact O-CD 3.46Å; K55-P57 VanDerWaalsContact C-CD 3.47Å; K55-P57 VanDerWaalsContact C-N 3.32Å; P57-D61 PolarHBondContact O-N 2.93Å
58L92.8Very high91.8Very high0 Ų055.4 Ų55.40%031%0.305CS..Hα-helixtrans-68-45176.5-76.886.7000111.2L30 F33 I34 L37 V45 Y53 K55 A56 K60 D61 G62 I63 V65L30-L58 HydrophobicContact CD1-CD1 3.66Å; L30-L58 HydrophobicContact CD2-CD1 4.33Å; L30-L58 HydrophobicContact CG-CD1 4.15Å; F33-L58 HydrophobicContact CD1-CD2 4.47Å; F33-L58 HydrophobicContact CE1-CD2 4.11Å; I34-L58 HydrophobicContact CD1-CD1 4.45Å; I34-L58 HydrophobicContact CD1-CG 4.41Å; I34-L58 HydrophobicContact CG1-CD1 4.38Å; I34-L58 HydrophobicContact CG1-CG 4.03Å; L37-L58 HydrophobicContact CD1-CD2 3.92Å; V45-L58 HydrophobicContact CB-CD2 4.38Å; V45-L58 HydrophobicContact CG2-CD2 3.97Å; Y53-L58 HydrophobicContact CD2-CD1 4.24Å; Y53-L58 HydrophobicContact CE2-CD1 3.74Å; K55-L58 WeakPolarHBondContact O-CB 3.33Å; K55-L58 PolarHBondContact O-N 3.43Å; A56-L58 PolarHBondContact O-N 3.45Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.3Å; L58-D61 CarbonylContact O-C 3.45Å; L58-D61 PolarHBondContact O-N 2.86Å; L58-D61 VanDerWaalsContact O-N 3.1Å; L58-G62 PolarHBondContact O-N 3.14Å; L58-I63 CarbonylContact C-O 3.5Å; L58-I63 HydrophobicContact CB-CB 4.16Å; L58-I63 HydrophobicContact CD2-CG2 4.24Å; L58-I63 WeakPolarHBondContact O-CB 3.32Å; L58-I63 PolarHBondContact O-N 3.04Å; L58-V65 HydrophobicContact CB-CG2 3.64Å; L58-V65 HydrophobicContact CD2-CG2 3.78Å; L58-V65 HydrophobicContact CG-CG2 4.25Å
59E93.7Very high91.7Very high87 Ų8761 Ų6141%0.40733%0.331SS..Hα-helixtrans-64.4-37.3179.7-69.7179.615900111.3K55 A56 D61 G62 I63K55-E59 WeakPolarHBondContact CD-OE1 3.47Å; K55-E59 WeakPolarHBondContact CE-OE1 3.19Å; K55-E59 IonicContact NZ-OE1 3.84Å; K55-E59 PolarHBondContact NZ-OE1 3.32Å; K55-E59 IonicContact NZ-OE2 3.05Å; K55-E59 PolarHBondContact O-N 3.33Å; A56-E59 PolarHBondContact O-N 3.49Å; E59-D61 PolarHBondContact O-N 3.43Å; E59-G62 PolarHBondContact O-N 2.96Å; E59-I63 WeakPolarHBondContact CA-O 3.31Å; E59-I63 PolarHBondContact N-O 2.8Å
60K93.4Very high91.8Very high186 Ų18661.3 Ų61.381%0.80933%0.332SS*.Hα-helixtrans-60.7-32.8173.6-174179.4179.5-177.70112.6A56 L58 G62A56-K60 VanDerWaalsContact O-CB 3.31Å; A56-K60 WeakPolarHBondContact O-CB 3.39Å; A56-K60 PolarHBondContact O-N 3.1Å; L58-K60 VanDerWaalsContact C-N 3.3Å; L58-K60 PolarHBondContact O-N 3.3Å; K60-G62 VanDerWaalsContact C-N 3.27Å
61D92.1Very high91.7Very high68 Ų6860.8 Ų60.836%0.36433%0.334SS..THydrogen-bonded Turntrans-88.611.7177-82.4-75000113.5I34 K38 P57 L58 E59 I63I34-D61 HydrophobicContact CG2-CB 3.91Å; K38-D61 WeakPolarHBondContact CE-OD1 3.35Å; K38-D61 IonicContact NZ-OD1 3.81Å; K38-D61 PolarHBondContact NZ-OD1 2.98Å; P57-D61 PolarHBondContact O-N 2.93Å; L58-D61 CarbonylContact O-C 3.45Å; L58-D61 PolarHBondContact O-N 2.86Å; L58-D61 VanDerWaalsContact O-N 3.1Å; E59-D61 PolarHBondContact O-N 3.43Å; D61-I63 VanDerWaalsContact C-N 3.34Å
62G91.6Very high91.3Very high60 Ų6062.2 Ų62.262%0.61934%0.339SS*.THydrogen-bonded Turntrans79.912.3176.300000114.4L58 E59 K60L58-G62 PolarHBondContact O-N 3.14Å; E59-G62 PolarHBondContact O-N 2.96Å; K60-G62 VanDerWaalsContact C-N 3.27Å
63I94.7Very high90.6Very high5 Ų559.7 Ų59.73%0.02633%0.327CS..  trans-95.5116.6179.8-54.1176.1000108.9I34 L37 T43 V45 L58 E59 D61I34-I63 HydrophobicContact CG2-CD1 4.26Å; L37-I63 HydrophobicContact CB-CD1 3.9Å; L37-I63 HydrophobicContact CD1-CD1 3.92Å; L37-I63 HydrophobicContact CD1-CG2 4.47Å; T43-I63 WeakPolarHBondContact O-CA 3.43Å; V45-I63 HydrophobicContact CB-CG2 4.37Å; V45-I63 HydrophobicContact CG2-CG2 3.56Å; L58-I63 CarbonylContact C-O 3.5Å; L58-I63 HydrophobicContact CB-CB 4.16Å; L58-I63 HydrophobicContact CD2-CG2 4.24Å; L58-I63 WeakPolarHBondContact O-CB 3.32Å; L58-I63 PolarHBondContact O-N 3.04Å; E59-I63 WeakPolarHBondContact CA-O 3.31Å; E59-I63 PolarHBondContact N-O 2.8Å; D61-I63 VanDerWaalsContact C-N 3.34Å
64T95.2Very high90.3Very high59 Ų5960.8 Ų60.836%0.36234%0.338SS..EExtended strand (participates in β ladder)trans-73.8128.7177.4-59.40000110.3T43 T44 V45 V66T43-T64 PolarHBondContact O-N 3.23Å; T44-T64 CarbonylContact C-O 3.49Å; T44-T64 VanDerWaalsContact CA-O 3.29Å; T44-T64 WeakPolarHBondContact CA-O 3.39Å; V45-T64 PolarHBondContact N-O 3.29Å; T64-V66 HydrophobicContact CG2-CG2 4.26Å
65V94.9Very high90.2Very high10 Ų1060 Ų606%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-109.3128.9177.7-1750000110.6V45 R47 K55 L58V45-V65 CarbonylContact O-C 3.59Å; V45-V65 WeakPolarHBondContact O-CA 3.24Å; R47-V65 HydrophobicContact CG-CG1 3.82Å; K55-V65 HydrophobicContact CB-CB 3.89Å; K55-V65 HydrophobicContact CB-CG1 3.98Å; K55-V65 HydrophobicContact CB-CG2 3.92Å; K55-V65 HydrophobicContact CD-CB 4.25Å; K55-V65 HydrophobicContact CD-CG1 4.47Å; L58-V65 HydrophobicContact CB-CG2 3.64Å; L58-V65 HydrophobicContact CD2-CG2 3.78Å; L58-V65 HydrophobicContact CG-CG2 4.25Å
66V94.8Very high90.1Very high27 Ų2756.9 Ų56.916%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-122.1131.7-178.9-175.60000110.3T44 V45 V46 R47 T64 W68T44-V66 HydrophobicContact CG2-CG2 4.25Å; V45-V66 PolarHBondContact O-N 2.77Å; V46-V66 WeakPolarHBondContact CA-O 3.42Å; V46-V66 HydrophobicContact CG2-CB 4.37Å; R47-V66 PolarHBondContact N-O 3.5Å; T64-V66 HydrophobicContact CG2-CG2 4.26Å; V66-W68 HydrophobicContact CG1-CD2 3.79Å; V66-W68 HydrophobicContact CG1-CE3 4.38Å; V66-W68 HydrophobicContact CG1-CG 4.24Å; V66-W68 HydrophobicContact CG1-CH2 4.12Å; V66-W68 HydrophobicContact CG1-CZ2 3.49Å; V66-W68 VanDerWaalsContact CG1-CZ2 3.49Å
67D93.9Very high90.1Very high68 Ų6857.6 Ų57.636%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-107.7108-176.6-70.2-53000111.8R47R47-D67 IonicContact CZ-OD1 3.29Å; R47-D67 IonicContact CZ-OD2 3.49Å; R47-D67 IonicContact NE-OD1 3.11Å; R47-D67 PolarHBondContact NE-OD1 2.91Å; R47-D67 IonicContact NE-OD2 3.73Å; R47-D67 IonicContact NH2-OD1 2.77Å; R47-D67 PolarHBondContact NH2-OD1 3.44Å; R47-D67 IonicContact NH2-OD2 3.89Å; R47-D67 PolarHBondContact NH2-OD2 2.91Å
68W93Very high90.1Very high43 Ų4360.3 Ų60.316%0.16335%0.345CS..  trans-129.467175.8-63.3-32000110.8V46 R47 V48 V66 F70 V80 D83 W84 L87V46-W68 HydrophobicContact CG1-CD2 4.28Å; V46-W68 HydrophobicContact CG1-CE3 3.47Å; V46-W68 VanDerWaalsContact CG1-CE3 3.47Å; V46-W68 HydrophobicContact CG1-CZ3 3.85Å; V46-W68 HydrophobicContact CG2-CZ3 4.24Å; R47-W68 PolarHBondContact O-N 2.99Å; V48-W68 WeakPolarHBondContact CA-O 3.42Å; V66-W68 HydrophobicContact CG1-CD2 3.79Å; V66-W68 HydrophobicContact CG1-CE3 4.38Å; V66-W68 HydrophobicContact CG1-CG 4.24Å; V66-W68 HydrophobicContact CG1-CH2 4.12Å; V66-W68 HydrophobicContact CG1-CZ2 3.49Å; V66-W68 VanDerWaalsContact CG1-CZ2 3.49Å; W68-F70 WeakPolarHBondContact O-CD1 3.41Å; W68-F70 PolarHBondContact O-N 2.78Å; W68-V80 HydrophobicContact CB-CG1 3.9Å; W68-V80 HydrophobicContact CB-CG2 4.22Å; W68-V80 HydrophobicContact CE3-CG1 4.38Å; W68-V80 HydrophobicContact CG-CG1 4.4Å; W68-D83 VanDerWaalsContact CH2-C 3.43Å; W68-D83 HydrophobicContact CH2-CB 4.02Å; W68-D83 WeakPolarHBondContact CH2-O 3.42Å; W68-D83 HydrophobicContact CZ2-CB 3.53Å; W68-W84 HydrophobicContact CE3-CB 4.37Å; W68-W84 HydrophobicContact CH2-CB 4.34Å; W68-W84 HydrophobicContact CZ3-CB 3.7Å; W68-W84 HydrophobicContact CZ3-CD2 4.49Å; W68-W84 AromaticContact CZ3-CE3 3.88Å; W68-W84 HydrophobicContact CZ3-CE3 3.88Å; W68-W84 HydrophobicContact CZ3-CG 4.49Å; W68-L87 HydrophobicContact CH2-CB 3.85Å; W68-L87 HydrophobicContact CH2-CD2 3.61Å; W68-L87 HydrophobicContact CH2-CG 4.33Å; W68-L87 HydrophobicContact CZ3-CD2 4.08Å
69Q90.7Very high90.1Very high117 Ų11767.5 Ų67.555%0.54738%0.377SS..  trans-59.6134.5175.4172.9176-8.500111.5
70F89.3Confident90.1Very high10 Ų1064 Ų644%0.04436%0.361CS..  trans-148.4161.2164.962.5-87.6000111.1V48 W68 P76 P77 V80 R110V48-F70 HydrophobicContact CB-CD1 4.2Å; V48-F70 HydrophobicContact CB-CE1 3.66Å; V48-F70 HydrophobicContact CB-CZ 4.43Å; V48-F70 HydrophobicContact CG1-CE1 3.86Å; V48-F70 HydrophobicContact CG2-CE1 4.41Å; W68-F70 WeakPolarHBondContact O-CD1 3.41Å; W68-F70 PolarHBondContact O-N 2.78Å; F70-P76 HydrophobicContact CD2-CB 4.43Å; F70-P76 HydrophobicContact CE1-CB 4.25Å; F70-P76 HydrophobicContact CE2-CB 4.03Å; F70-P76 HydrophobicContact CZ-CB 3.93Å; F70-P77 HydrophobicContact CB-CG 4.02Å; F70-V80 HydrophobicContact CD1-CG1 4.27Å; F70-V80 HydrophobicContact CE1-CG1 4.36Å; F70-R110 HydrophobicContact CD2-CG 4.14Å; F70-R110 HydrophobicContact CE1-CB 4.28Å; F70-R110 HydrophobicContact CE2-CB 3.79Å; F70-R110 HydrophobicContact CE2-CG 3.49Å; F70-R110 VanDerWaalsContact CE2-CG 3.49Å; F70-R110 HydrophobicContact CZ-CB 3.51Å; F70-R110 HydrophobicContact CZ-CG 3.79Å; F70-R110 VanDerWaalsContact O-CD 3.24Å; F70-R110 WeakPolarHBondContact O-CD 3.33Å; F70-R110 PolarHBondContact O-NH1 3.18Å
71D84.7Confident90.2Very high123 Ų12355.6 Ų55.666%0.65833%0.325SS*.  trans-62.8144.3-170.8-64.9-20.3000113.5A74D71-A74 HydrophobicContact CB-CB 3.85Å; D71-A74 PolarHBondContact O-N 2.82Å
72D78.9Confident90.2Very high112 Ų11255.9 Ų55.960%0.59933%0.325SS*.THydrogen-bonded Turntrans-70.8135.9-179.8-160.941.9000112A74 R110D72-A74 PolarHBondContact O-N 3.04Å; D72-A74 VanDerWaalsContact O-N 3.1Å; D72-R110 IonicContact OD1-CZ 2.77Å; D72-R110 IonicContact OD1-NE 2.87Å; D72-R110 PolarHBondContact OD1-NE 3.47Å; D72-R110 IonicContact OD1-NH2 3.86Å
73G73.8Confident90.4Very high19 Ų1956 Ų5620%0.19631%0.311CS..THydrogen-bonded Turntrans70-3.9-176.100000115.4
74A82Confident90.5Very high32 Ų3255.7 Ų55.726%0.26431%0.309SS..SBendtrans-83153.6169.400000110.9D71 D72D71-A74 HydrophobicContact CB-CB 3.85Å; D71-A74 PolarHBondContact O-N 2.82Å; D72-A74 PolarHBondContact O-N 3.04Å; D72-A74 VanDerWaalsContact O-N 3.1Å
75P86.3Confident90.4Very high75 Ų7553 Ų5349%0.48729%0.293SS..PPolyproline II helixtrans-64.8146.5168.128.8-34000110.4Y148P75-Y148 HydrophobicContact CB-CD1 4.46Å; P75-Y148 HydrophobicContact CB-CD2 3.37Å; P75-Y148 HydrophobicContact CB-CE2 3.66Å; P75-Y148 HydrophobicContact CB-CG 3.81Å; P75-Y148 HydrophobicContact CG-CD2 4.47Å
76P91.1Very high90.4Very high6 Ų656.2 Ų56.24%0.03932%0.315CS..PPolyproline II helixtrans-62.2136.2176.626.2-33.4000110.2F70 V81 V113 L114 L117 Y148F70-P76 HydrophobicContact CD2-CB 4.43Å; F70-P76 HydrophobicContact CE1-CB 4.25Å; F70-P76 HydrophobicContact CE2-CB 4.03Å; F70-P76 HydrophobicContact CZ-CB 3.93Å; P76-V81 HydrophobicContact CB-CG2 3.84Å; P76-V81 HydrophobicContact CG-CG2 3.68Å; P76-V113 HydrophobicContact CG-CG1 4.09Å; P76-L114 HydrophobicContact CB-CD2 4.1Å; P76-L114 HydrophobicContact CG-CD2 4.35Å; P76-L117 HydrophobicContact CG-CD1 3.88Å; P76-Y148 HydrophobicContact CG-CE1 3.89Å
77P93.3Very high90.4Very high62 Ų6256 Ų5640%0.40331%0.314SS..PPolyproline II helixtrans-57.4145.8175.6-23.832.4000111.5F70 K79 V80 V81F70-P77 HydrophobicContact CB-CG 4.02Å; P77-K79 PolarHBondContact O-N 3.47Å; P77-K79 VanDerWaalsContact O-N 3.14Å; P77-V80 HydrophobicContact CB-CG2 4.2Å; P77-V80 HydrophobicContact CG-CG2 4.15Å; P77-V80 WeakPolarHBondContact O-CB 3.29Å; P77-V80 PolarHBondContact O-N 2.87Å; P77-V81 PolarHBondContact O-N 2.81Å; P77-V81 VanDerWaalsContact O-N 3.08Å
78S91.6Very high90.4Very high97 Ų9752.8 Ų52.868%0.67830%0.296SS*.Hα-helixtrans-51.9-42.9-178.7-57.60000112.4V80 V81 E82S78-V80 PolarHBondContact O-N 2.99Å; S78-V81 WeakPolarHBondContact O-CB 3.45Å; S78-V81 PolarHBondContact O-N 2.91Å; S78-E82 VanDerWaalsContact O-CG 3.32Å; S78-E82 WeakPolarHBondContact O-CG 3.47Å; S78-E82 PolarHBondContact O-N 2.8Å
79K92.9Very high90.3Very high152 Ų15258.2 Ų58.266%0.66132%0.317SS*.Hα-helixtrans-58.9-45.5177.5-173.7175.9179.4-1760112.6P77 V81 E82 D83P77-K79 PolarHBondContact O-N 3.47Å; P77-K79 VanDerWaalsContact O-N 3.14Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 2.96Å; K79-E82 PolarHBondContact O-N 2.83Å; K79-E82 VanDerWaalsContact O-N 3.16Å; K79-D83 WeakPolarHBondContact O-CB 3.38Å; K79-D83 VanDerWaalsContact O-CG 3.26Å; K79-D83 PolarHBondContact O-N 3.35Å
80V94.3Very high90.3Very high14 Ų1454.3 Ų54.39%0.08530%0.302CS..Hα-helixtrans-61.3-40.8176.9174.50000111W68 F70 P77 S78 W84 L114W68-V80 HydrophobicContact CB-CG1 3.9Å; W68-V80 HydrophobicContact CB-CG2 4.22Å; W68-V80 HydrophobicContact CE3-CG1 4.38Å; W68-V80 HydrophobicContact CG-CG1 4.4Å; F70-V80 HydrophobicContact CD1-CG1 4.27Å; F70-V80 HydrophobicContact CE1-CG1 4.36Å; P77-V80 HydrophobicContact CB-CG2 4.2Å; P77-V80 HydrophobicContact CG-CG2 4.15Å; P77-V80 WeakPolarHBondContact O-CB 3.29Å; P77-V80 PolarHBondContact O-N 2.87Å; S78-V80 PolarHBondContact O-N 2.99Å; V80-W84 WeakPolarHBondContact O-CB 3.45Å; V80-W84 PolarHBondContact O-N 3.23Å; V80-L114 HydrophobicContact CG1-CD2 4.45Å
81V94.4Very high90.4Very high8 Ų856.7 Ų56.75%0.04831%0.311CS..Hα-helixtrans-63.5-43.7175.71780000111P76 P77 S78 K79 L85 L117 Y152P76-V81 HydrophobicContact CB-CG2 3.84Å; P76-V81 HydrophobicContact CG-CG2 3.68Å; P77-V81 PolarHBondContact O-N 2.81Å; P77-V81 VanDerWaalsContact O-N 3.08Å; S78-V81 WeakPolarHBondContact O-CB 3.45Å; S78-V81 PolarHBondContact O-N 2.91Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 2.96Å; V81-L85 HydrophobicContact CG1-CD1 3.98Å; V81-L85 HydrophobicContact CG1-CG 4.47Å; V81-L85 WeakPolarHBondContact O-CG 3.35Å; V81-L85 PolarHBondContact O-N 3.42Å; V81-L117 HydrophobicContact CG1-CD1 4.05Å; V81-L117 HydrophobicContact CG2-CD1 3.75Å; V81-Y152 HydrophobicContact CG1-CE2 4.36Å
82E93.7Very high90.7Very high75 Ų7551.3 Ų51.335%0.3528%0.282SS..Hα-helixtrans-67.1-44.9-179.9-64.8-162.1139.800112.5S78 K79 W84 L85 S86 K155 R157S78-E82 VanDerWaalsContact O-CG 3.32Å; S78-E82 WeakPolarHBondContact O-CG 3.47Å; S78-E82 PolarHBondContact O-N 2.8Å; K79-E82 PolarHBondContact O-N 2.83Å; K79-E82 VanDerWaalsContact O-N 3.16Å; E82-W84 VanDerWaalsContact C-N 3.34Å; E82-W84 PolarHBondContact O-N 3.19Å; E82-L85 PolarHBondContact O-N 3.06Å; E82-S86 WeakPolarHBondContact O-CB 3.34Å; E82-S86 PolarHBondContact O-N 3.33Å; E82-K155 IonicContact OE1-NZ 2.61Å; E82-K155 PolarHBondContact OE1-NZ 3.06Å; E82-R157 IonicContact OE1-CZ 3.54Å; E82-R157 IonicContact OE1-NH1 3.28Å; E82-R157 PolarHBondContact OE1-NH1 2.91Å; E82-R157 IonicContact OE1-NH2 2.89Å; E82-R157 PolarHBondContact OE1-NH2 2.95Å
83D95.4Very high91.1Very high61 Ų6151.5 Ų51.533%0.32628%0.282SS..Hα-helixtrans-63.5-41177.3-67.2-22.4000110.9W68 K79 S86 L87W68-D83 VanDerWaalsContact CH2-C 3.43Å; W68-D83 HydrophobicContact CH2-CB 4.02Å; W68-D83 WeakPolarHBondContact CH2-O 3.42Å; W68-D83 HydrophobicContact CZ2-CB 3.53Å; K79-D83 WeakPolarHBondContact O-CB 3.38Å; K79-D83 VanDerWaalsContact O-CG 3.26Å; K79-D83 PolarHBondContact O-N 3.35Å; D83-S86 PolarHBondContact O-N 3.08Å; D83-L87 VanDerWaalsContact O-CB 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.37Å; D83-L87 PolarHBondContact O-N 3.18Å
84W95.8Very high91.8Very high0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-59.6-50.6174.6169.8-120.8000112.9L19 V46 W68 V80 E82 S86 L87 L88 V100 V102 L114 A118L19-W84 HydrophobicContact CD1-CZ2 4.43Å; L19-W84 HydrophobicContact CD2-CH2 3.86Å; L19-W84 HydrophobicContact CD2-CZ2 4.06Å; V46-W84 HydrophobicContact CB-CZ3 4.4Å; V46-W84 HydrophobicContact CG2-CE3 4.18Å; V46-W84 HydrophobicContact CG2-CZ3 3.76Å; W68-W84 HydrophobicContact CE3-CB 4.37Å; W68-W84 HydrophobicContact CH2-CB 4.34Å; W68-W84 HydrophobicContact CZ3-CB 3.7Å; W68-W84 HydrophobicContact CZ3-CD2 4.49Å; W68-W84 AromaticContact CZ3-CE3 3.88Å; W68-W84 HydrophobicContact CZ3-CE3 3.88Å; W68-W84 HydrophobicContact CZ3-CG 4.49Å; V80-W84 WeakPolarHBondContact O-CB 3.45Å; V80-W84 PolarHBondContact O-N 3.23Å; E82-W84 VanDerWaalsContact C-N 3.34Å; E82-W84 PolarHBondContact O-N 3.19Å; W84-S86 VanDerWaalsContact C-N 3.29Å; W84-S86 PolarHBondContact O-N 3.43Å; W84-L87 HydrophobicContact CE3-CD2 4.3Å; W84-L87 HydrophobicContact CZ3-CD2 4.49Å; W84-L87 PolarHBondContact O-N 3.4Å; W84-L88 HydrophobicContact CD2-CD1 4.09Å; W84-L88 HydrophobicContact CD2-CD2 4.45Å; W84-L88 HydrophobicContact CD2-CG 3.98Å; W84-L88 HydrophobicContact CE3-CD1 4.49Å; W84-L88 HydrophobicContact CE3-CD2 4.03Å; W84-L88 HydrophobicContact CE3-CG 3.98Å; W84-L88 HydrophobicContact CH2-CD1 4.13Å; W84-L88 HydrophobicContact CH2-CD2 3.61Å; W84-L88 HydrophobicContact CH2-CG 4.1Å; W84-L88 HydrophobicContact CZ2-CD1 3.58Å; W84-L88 HydrophobicContact CZ2-CD2 3.98Å; W84-L88 HydrophobicContact CZ2-CG 4.01Å; W84-L88 HydrophobicContact CZ3-CD2 3.61Å; W84-L88 HydrophobicContact CZ3-CG 4.07Å; W84-L88 WeakPolarHBondContact O-CG 3.37Å; W84-L88 PolarHBondContact O-N 2.93Å; W84-V100 HydrophobicContact CH2-CG1 4.01Å; W84-V100 HydrophobicContact CZ3-CG1 3.72Å; W84-V102 HydrophobicContact CH2-CB 4.47Å; W84-L114 HydrophobicContact CD2-CB 4.4Å; W84-L114 HydrophobicContact CD2-CD1 4.41Å; W84-L114 HydrophobicContact CG-CB 4.5Å; W84-L114 HydrophobicContact CG-CD1 4.42Å; W84-L114 HydrophobicContact CG-CD2 4.47Å; W84-L114 HydrophobicContact CZ2-CB 4.22Å; W84-L114 PolarHBondContact NE1-O 2.84Å; W84-A118 HydrophobicContact CZ2-CB 4.48Å
85L94.3Very high92.1Very high3 Ų358.8 Ų58.82%0.01631%0.308CS..Hα-helixtrans-66-35.6-179.7-64.3172.5000111.7V81 E82 R89 E121 L158V81-L85 HydrophobicContact CG1-CD1 3.98Å; V81-L85 HydrophobicContact CG1-CG 4.47Å; V81-L85 WeakPolarHBondContact O-CG 3.35Å; V81-L85 PolarHBondContact O-N 3.42Å; E82-L85 PolarHBondContact O-N 3.06Å; L85-R89 WeakPolarHBondContact O-CB 3.38Å; L85-R89 PolarHBondContact O-N 3.4Å; L85-R89 VanDerWaalsContact O-N 3.08Å; L85-E121 HydrophobicContact CD1-CG 3.7Å; L85-E121 HydrophobicContact CD2-CB 3.89Å; L85-E121 HydrophobicContact CD2-CG 3.68Å; L85-E121 HydrophobicContact CG-CG 4.34Å; L85-L158 HydrophobicContact CD2-CD1 3.61Å; L85-L158 HydrophobicContact CD2-CG 4.15Å
86S93.9Very high92.2Very high76 Ų7660.2 Ų60.253%0.53132%0.317SS..Hα-helixtrans-65.3-46.5175-166.90000111.5E82 D83 W84 L88 R89 S90E82-S86 WeakPolarHBondContact O-CB 3.34Å; E82-S86 PolarHBondContact O-N 3.33Å; D83-S86 PolarHBondContact O-N 3.08Å; W84-S86 VanDerWaalsContact C-N 3.29Å; W84-S86 PolarHBondContact O-N 3.43Å; S86-L88 PolarHBondContact O-N 3.17Å; S86-R89 PolarHBondContact O-N 3.08Å; S86-S90 PolarHBondContact O-N 2.98Å
87L94.6Very high91.9Very high24 Ų2461.6 Ų61.613%0.12633%0.333CS..Hα-helixtrans-57.8-50.7176.6177.773.2000111.2T44 V46 W68 D83 W84 R89 S90 R91T44-L87 HydrophobicContact CG2-CD1 4.46Å; T44-L87 HydrophobicContact CG2-CD2 4.11Å; V46-L87 HydrophobicContact CG2-CD2 3.69Å; W68-L87 HydrophobicContact CH2-CB 3.85Å; W68-L87 HydrophobicContact CH2-CD2 3.61Å; W68-L87 HydrophobicContact CH2-CG 4.33Å; W68-L87 HydrophobicContact CZ3-CD2 4.08Å; D83-L87 VanDerWaalsContact O-CB 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.37Å; D83-L87 PolarHBondContact O-N 3.18Å; W84-L87 HydrophobicContact CE3-CD2 4.3Å; W84-L87 HydrophobicContact CZ3-CD2 4.49Å; W84-L87 PolarHBondContact O-N 3.4Å; L87-R89 VanDerWaalsContact C-N 3.29Å; L87-R89 PolarHBondContact O-N 3.35Å; L87-S90 PolarHBondContact O-N 3.14Å; L87-R91 HydrophobicContact CD1-CG 3.99Å; L87-R91 HydrophobicContact CG-CG 4.28Å; L87-R91 WeakPolarHBondContact O-CB 3.24Å; L87-R91 VanDerWaalsContact O-CG 3.29Å; L87-R91 WeakPolarHBondContact O-CG 3.46Å; L87-R91 PolarHBondContact O-N 3.01Å
88L93.6Very high91.8Very high0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-59.9-42.1179-70-169.2000111.9L19 W84 S86 F92 V100 A118 L158L19-L88 HydrophobicContact CD2-CD1 4.21Å; L19-L88 HydrophobicContact CD2-CD2 3.69Å; W84-L88 HydrophobicContact CD2-CD1 4.09Å; W84-L88 HydrophobicContact CD2-CD2 4.45Å; W84-L88 HydrophobicContact CD2-CG 3.98Å; W84-L88 HydrophobicContact CE3-CD1 4.49Å; W84-L88 HydrophobicContact CE3-CD2 4.03Å; W84-L88 HydrophobicContact CE3-CG 3.98Å; W84-L88 HydrophobicContact CH2-CD1 4.13Å; W84-L88 HydrophobicContact CH2-CD2 3.61Å; W84-L88 HydrophobicContact CH2-CG 4.1Å; W84-L88 HydrophobicContact CZ2-CD1 3.58Å; W84-L88 HydrophobicContact CZ2-CD2 3.98Å; W84-L88 HydrophobicContact CZ2-CG 4.01Å; W84-L88 HydrophobicContact CZ3-CD2 3.61Å; W84-L88 HydrophobicContact CZ3-CG 4.07Å; W84-L88 WeakPolarHBondContact O-CG 3.37Å; W84-L88 PolarHBondContact O-N 2.93Å; S86-L88 PolarHBondContact O-N 3.17Å; L88-F92 HydrophobicContact CB-CD2 4.09Å; L88-F92 HydrophobicContact CB-CE2 3.96Å; L88-F92 HydrophobicContact CD1-CE2 4.34Å; L88-F92 HydrophobicContact CD2-CE2 3.68Å; L88-F92 HydrophobicContact CD2-CZ 4.1Å; L88-F92 HydrophobicContact CG-CE2 4.2Å; L88-F92 WeakPolarHBondContact O-CB 3.17Å; L88-F92 WeakPolarHBondContact O-CD2 3.4Å; L88-F92 WeakPolarHBondContact O-CG 3.47Å; L88-F92 PolarHBondContact O-N 3.16Å; L88-V100 HydrophobicContact CD2-CB 3.93Å; L88-V100 HydrophobicContact CD2-CG1 3.96Å; L88-V100 HydrophobicContact CD2-CG2 3.9Å; L88-A118 HydrophobicContact CD1-CB 3.41Å; L88-A118 VanDerWaalsContact CD1-CB 3.41Å; L88-L158 HydrophobicContact CB-CD1 4.47Å; L88-L158 HydrophobicContact CB-CD2 4.24Å; L88-L158 HydrophobicContact CD1-CD1 4.12Å
89R91.3Very high91.9Very high157 Ų15754.3 Ų54.359%0.59228%0.283SS*.Hα-helixtrans-62.9-46.1179.1-175.8175.4174.4162.8-6.1112.2L85 S86 L87 L93 R157 L158L85-R89 WeakPolarHBondContact O-CB 3.38Å; L85-R89 PolarHBondContact O-N 3.4Å; L85-R89 VanDerWaalsContact O-N 3.08Å; S86-R89 PolarHBondContact O-N 3.08Å; L87-R89 VanDerWaalsContact C-N 3.29Å; L87-R89 PolarHBondContact O-N 3.35Å; R89-L93 WeakPolarHBondContact O-CB 3.36Å; R89-L93 PolarHBondContact O-N 3.36Å; R89-R157 PolarHBondContact NH1-O 2.97Å; R89-L158 HydrophobicContact CB-CD2 3.86Å
90S91.6Very high92.1Very high35 Ų3547 Ų4725%0.24525%0.251CS..Hα-helixtrans-66-48.5178144.60000110.5S86 L87 F92 L93 E94S86-S90 PolarHBondContact O-N 2.98Å; L87-S90 PolarHBondContact O-N 3.14Å; S90-F92 PolarHBondContact O-N 3.46Å; S90-L93 PolarHBondContact O-N 3.02Å; S90-L93 VanDerWaalsContact O-N 3.17Å; S90-E94 WeakPolarHBondContact O-CB 3.43Å; S90-E94 VanDerWaalsContact O-CG 3.31Å; S90-E94 WeakPolarHBondContact O-CG 3.21Å; S90-E94 PolarHBondContact O-N 2.98Å; S90-E94 VanDerWaalsContact OG-CD 3.28Å; S90-E94 PolarHBondContact OG-OE1 2.93Å
91R91.9Very high92.1Very high60 Ų6046.4 Ų46.423%0.22625%0.247CC..Hα-helixtrans-63-47.7-176.8-69.7-65.1-179.2-113.11.1113.7T44 L87 L93 E94 D95 V100T44-R91 PolarHBondContact OG1-NE 3.41Å; L87-R91 HydrophobicContact CD1-CG 3.99Å; L87-R91 HydrophobicContact CG-CG 4.28Å; L87-R91 WeakPolarHBondContact O-CB 3.24Å; L87-R91 VanDerWaalsContact O-CG 3.29Å; L87-R91 WeakPolarHBondContact O-CG 3.46Å; L87-R91 PolarHBondContact O-N 3.01Å; R91-L93 PolarHBondContact O-N 3.39Å; R91-E94 IonicContact NH1-OE2 2.87Å; R91-E94 PolarHBondContact NH1-OE2 3.45Å; R91-E94 PolarHBondContact O-N 2.92Å; R91-D95 PolarHBondContact O-N 3.31Å; R91-V100 HydrophobicContact CB-CG2 4.32Å
92F89.9Confident92.1Very high9 Ų946 Ų464%0.03925%0.245CC..Hα-helixtrans-75.1-9.9179.3-61.2-49.8000113.8M17 L19 L88 S90 C98 V100M17-F92 HydrophobicContact CB-CD2 4Å; M17-F92 HydrophobicContact CB-CE1 4.5Å; M17-F92 HydrophobicContact CB-CE2 3.51Å; M17-F92 HydrophobicContact CB-CZ 3.82Å; M17-F92 HydrophobicContact CG-CD2 3.56Å; M17-F92 HydrophobicContact CG-CE2 3.5Å; M17-F92 VanDerWaalsContact CG-CE2 3.5Å; M17-F92 HydrophobicContact CG-CG 4.38Å; M17-F92 HydrophobicContact CG-CZ 4.29Å; M17-F92 HydrophobicContact SD-CD2 4.24Å; M17-F92 HydrophobicContact SD-CE2 3.98Å; L19-F92 HydrophobicContact CD2-CE2 4.26Å; L19-F92 HydrophobicContact CD2-CZ 3.89Å; L19-F92 HydrophobicContact CG-CZ 4.49Å; L88-F92 HydrophobicContact CB-CD2 4.09Å; L88-F92 HydrophobicContact CB-CE2 3.96Å; L88-F92 HydrophobicContact CD1-CE2 4.34Å; L88-F92 HydrophobicContact CD2-CE2 3.68Å; L88-F92 HydrophobicContact CD2-CZ 4.1Å; L88-F92 HydrophobicContact CG-CE2 4.2Å; L88-F92 WeakPolarHBondContact O-CB 3.17Å; L88-F92 WeakPolarHBondContact O-CD2 3.4Å; L88-F92 WeakPolarHBondContact O-CG 3.47Å; L88-F92 PolarHBondContact O-N 3.16Å; S90-F92 PolarHBondContact O-N 3.46Å; F92-C98 WeakPolarHBondContact CE1-O 3.39Å; F92-V100 HydrophobicContact CE1-CG2 4.16Å; F92-V100 HydrophobicContact CZ-CB 4.45Å; F92-V100 HydrophobicContact CZ-CG2 4.02Å
93L88.2Confident92Very high116 Ų11642.5 Ų42.561%0.60723%0.229SC*.Hα-helixtrans-89.4-41.6171-174.969.5000111.5R89 S90 R91R89-L93 WeakPolarHBondContact O-CB 3.36Å; R89-L93 PolarHBondContact O-N 3.36Å; S90-L93 PolarHBondContact O-N 3.02Å; S90-L93 VanDerWaalsContact O-N 3.17Å; R91-L93 PolarHBondContact O-N 3.39Å
94E88.6Confident91.5Very high126 Ų12639.8 Ų39.859%0.58922%0.215SC*.Hα-helixtrans-70.4-42.6178.6-74.4163.4-159.900112.2S90 R91S90-E94 WeakPolarHBondContact O-CB 3.43Å; S90-E94 VanDerWaalsContact O-CG 3.31Å; S90-E94 WeakPolarHBondContact O-CG 3.21Å; S90-E94 PolarHBondContact O-N 2.98Å; S90-E94 VanDerWaalsContact OG-CD 3.28Å; S90-E94 PolarHBondContact OG-OE1 2.93Å; R91-E94 IonicContact NH1-OE2 2.87Å; R91-E94 PolarHBondContact NH1-OE2 3.45Å; R91-E94 PolarHBondContact O-N 2.92Å
95D88.1Confident90.6Very high79 Ų7943.9 Ų43.942%0.42224%0.24SC..SBendtrans-132.285.2-176.7-173.213.9000110.9R91 G97 C98R91-D95 PolarHBondContact O-N 3.31Å; D95-G97 PolarHBondContact O-N 3.38Å; D95-C98 HydrophobicContact CB-CB 3.88Å; D95-C98 VanDerWaalsContact O-CB 3.31Å; D95-C98 WeakPolarHBondContact O-CB 3.36Å; D95-C98 PolarHBondContact O-N 3.25Å; D95-C98 VanDerWaalsContact O-N 3.11Å; D95-C98 PolarHBondContact O-SG 2.91Å; D95-C98 WeakPolarHBondContact OD2-CB 3.4Å
96P87Confident89.4Confident105 Ų10546.3 Ų46.368%0.68226%0.26SS*.THydrogen-bonded Turntrans-59.6119.5179-24.234.6000111.8
97G84.9Confident87.9Confident35 Ų3542.7 Ų42.736%0.36123%0.234SC..THydrogen-bonded Turntrans94.9-0.9-179.900000114.6R18 D95R18-G97 PolarHBondContact NH1-O 3.17Å; D95-G97 PolarHBondContact O-N 3.38Å
98C90.9Very high86.6Confident5 Ų545 Ų453%0.03425%0.247CC..  trans-58.4158.7168.784.50000111.1T43 F92 D95T43-C98 HydrophobicContact CG2-CB 4.24Å; F92-C98 WeakPolarHBondContact CE1-O 3.39Å; D95-C98 HydrophobicContact CB-CB 3.88Å; D95-C98 VanDerWaalsContact O-CB 3.31Å; D95-C98 WeakPolarHBondContact O-CB 3.36Å; D95-C98 PolarHBondContact O-N 3.25Å; D95-C98 VanDerWaalsContact O-N 3.11Å; D95-C98 PolarHBondContact O-SG 2.91Å; D95-C98 WeakPolarHBondContact OD2-CB 3.4Å
99C95.1Very high85.9Confident0 Ų045.7 Ų45.70%025%0.254CS..EExtended strand (participates in β ladder)trans-111.1138.5173-174.60000110.9R18 L20 G41 A42 T43R18-C99 HydrophobicContact CB-CB 4.29Å; R18-C99 WeakPolarHBondContact O-CA 3.44Å; R18-C99 PolarHBondContact O-SG 2.94Å; L20-C99 VanDerWaalsContact CB-SG 3.58Å; G41-C99 WeakPolarHBondContact O-CB 3.37Å; G41-C99 PolarHBondContact O-N 2.92Å; A42-C99 VanDerWaalsContact CA-O 3.24Å; A42-C99 WeakPolarHBondContact CA-O 3.4Å; A42-C99 HydrophobicContact CB-CB 4.22Å; T43-C99 PolarHBondContact N-O 3.14Å
100V96.1Very high85.8Confident0 Ų039.3 Ų39.30%023%0.23CC..EExtended strand (participates in β ladder)trans-109.6115.8171-178.60000108.6R18 L19 L20 T44 V46 W84 L88 R91 F92R18-V100 PolarHBondContact O-N 2.79Å; L19-V100 WeakPolarHBondContact CA-O 3.4Å; L19-V100 HydrophobicContact CD2-CB 3.99Å; L20-V100 PolarHBondContact N-O 3.49Å; T44-V100 HydrophobicContact CG2-CG1 4.43Å; V46-V100 HydrophobicContact CG2-CG1 4.29Å; W84-V100 HydrophobicContact CH2-CG1 4.01Å; W84-V100 HydrophobicContact CZ3-CG1 3.72Å; L88-V100 HydrophobicContact CD2-CB 3.93Å; L88-V100 HydrophobicContact CD2-CG1 3.96Å; L88-V100 HydrophobicContact CD2-CG2 3.9Å; R91-V100 HydrophobicContact CB-CG2 4.32Å; F92-V100 HydrophobicContact CE1-CG2 4.16Å; F92-V100 HydrophobicContact CZ-CB 4.45Å; F92-V100 HydrophobicContact CZ-CG2 4.02Å
101A95.6Very high85.8Confident0 Ų037.7 Ų37.70%022%0.218CC..EExtended strand (participates in β ladder)trans-86.5143.1176.600000110.9L20 L37 A42 T44 V45 V46L20-A101 HydrophobicContact CB-CB 4.18Å; L20-A101 HydrophobicContact CD2-CB 4.38Å; L20-A101 CarbonylContact O-C 3.48Å; L20-A101 VanDerWaalsContact O-CA 3.24Å; L20-A101 WeakPolarHBondContact O-CA 3.46Å; L37-A101 HydrophobicContact CD2-CB 3.53Å; A42-A101 HydrophobicContact CB-CB 4.16Å; T44-A101 PolarHBondContact O-N 2.84Å; V45-A101 CarbonylContact C-O 3.54Å; V45-A101 WeakPolarHBondContact CA-O 3.31Å; V45-A101 HydrophobicContact CG2-CB 4.02Å; V46-A101 PolarHBondContact N-O 2.81Å
102V94.6Very high85.8Confident0 Ų034.8 Ų34.80%021%0.207CC..EExtended strand (participates in β ladder)trans-135.3134.2174.365.80000109.9L20 I21 T22 V46 V48 W84 A111 L114 V115L20-V102 PolarHBondContact O-N 2.77Å; I21-V102 WeakPolarHBondContact CA-O 3.32Å; I21-V102 HydrophobicContact CG1-CG1 4.43Å; T22-V102 PolarHBondContact N-O 2.87Å; V46-V102 HydrophobicContact CB-CB 4.45Å; V46-V102 HydrophobicContact CB-CG2 4.15Å; V46-V102 HydrophobicContact CG1-CG2 4.4Å; V46-V102 WeakPolarHBondContact O-CA 3.42Å; V48-V102 HydrophobicContact CG1-CG2 4.17Å; W84-V102 HydrophobicContact CH2-CB 4.47Å; V102-A111 HydrophobicContact CB-CB 4.49Å; V102-A111 HydrophobicContact CG1-CB 4.07Å; V102-A111 HydrophobicContact CG2-CB 3.92Å; V102-L114 HydrophobicContact CG2-CD1 4.37Å; V102-V115 HydrophobicContact CG1-CG2 3.64Å
103H90.9Very high86Confident1 Ų134.4 Ų34.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-140.3151.1177.581.282.2000112.7T22 N24 V46 R47 V48 Y53T22-H103 WeakPolarHBondContact OG1-CB 3.31Å; N24-H103 PolarHBondContact OD1-CE1 2.92Å; N24-H103 VanDerWaalsContact OD1-CE1 3.24Å; V46-H103 PolarHBondContact O-N 2.88Å; R47-H103 VanDerWaalsContact CG-NE2 3.31Å; R47-H103 WeakPolarHBondContact CG-NE2 2.96Å; V48-H103 VanDerWaalsContact CG2-O 3.24Å; V48-H103 WeakPolarHBondContact CG2-O 3.44Å; V48-H103 PolarHBondContact N-O 2.76Å; Y53-H103 AromaticContact CE1-CE1 3.63Å; Y53-H103 AromaticContact CE1-NE2 3.6Å; Y53-H103 AromaticContact CZ-NE2 3.59Å; Y53-H103 PolarHBondContact OH-NE2 2.96Å
104C84.3Confident86.3Confident5 Ų528.9 Ų28.93%0.03418%0.177CC..  trans-116.1-137.6168.2-178.40000106.2N24 V48 C49 R110 A111N24-C104 WeakPolarHBondContact CB-O 3.26Å; V48-C104 HydrophobicContact CG2-CB 3.8Å; C49-C104 PolarHBondContact SG-O 2.61Å; C104-R110 HydrophobicContact CB-CB 4.24Å; C104-R110 PolarHBondContact SG-NE 2.75Å; C104-R110 PolarHBondContact SG-NH2 3Å; C104-A111 HydrophobicContact CB-CB 4.18Å
105V76.4Confident86.6Confident86 Ų8622.9 Ų22.952%0.52115%0.149SC..SBendtrans-82.7-72.2174.5-173.90000110.5N24 C49N24-V105 WeakPolarHBondContact CB-O 3.42Å; N24-V105 PolarHBondContact N-O 3.2Å; C49-V105 HydrophobicContact CB-CG2 3.99Å
106A69.3Low87Confident53 Ų5319.1 Ų19.144%0.43813%0.128SC..SBendtrans-93.6-0.7177.800000113.4L108 R137A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 HydrophobicContact CB-CD1 4.38Å; A106-L108 PolarHBondContact O-N 2.79Å; A106-R137 PolarHBondContact O-NH2 2.9Å
107G62.4Low87.4Confident0 Ų014.1 Ų14.10%010%0.096CC..SBendtrans65.318.2-178.700000115.7P112 R137G107-P112 WeakPolarHBondContact O-CD 3.39Å; G107-P112 VanDerWaalsContact O-CG 3.23Å; G107-P112 WeakPolarHBondContact O-CG 3.31Å; G107-R137 WeakPolarHBondContact O-CD 3.33Å; G107-R137 PolarHBondContact O-NE 3.5Å; G107-R137 VanDerWaalsContact O-NE 3.14Å; G107-R137 PolarHBondContact O-NH1 2.75Å
108L67.9Low87.9Confident73 Ų7312.4 Ų12.438%0.3828%0.079SC..SBendtrans-101.6-22.8-176.7-66.6171.7000114.6A106 R137 A140 I141A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 HydrophobicContact CB-CD1 4.38Å; A106-L108 PolarHBondContact O-N 2.79Å; L108-R137 HydrophobicContact CD2-CG 3.9Å; L108-A140 WeakPolarHBondContact O-CA 3.18Å; L108-I141 PolarHBondContact O-N 3.04Å
109G79.6Confident88Confident15 Ų1512.2 Ų12.216%0.1558%0.077CC..SBendtrans-105.2-93.7-175.500000113.1A111 P112 Q145G109-A111 PolarHBondContact O-N 3.2Å; G109-P112 VanDerWaalsContact O-CD 3.32Å; G109-P112 WeakPolarHBondContact O-CD 3.46Å; G109-Q145 VanDerWaalsContact C-NE2 3.34Å; G109-Q145 PolarHBondContact O-NE2 2.91Å
110R87.8Confident88Confident23 Ų2312.7 Ų12.79%0.0878%0.08CC..Hα-helixtrans-58.7-44.8-169.7-67.2176.7-98.3172.32.6114.6V48 F70 D72 C104 V113 L114V48-R110 HydrophobicContact CB-CB 4.44Å; V48-R110 HydrophobicContact CG2-CB 3.67Å; V48-R110 PolarHBondContact O-NH1 2.89Å; F70-R110 HydrophobicContact CD2-CG 4.14Å; F70-R110 HydrophobicContact CE1-CB 4.28Å; F70-R110 HydrophobicContact CE2-CB 3.79Å; F70-R110 HydrophobicContact CE2-CG 3.49Å; F70-R110 VanDerWaalsContact CE2-CG 3.49Å; F70-R110 HydrophobicContact CZ-CB 3.51Å; F70-R110 HydrophobicContact CZ-CG 3.79Å; F70-R110 VanDerWaalsContact O-CD 3.24Å; F70-R110 WeakPolarHBondContact O-CD 3.33Å; F70-R110 PolarHBondContact O-NH1 3.18Å; D72-R110 IonicContact OD1-CZ 2.77Å; D72-R110 IonicContact OD1-NE 2.87Å; D72-R110 PolarHBondContact OD1-NE 3.47Å; D72-R110 IonicContact OD1-NH2 3.86Å; C104-R110 HydrophobicContact CB-CB 4.24Å; C104-R110 PolarHBondContact SG-NE 2.75Å; C104-R110 PolarHBondContact SG-NH2 3Å; R110-V113 WeakPolarHBondContact O-CB 3.34Å; R110-V113 PolarHBondContact O-N 3.37Å; R110-L114 PolarHBondContact O-N 3.24Å
111A91.6Very high87.9Confident0 Ų012.7 Ų12.70%08%0.08CC..Hα-helixtrans-63.6-49.6-177.500000113I21 V48 V102 C104 G109 V113 L114 V115I21-A111 HydrophobicContact CG2-CB 4.09Å; V48-A111 HydrophobicContact CG2-CB 4.25Å; V102-A111 HydrophobicContact CB-CB 4.49Å; V102-A111 HydrophobicContact CG1-CB 4.07Å; V102-A111 HydrophobicContact CG2-CB 3.92Å; C104-A111 HydrophobicContact CB-CB 4.18Å; G109-A111 PolarHBondContact O-N 3.2Å; A111-V113 PolarHBondContact O-N 3.24Å; A111-L114 PolarHBondContact O-N 3.05Å; A111-V115 PolarHBondContact O-N 3.49Å
112P93.1Very high87.7Confident0 Ų012.7 Ų12.70%08%0.08CC..Hα-helixtrans-52.2-34.4170.6-33.737.5000115.6I21 G107 G109 V115 A116 I133 A140 I141I21-P112 HydrophobicContact CD1-CG 4.3Å; I21-P112 HydrophobicContact CG2-CG 4.41Å; G107-P112 WeakPolarHBondContact O-CD 3.39Å; G107-P112 VanDerWaalsContact O-CG 3.23Å; G107-P112 WeakPolarHBondContact O-CG 3.31Å; G109-P112 VanDerWaalsContact O-CD 3.32Å; G109-P112 WeakPolarHBondContact O-CD 3.46Å; P112-V115 PolarHBondContact O-N 3.42Å; P112-A116 WeakPolarHBondContact O-CB 3.45Å; P112-A116 PolarHBondContact O-N 3.47Å; P112-I133 HydrophobicContact CB-CG2 4.1Å; P112-I133 WeakPolarHBondContact O-CD1 3.28Å; P112-A140 HydrophobicContact CB-CB 4.07Å; P112-A140 HydrophobicContact CG-CB 3.96Å; P112-I141 HydrophobicContact CB-CD1 4.46Å; P112-I141 HydrophobicContact CB-CG1 3.79Å
113V93.9Very high87.6Confident0 Ų014.4 Ų14.40%010%0.098CC..Hα-helixtrans-65.8-43178.8176.70000111.5P76 R110 A111 V115 A116 L117 Q145 Y148 L149P76-V113 HydrophobicContact CG-CG1 4.09Å; R110-V113 WeakPolarHBondContact O-CB 3.34Å; R110-V113 PolarHBondContact O-N 3.37Å; A111-V113 PolarHBondContact O-N 3.24Å; V113-V115 VanDerWaalsContact C-N 3.33Å; V113-V115 PolarHBondContact O-N 3.23Å; V113-A116 WeakPolarHBondContact O-CB 3.24Å; V113-A116 PolarHBondContact O-N 3.48Å; V113-L117 HydrophobicContact CG1-CD1 4.44Å; V113-L117 WeakPolarHBondContact O-CG 3.44Å; V113-L117 PolarHBondContact O-N 3.32Å; V113-Q145 HydrophobicContact CG2-CB 3.76Å; V113-Q145 HydrophobicContact CG2-CG 3.7Å; V113-Y148 HydrophobicContact CG1-CD1 4.19Å; V113-Y148 HydrophobicContact CG1-CE1 4.13Å; V113-L149 HydrophobicContact CG1-CD2 4.37Å
114L94.8Very high87.7Confident0 Ų015.7 Ų15.70%010%0.104CC..Hα-helixtrans-64.2-39.2176-68.2-168.7000112V48 P76 V80 W84 V102 R110 A111 L117 A118V48-L114 HydrophobicContact CG1-CD1 3.54Å; P76-L114 HydrophobicContact CB-CD2 4.1Å; P76-L114 HydrophobicContact CG-CD2 4.35Å; V80-L114 HydrophobicContact CG1-CD2 4.45Å; W84-L114 HydrophobicContact CD2-CB 4.4Å; W84-L114 HydrophobicContact CD2-CD1 4.41Å; W84-L114 HydrophobicContact CG-CB 4.5Å; W84-L114 HydrophobicContact CG-CD1 4.42Å; W84-L114 HydrophobicContact CG-CD2 4.47Å; W84-L114 HydrophobicContact CZ2-CB 4.22Å; W84-L114 PolarHBondContact NE1-O 2.84Å; V102-L114 HydrophobicContact CG2-CD1 4.37Å; R110-L114 PolarHBondContact O-N 3.24Å; A111-L114 PolarHBondContact O-N 3.05Å; L114-L117 HydrophobicContact CD2-CD1 4.19Å; L114-L117 PolarHBondContact O-N 3.34Å; L114-A118 PolarHBondContact O-N 3.49Å
115V95.4Very high88.2Confident0 Ų022.3 Ų22.30%013%0.132CC..Hα-helixtrans-62.5-43.7173.9178.60000111V12 L19 I21 V102 A111 P112 V113 L117 A118 L119 I133V12-V115 HydrophobicContact CB-CG1 4.11Å; V12-V115 HydrophobicContact CG1-CG1 3.92Å; V12-V115 HydrophobicContact CG2-CG1 4.17Å; L19-V115 HydrophobicContact CB-CG1 4.43Å; L19-V115 HydrophobicContact CB-CG2 4.42Å; L19-V115 HydrophobicContact CD1-CB 4.42Å; L19-V115 HydrophobicContact CD1-CG1 3.9Å; L19-V115 HydrophobicContact CD1-CG2 4.37Å; I21-V115 HydrophobicContact CD1-CB 4.32Å; I21-V115 HydrophobicContact CD1-CG1 4.46Å; I21-V115 HydrophobicContact CD1-CG2 3.97Å; I21-V115 HydrophobicContact CG1-CG2 3.83Å; V102-V115 HydrophobicContact CG1-CG2 3.64Å; A111-V115 PolarHBondContact O-N 3.49Å; P112-V115 PolarHBondContact O-N 3.42Å; V113-V115 VanDerWaalsContact C-N 3.33Å; V113-V115 PolarHBondContact O-N 3.23Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.32Å; V115-A118 WeakPolarHBondContact O-CB 3.24Å; V115-A118 PolarHBondContact O-N 2.96Å; V115-L119 HydrophobicContact CG1-CD1 4.44Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.35Å; V115-L119 VanDerWaalsContact O-N 3.08Å; V115-I133 HydrophobicContact CB-CD1 4.14Å; V115-I133 HydrophobicContact CG1-CD1 3.95Å; V115-I133 HydrophobicContact CG1-CG1 4.15Å
116A95.4Very high89.1Confident0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-59.9-44.1176.800000111.6P112 V113 A118 L119 I120 I133 I141 L149P112-A116 WeakPolarHBondContact O-CB 3.45Å; P112-A116 PolarHBondContact O-N 3.47Å; V113-A116 WeakPolarHBondContact O-CB 3.24Å; V113-A116 PolarHBondContact O-N 3.48Å; A116-A118 VanDerWaalsContact C-N 3.32Å; A116-A118 PolarHBondContact O-N 2.97Å; A116-L119 PolarHBondContact O-N 2.91Å; A116-I120 WeakPolarHBondContact O-CD1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.5Å; A116-I120 PolarHBondContact O-N 2.97Å; A116-I133 HydrophobicContact CB-CD1 3.64Å; A116-I141 HydrophobicContact CB-CD1 4.36Å; A116-L149 HydrophobicContact CB-CD1 3.78Å; A116-L149 HydrophobicContact CB-CD2 3.9Å
117L95.3Very high90.3Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-59.5-41.4176.1-71173.8000112.2P76 V81 V113 L114 V115 I120 E121 Y148 L149 Y152P76-L117 HydrophobicContact CG-CD1 3.88Å; V81-L117 HydrophobicContact CG1-CD1 4.05Å; V81-L117 HydrophobicContact CG2-CD1 3.75Å; V113-L117 HydrophobicContact CG1-CD1 4.44Å; V113-L117 WeakPolarHBondContact O-CG 3.44Å; V113-L117 PolarHBondContact O-N 3.32Å; L114-L117 HydrophobicContact CD2-CD1 4.19Å; L114-L117 PolarHBondContact O-N 3.34Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.32Å; L117-I120 PolarHBondContact O-N 3.22Å; L117-E121 VanDerWaalsContact O-CB 3.3Å; L117-E121 WeakPolarHBondContact O-CB 3.26Å; L117-E121 WeakPolarHBondContact O-CG 3.4Å; L117-E121 PolarHBondContact O-N 3.28Å; L117-Y148 HydrophobicContact CD1-CE1 4.21Å; L117-Y148 HydrophobicContact CD2-CE1 4.04Å; L117-Y148 HydrophobicContact CG-CE1 4.46Å; L117-L149 HydrophobicContact CD2-CD2 3.95Å; L117-L149 HydrophobicContact CG-CD2 4.19Å; L117-Y152 HydrophobicContact CD2-CD1 3.72Å; L117-Y152 HydrophobicContact CD2-CD2 3.62Å; L117-Y152 HydrophobicContact CD2-CE1 3.68Å; L117-Y152 HydrophobicContact CD2-CE2 3.58Å; L117-Y152 HydrophobicContact CD2-CG 3.68Å
118A95.1Very high91.8Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-62.9-42.7176.900000112.4M17 L19 W84 L88 L114 V115 A116 S122 L158M17-A118 HydrophobicContact CE-CB 4.43Å; L19-A118 HydrophobicContact CD1-CB 3.86Å; W84-A118 HydrophobicContact CZ2-CB 4.48Å; L88-A118 HydrophobicContact CD1-CB 3.41Å; L88-A118 VanDerWaalsContact CD1-CB 3.41Å; L114-A118 PolarHBondContact O-N 3.49Å; V115-A118 WeakPolarHBondContact O-CB 3.24Å; V115-A118 PolarHBondContact O-N 2.96Å; A116-A118 VanDerWaalsContact C-N 3.32Å; A116-A118 PolarHBondContact O-N 2.97Å; A118-S122 WeakPolarHBondContact O-CB 3.48Å; A118-S122 PolarHBondContact O-N 3.41Å; A118-S122 VanDerWaalsContact O-N 3.07Å; A118-S122 PolarHBondContact O-OG 3.22Å; A118-L158 HydrophobicContact CB-CD1 4.14Å
119L94.8Very high93.1Very high1 Ų123 Ų231%0.00512%0.119CC..Hα-helixtrans-63-45175.8-64.5174.9000111.4V12 Y14 M17 V115 A116 S122 G123 M124 A129 F132 I133V12-L119 HydrophobicContact CG1-CD1 4.15Å; V12-L119 HydrophobicContact CG1-CD2 4.23Å; Y14-L119 HydrophobicContact CD1-CD2 3.88Å; Y14-L119 HydrophobicContact CG-CD2 3.72Å; M17-L119 HydrophobicContact CE-CD2 4.48Å; V115-L119 HydrophobicContact CG1-CD1 4.44Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.35Å; V115-L119 VanDerWaalsContact O-N 3.08Å; A116-L119 PolarHBondContact O-N 2.91Å; L119-S122 WeakPolarHBondContact O-CB 3.49Å; L119-S122 PolarHBondContact O-N 3.43Å; L119-G123 PolarHBondContact O-N 3.32Å; L119-M124 HydrophobicContact CB-CB 4.23Å; L119-M124 HydrophobicContact CB-SD 4.01Å; L119-M124 HydrophobicContact CD1-SD 4.11Å; L119-M124 HydrophobicContact CD2-CE 4.24Å; L119-M124 HydrophobicContact CG-SD 4.47Å; L119-M124 VanDerWaalsContact O-CB 3.24Å; L119-M124 WeakPolarHBondContact O-CB 3.24Å; L119-M124 PolarHBondContact O-N 3.1Å; L119-A129 HydrophobicContact CB-CB 3.9Å; L119-A129 HydrophobicContact CD1-CB 3.99Å; L119-F132 HydrophobicContact CD1-CD1 3.88Å; L119-F132 HydrophobicContact CD2-CD1 4.43Å; L119-I133 HydrophobicContact CD1-CD1 4.13Å; L119-I133 HydrophobicContact CD1-CG1 4.11Å
120I95Very high93.8Very high9 Ų922.8 Ų22.85%0.04611%0.114CC..Hα-helixtrans-64.4-45.3179.8-66.4162.2000111.1A116 L117 S122 G123 M124 A129 L149 Y152 P154A116-I120 WeakPolarHBondContact O-CD1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.5Å; A116-I120 PolarHBondContact O-N 2.97Å; L117-I120 PolarHBondContact O-N 3.22Å; I120-S122 PolarHBondContact O-N 3.35Å; I120-G123 WeakPolarHBondContact O-CA 3.26Å; I120-G123 PolarHBondContact O-N 3.12Å; I120-M124 WeakPolarHBondContact CA-O 3.48Å; I120-A129 HydrophobicContact CD1-CB 4.49Å; I120-A129 HydrophobicContact CG1-CB 3.99Å; I120-L149 HydrophobicContact CD1-CD2 3.93Å; I120-Y152 HydrophobicContact CG2-CD1 3.97Å; I120-Y152 HydrophobicContact CG2-CE1 4.26Å; I120-P154 HydrophobicContact CG2-CB 4.02Å; I120-P154 HydrophobicContact CG2-CG 4.08Å
121E93.9Very high94.1Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-63.9-23.4175.6-78.5-72.2158.200113.3L85 L117 G123 Y152 P154 K155 Q156 R157 L158L85-E121 HydrophobicContact CD1-CG 3.7Å; L85-E121 HydrophobicContact CD2-CB 3.89Å; L85-E121 HydrophobicContact CD2-CG 3.68Å; L85-E121 HydrophobicContact CG-CG 4.34Å; L117-E121 VanDerWaalsContact O-CB 3.3Å; L117-E121 WeakPolarHBondContact O-CB 3.26Å; L117-E121 WeakPolarHBondContact O-CG 3.4Å; L117-E121 PolarHBondContact O-N 3.28Å; E121-G123 VanDerWaalsContact C-N 3.26Å; E121-Y152 HydrophobicContact CG-CE1 4.22Å; E121-Y152 PolarHBondContact OE1-OH 3.14Å; E121-P154 WeakPolarHBondContact OE1-CA 3.45Å; E121-K155 PolarHBondContact OE1-N 3.05Å; E121-K155 PolarHBondContact OE2-N 3.5Å; E121-Q156 WeakPolarHBondContact OE2-CA 3.42Å; E121-Q156 PolarHBondContact OE2-N 3.16Å; E121-R157 PolarHBondContact OE2-N 3.17Å; E121-L158 HydrophobicContact CB-CB 4.21Å; E121-L158 HydrophobicContact CB-CD1 4.06Å; E121-L158 HydrophobicContact CB-CG 4.17Å
122S90.8Very high94.2Very high1 Ų129.4 Ų29.41%0.00715%0.145CC..THydrogen-bonded Turntrans-83.2-2.4173.2-59.90000113.2K15 M17 A118 L119 I120 L158K15-S122 PolarHBondContact NZ-O 2.9Å; M17-S122 WeakPolarHBondContact CE-OG 3.47Å; M17-S122 PolarHBondContact SD-OG 3.18Å; A118-S122 WeakPolarHBondContact O-CB 3.48Å; A118-S122 PolarHBondContact O-N 3.41Å; A118-S122 VanDerWaalsContact O-N 3.07Å; A118-S122 PolarHBondContact O-OG 3.22Å; L119-S122 WeakPolarHBondContact O-CB 3.49Å; L119-S122 PolarHBondContact O-N 3.43Å; I120-S122 PolarHBondContact O-N 3.35Å; S122-L158 WeakPolarHBondContact OG-CB 3.35Å
123G91.5Very high94.2Very high36 Ų3629.4 Ų29.437%0.37115%0.145SC..THydrogen-bonded Turntrans102.79.9174.800000115.5L119 I120 E121L119-G123 PolarHBondContact O-N 3.32Å; I120-G123 WeakPolarHBondContact O-CA 3.26Å; I120-G123 PolarHBondContact O-N 3.12Å; E121-G123 VanDerWaalsContact C-N 3.26Å
124M93.8Very high94.2Very high27 Ų2734 Ų3413%0.13316%0.163CC..  trans-76.4146.1171.1-167.6176-73.100110.2Y14 L119 I120 D128 A129 F132Y14-M124 HydrophobicContact CD1-CE 4.31Å; Y14-M124 HydrophobicContact CD2-CE 3.3Å; Y14-M124 HydrophobicContact CE1-CB 4.49Å; Y14-M124 HydrophobicContact CE1-CE 4.22Å; Y14-M124 HydrophobicContact CE2-CE 3.2Å; Y14-M124 HydrophobicContact CG-CE 3.88Å; L119-M124 HydrophobicContact CB-CB 4.23Å; L119-M124 HydrophobicContact CB-SD 4.01Å; L119-M124 HydrophobicContact CD1-SD 4.11Å; L119-M124 HydrophobicContact CD2-CE 4.24Å; L119-M124 HydrophobicContact CG-SD 4.47Å; L119-M124 VanDerWaalsContact O-CB 3.24Å; L119-M124 WeakPolarHBondContact O-CB 3.24Å; L119-M124 PolarHBondContact O-N 3.1Å; I120-M124 WeakPolarHBondContact CA-O 3.48Å; M124-D128 HydrophobicContact CG-CB 3.71Å; M124-D128 HydrophobicContact SD-CB 4.13Å; M124-A129 HydrophobicContact CG-CB 4.24Å; M124-A129 WeakPolarHBondContact SD-CA 3.47Å; M124-A129 HydrophobicContact SD-CB 3.79Å; M124-A129 PolarHBondContact SD-N 3.37Å; M124-A129 VanDerWaalsContact SD-N 3.42Å; M124-F132 HydrophobicContact CE-CD1 4.27Å
125K94.3Very high94Very high144 Ų14441 Ų4163%0.62620%0.195SC*.  trans-69.6154.1170.1-63.8-175.9177.51790110.1E127 D128 A129K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 WeakPolarHBondContact CB-OE2 3.35Å; K125-E127 PolarHBondContact O-N 2.93Å; K125-D128 HydrophobicContact CB-CB 4.46Å; K125-D128 PolarHBondContact O-N 2.99Å; K125-A129 WeakPolarHBondContact O-CB 3.38Å; K125-A129 PolarHBondContact O-N 3.44Å
126Y94.9Very high93.7Very high67 Ų6746.7 Ų46.726%0.26322%0.22SC..Hα-helixtrans-66.3-36.6-175.376.6-85.5000111.5A129 I130 E150Y126-A129 PolarHBondContact O-N 3.24Å; Y126-I130 HydrophobicContact CD2-CD1 3.79Å; Y126-I130 HydrophobicContact CE2-CD1 4.44Å; Y126-I130 VanDerWaalsContact O-CD1 3.26Å; Y126-I130 WeakPolarHBondContact O-CD1 3.39Å; Y126-I130 VanDerWaalsContact O-CG1 3.24Å; Y126-I130 WeakPolarHBondContact O-CG1 3.39Å; Y126-I130 PolarHBondContact O-N 3.24Å; Y126-E150 HydrophobicContact CD2-CB 4.27Å; Y126-E150 HydrophobicContact CE2-CB 3.75Å; Y126-E150 HydrophobicContact CE2-CG 4.18Å
127E94.7Very high93.2Very high80 Ų8047.2 Ų47.237%0.37422%0.222SC..Hα-helixtrans-61-47.9176.5-53.591.2150.100111K125 A129 I130 Q131K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 WeakPolarHBondContact CB-OE2 3.35Å; K125-E127 PolarHBondContact O-N 2.93Å; E127-A129 VanDerWaalsContact C-N 3.34Å; E127-A129 PolarHBondContact O-N 3.4Å; E127-I130 PolarHBondContact O-N 2.79Å; E127-Q131 WeakPolarHBondContact O-CG 3.36Å; E127-Q131 PolarHBondContact O-N 3.12Å
128D94.9Very high92.8Very high79 Ų7958.4 Ų58.442%0.42226%0.264SS..Hα-helixtrans-63.4-41.1177.9-62.6-26000110.9M124 K125 I130 Q131 F132M124-D128 HydrophobicContact CG-CB 3.71Å; M124-D128 HydrophobicContact SD-CB 4.13Å; K125-D128 HydrophobicContact CB-CB 4.46Å; K125-D128 PolarHBondContact O-N 2.99Å; D128-I130 PolarHBondContact O-N 3.36Å; D128-Q131 PolarHBondContact O-N 2.94Å; D128-F132 VanDerWaalsContact O-CB 3.26Å; D128-F132 WeakPolarHBondContact O-CB 3.36Å; D128-F132 PolarHBondContact O-N 3.39Å
129A95.1Very high92.2Very high0 Ų061.1 Ų61.10%029%0.292CS..Hα-helixtrans-62.5-43.7177.300000112L119 I120 M124 K125 Y126 E127 F132 I133L119-A129 HydrophobicContact CB-CB 3.9Å; L119-A129 HydrophobicContact CD1-CB 3.99Å; I120-A129 HydrophobicContact CD1-CB 4.49Å; I120-A129 HydrophobicContact CG1-CB 3.99Å; M124-A129 HydrophobicContact CG-CB 4.24Å; M124-A129 WeakPolarHBondContact SD-CA 3.47Å; M124-A129 HydrophobicContact SD-CB 3.79Å; M124-A129 PolarHBondContact SD-N 3.37Å; M124-A129 VanDerWaalsContact SD-N 3.42Å; K125-A129 WeakPolarHBondContact O-CB 3.38Å; K125-A129 PolarHBondContact O-N 3.44Å; Y126-A129 PolarHBondContact O-N 3.24Å; E127-A129 VanDerWaalsContact C-N 3.34Å; E127-A129 PolarHBondContact O-N 3.4Å; A129-F132 PolarHBondContact O-N 3.16Å; A129-I133 WeakPolarHBondContact O-CD1 3.32Å; A129-I133 VanDerWaalsContact O-CG1 3.3Å; A129-I133 WeakPolarHBondContact O-CG1 3.43Å; A129-I133 PolarHBondContact O-N 3.24Å
130I93.6Very high91.8Very high11 Ų1161.1 Ų61.16%0.05629%0.292CS..Hα-helixtrans-63.1-47.3176.2-69.4154.6000110.5Y126 E127 D128 F132 I133 R134 I141 L146 L149Y126-I130 HydrophobicContact CD2-CD1 3.79Å; Y126-I130 HydrophobicContact CE2-CD1 4.44Å; Y126-I130 VanDerWaalsContact O-CD1 3.26Å; Y126-I130 WeakPolarHBondContact O-CD1 3.39Å; Y126-I130 VanDerWaalsContact O-CG1 3.24Å; Y126-I130 WeakPolarHBondContact O-CG1 3.39Å; Y126-I130 PolarHBondContact O-N 3.24Å; E127-I130 PolarHBondContact O-N 2.79Å; D128-I130 PolarHBondContact O-N 3.36Å; I130-F132 PolarHBondContact O-N 3.42Å; I130-I133 PolarHBondContact O-N 3.48Å; I130-R134 HydrophobicContact CG2-CG 4.41Å; I130-R134 WeakPolarHBondContact O-CB 3.38Å; I130-R134 VanDerWaalsContact O-CG 3.32Å; I130-R134 WeakPolarHBondContact O-CG 3.33Å; I130-R134 PolarHBondContact O-N 3.46Å; I130-I141 HydrophobicContact CB-CD1 4.4Å; I130-I141 HydrophobicContact CG1-CD1 3.94Å; I130-I141 HydrophobicContact CG2-CD1 4.4Å; I130-L146 HydrophobicContact CB-CD2 4.44Å; I130-L146 HydrophobicContact CD1-CD2 3.36Å; I130-L146 HydrophobicContact CG1-CD2 3.85Å; I130-L146 HydrophobicContact CG2-CD2 3.76Å; I130-L149 HydrophobicContact CD1-CD1 4.16Å; I130-L149 HydrophobicContact CG1-CD1 3.89Å
131Q94.3Very high91.4Very high116 Ų11660.9 Ų60.954%0.54229%0.291SS..Hα-helixtrans-61.7-44.6179.1-73.7-175.6000111.4E127 D128 I133 R134 Q135E127-Q131 WeakPolarHBondContact O-CG 3.36Å; E127-Q131 PolarHBondContact O-N 3.12Å; D128-Q131 PolarHBondContact O-N 2.94Å; Q131-I133 VanDerWaalsContact C-N 3.35Å; Q131-I133 PolarHBondContact O-N 3.48Å; Q131-R134 PolarHBondContact O-N 3.18Å; Q131-Q135 WeakPolarHBondContact O-CG 3.34Å; Q131-Q135 PolarHBondContact O-N 3.18Å
132F93.9Very high91.1Very high46 Ų4663.9 Ų63.920%0.20231%0.307CS..Hα-helixtrans-61-43.6179.5-172.9-135000112V12 C13 L119 M124 D128 A129 I130 Q135 K136V12-F132 HydrophobicContact CG1-CD1 3.8Å; V12-F132 HydrophobicContact CG1-CE1 3.46Å; V12-F132 VanDerWaalsContact CG1-CE1 3.46Å; V12-F132 HydrophobicContact CG1-CZ 4.38Å; C13-F132 WeakPolarHBondContact O-CZ 3.28Å; L119-F132 HydrophobicContact CD1-CD1 3.88Å; L119-F132 HydrophobicContact CD2-CD1 4.43Å; M124-F132 HydrophobicContact CE-CD1 4.27Å; D128-F132 VanDerWaalsContact O-CB 3.26Å; D128-F132 WeakPolarHBondContact O-CB 3.36Å; D128-F132 PolarHBondContact O-N 3.39Å; A129-F132 PolarHBondContact O-N 3.16Å; I130-F132 PolarHBondContact O-N 3.42Å; F132-Q135 PolarHBondContact O-N 2.91Å; F132-K136 PolarHBondContact O-N 3.43Å
133I93.5Very high90.9Very high0 Ų068.3 Ų68.30%034%0.338CS..Hα-helixtrans-65.9-42.7175.2-68.1166.6000111I21 P112 V115 A116 L119 A129 I130 Q131 Q135 K136 R137 A140 I141I21-I133 HydrophobicContact CD1-CG2 4.27Å; P112-I133 HydrophobicContact CB-CG2 4.1Å; P112-I133 WeakPolarHBondContact O-CD1 3.28Å; V115-I133 HydrophobicContact CB-CD1 4.14Å; V115-I133 HydrophobicContact CG1-CD1 3.95Å; V115-I133 HydrophobicContact CG1-CG1 4.15Å; A116-I133 HydrophobicContact CB-CD1 3.64Å; L119-I133 HydrophobicContact CD1-CD1 4.13Å; L119-I133 HydrophobicContact CD1-CG1 4.11Å; A129-I133 WeakPolarHBondContact O-CD1 3.32Å; A129-I133 VanDerWaalsContact O-CG1 3.3Å; A129-I133 WeakPolarHBondContact O-CG1 3.43Å; A129-I133 PolarHBondContact O-N 3.24Å; I130-I133 PolarHBondContact O-N 3.48Å; Q131-I133 VanDerWaalsContact C-N 3.35Å; Q131-I133 PolarHBondContact O-N 3.48Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-Q135 PolarHBondContact O-N 2.89Å; I133-K136 PolarHBondContact O-N 3.42Å; I133-K136 VanDerWaalsContact O-N 3.12Å; I133-R137 PolarHBondContact O-N 3.42Å; I133-A140 HydrophobicContact CG2-CB 3.87Å; I133-I141 HydrophobicContact CD1-CD1 4.26Å; I133-I141 HydrophobicContact CG2-CD1 4.48Å
134R92.5Very high90.7Very high97 Ų9774.1 Ų74.137%0.36635%0.353SS..Hα-helixtrans-67.3-29.3-179.7-77.1178.7172.6-179.4-2.5113.6I130 Q131 K136 R137 R138 A140 I141I130-R134 HydrophobicContact CG2-CG 4.41Å; I130-R134 WeakPolarHBondContact O-CB 3.38Å; I130-R134 VanDerWaalsContact O-CG 3.32Å; I130-R134 WeakPolarHBondContact O-CG 3.33Å; I130-R134 PolarHBondContact O-N 3.46Å; Q131-R134 PolarHBondContact O-N 3.18Å; R134-K136 VanDerWaalsContact C-N 3.29Å; R134-R137 CarbonylContact O-C 3.36Å; R134-R138 PolarHBondContact O-N 3.2Å; R134-A140 PolarHBondContact NE-O 3.39Å; R134-I141 PolarHBondContact NH2-O 3.36Å
135Q91.8Very high90.5Very high147 Ų14773 Ų7369%0.68735%0.348SS*.Hα-helixtrans-62-38.5171-74.9172.44.600111.6Q131 F132 I133Q131-Q135 WeakPolarHBondContact O-CG 3.34Å; Q131-Q135 PolarHBondContact O-N 3.18Å; F132-Q135 PolarHBondContact O-N 2.91Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-Q135 PolarHBondContact O-N 2.89Å
136K88.8Confident90.3Very high119 Ų11968.3 Ų68.352%0.51733%0.329SS..Hα-helixtrans-83.7-32.7178.4-61.8-65.5-173.1174.40112.9A10 F132 I133 R134A10-K136 HydrophobicContact CB-CB 4.16Å; F132-K136 PolarHBondContact O-N 3.43Å; I133-K136 PolarHBondContact O-N 3.42Å; I133-K136 VanDerWaalsContact O-N 3.12Å; R134-K136 VanDerWaalsContact C-N 3.29Å
137R86Confident90.2Very high12 Ų1268.1 Ų68.15%0.04534%0.335CS..SBendtrans-140.193.4-177.8-162.5169.9-164.8150.73.1111.1A10 I21 T22 A106 G107 L108 I133 R134 G139 A140A10-R137 HydrophobicContact CB-CB 4.14Å; I21-R137 PolarHBondContact O-NH1 2.95Å; T22-R137 PolarHBondContact O-NH1 3.33Å; T22-R137 VanDerWaalsContact O-NH1 3.16Å; A106-R137 PolarHBondContact O-NH2 2.9Å; G107-R137 WeakPolarHBondContact O-CD 3.33Å; G107-R137 PolarHBondContact O-NE 3.5Å; G107-R137 VanDerWaalsContact O-NE 3.14Å; G107-R137 PolarHBondContact O-NH1 2.75Å; L108-R137 HydrophobicContact CD2-CG 3.9Å; I133-R137 PolarHBondContact O-N 3.42Å; R134-R137 CarbonylContact O-C 3.36Å; R137-G139 PolarHBondContact O-N 3.05Å; R137-A140 HydrophobicContact CB-CB 4.29Å; R137-A140 HydrophobicContact CG-CB 4.49Å; R137-A140 VanDerWaalsContact O-CB 3.26Å; R137-A140 WeakPolarHBondContact O-CB 3.32Å; R137-A140 PolarHBondContact O-N 3.5Å; R137-A140 VanDerWaalsContact O-N 3.17Å
138R85.1Confident90.1Very high235 Ų23567 Ų6789%0.88733%0.327SS*.THydrogen-bonded Turntrans-57.2133-179.6-167.7175.872.6-1802.9110.9R134 A140R134-R138 PolarHBondContact O-N 3.2Å; R138-A140 VanDerWaalsContact C-N 3.31Å
139G83.3Confident90Very high57 Ų5763.2 Ų63.259%0.58831%0.308SS*.THydrogen-bonded Turntrans80.26.4179.100000114.9R137R137-G139 PolarHBondContact O-N 3.05Å
140A86.8Confident89.9Confident0 Ų067.9 Ų67.90%033%0.329CS..  trans-65.4146.4170.200000111.4L108 P112 I133 R134 R137 R138L108-A140 WeakPolarHBondContact O-CA 3.18Å; P112-A140 HydrophobicContact CB-CB 4.07Å; P112-A140 HydrophobicContact CG-CB 3.96Å; I133-A140 HydrophobicContact CG2-CB 3.87Å; R134-A140 PolarHBondContact NE-O 3.39Å; R137-A140 HydrophobicContact CB-CB 4.29Å; R137-A140 HydrophobicContact CG-CB 4.49Å; R137-A140 VanDerWaalsContact O-CB 3.26Å; R137-A140 WeakPolarHBondContact O-CB 3.32Å; R137-A140 PolarHBondContact O-N 3.5Å; R137-A140 VanDerWaalsContact O-N 3.17Å; R138-A140 VanDerWaalsContact C-N 3.31Å
141I86.1Confident90Very high5 Ų574.7 Ų74.73%0.02636%0.359CS..SBendtrans70114.2176.7-50.2171000112.6L108 P112 A116 I130 I133 R134 Q145 L146 L149L108-I141 PolarHBondContact O-N 3.04Å; P112-I141 HydrophobicContact CB-CD1 4.46Å; P112-I141 HydrophobicContact CB-CG1 3.79Å; A116-I141 HydrophobicContact CB-CD1 4.36Å; I130-I141 HydrophobicContact CB-CD1 4.4Å; I130-I141 HydrophobicContact CG1-CD1 3.94Å; I130-I141 HydrophobicContact CG2-CD1 4.4Å; I133-I141 HydrophobicContact CD1-CD1 4.26Å; I133-I141 HydrophobicContact CG2-CD1 4.48Å; R134-I141 PolarHBondContact NH2-O 3.36Å; I141-Q145 HydrophobicContact CG2-CB 3.69Å; I141-L146 HydrophobicContact CB-CD2 4.49Å; I141-L146 HydrophobicContact CG2-CD2 3.7Å; I141-L146 HydrophobicContact CG2-CG 3.95Å; I141-L149 HydrophobicContact CD1-CD1 4.09Å; I141-L149 HydrophobicContact CG2-CD1 4.12Å
142N86.8Confident90Very high63 Ų6370.9 Ų70.934%0.33734%0.34SS..  trans-86170.8177.973.540.7000112.6K144 Q145 L146N142-K144 VanDerWaalsContact C-N 3.35Å; N142-K144 PolarHBondContact O-N 2.94Å; N142-K144 WeakPolarHBondContact OD1-CB 3.23Å; N142-K144 PolarHBondContact OD1-N 3.47Å; N142-Q145 VanDerWaalsContact N-OE1 3.08Å; N142-Q145 PolarHBondContact ND2-OE1 3.31Å; N142-Q145 WeakPolarHBondContact O-CB 3.32Å; N142-Q145 PolarHBondContact O-N 3.11Å; N142-Q145 VanDerWaalsContact O-N 3.12Å; N142-Q145 WeakPolarHBondContact OD1-CG 3.36Å; N142-Q145 PolarHBondContact OD1-N 3.44Å; N142-L146 WeakPolarHBondContact O-CG 3.37Å; N142-L146 PolarHBondContact O-N 3.11Å
143S87Confident89.9Confident94 Ų9478.1 Ų78.166%0.65737%0.365SS*.Hα-helixtrans-58.7-38.4-177-500000114.4Q145 L146 T147S143-Q145 VanDerWaalsContact C-N 3.33Å; S143-Q145 PolarHBondContact O-N 3.28Å; S143-L146 WeakPolarHBondContact O-CB 3.37Å; S143-L146 PolarHBondContact O-N 2.88Å; S143-T147 PolarHBondContact O-N 3.22Å; S143-T147 VanDerWaalsContact O-N 3.11Å; S143-T147 PolarHBondContact O-OG1 3.1Å
144K87.8Confident89.7Confident158 Ų15880.8 Ų80.869%0.68738%0.383SS*.Hα-helixtrans-64.7-40.4177.2-64.8-177.6178.7-179.70111.2N142 T147 Y148N142-K144 VanDerWaalsContact C-N 3.35Å; N142-K144 PolarHBondContact O-N 2.94Å; N142-K144 WeakPolarHBondContact OD1-CB 3.23Å; N142-K144 PolarHBondContact OD1-N 3.47Å; K144-T147 PolarHBondContact O-N 3.22Å; K144-Y148 PolarHBondContact O-N 3.12Å; K144-Y148 VanDerWaalsContact O-N 3.11Å
145Q88.9Confident89.6Confident4 Ų482.2 Ų82.22%0.01939%0.391CS..Hα-helixtrans-70.6-34.1177.7-66.6172.6-32.600112.1G109 V113 I141 N142 S143 Y148 L149G109-Q145 VanDerWaalsContact C-NE2 3.34Å; G109-Q145 PolarHBondContact O-NE2 2.91Å; V113-Q145 HydrophobicContact CG2-CB 3.76Å; V113-Q145 HydrophobicContact CG2-CG 3.7Å; I141-Q145 HydrophobicContact CG2-CB 3.69Å; N142-Q145 VanDerWaalsContact N-OE1 3.08Å; N142-Q145 PolarHBondContact ND2-OE1 3.31Å; N142-Q145 WeakPolarHBondContact O-CB 3.32Å; N142-Q145 PolarHBondContact O-N 3.11Å; N142-Q145 VanDerWaalsContact O-N 3.12Å; N142-Q145 WeakPolarHBondContact OD1-CG 3.36Å; N142-Q145 PolarHBondContact OD1-N 3.44Å; S143-Q145 VanDerWaalsContact C-N 3.33Å; S143-Q145 PolarHBondContact O-N 3.28Å; Q145-Y148 WeakPolarHBondContact O-CB 3.48Å; Q145-Y148 PolarHBondContact O-N 3.32Å; Q145-L149 WeakPolarHBondContact O-CG 3.4Å; Q145-L149 PolarHBondContact O-N 3.43Å
146L90.9Very high89.2Confident44 Ų4480 Ų8023%0.2338%0.381CS..Hα-helixtrans-59.8-50.1171.4-68.4175.1000111I130 I141 N142 S143 Y148 L149 E150I130-L146 HydrophobicContact CB-CD2 4.44Å; I130-L146 HydrophobicContact CD1-CD2 3.36Å; I130-L146 HydrophobicContact CG1-CD2 3.85Å; I130-L146 HydrophobicContact CG2-CD2 3.76Å; I141-L146 HydrophobicContact CB-CD2 4.49Å; I141-L146 HydrophobicContact CG2-CD2 3.7Å; I141-L146 HydrophobicContact CG2-CG 3.95Å; N142-L146 WeakPolarHBondContact O-CG 3.37Å; N142-L146 PolarHBondContact O-N 3.11Å; S143-L146 WeakPolarHBondContact O-CB 3.37Å; S143-L146 PolarHBondContact O-N 2.88Å; L146-Y148 PolarHBondContact O-N 3.08Å; L146-L149 PolarHBondContact O-N 3.18Å; L146-L149 VanDerWaalsContact O-N 3.1Å; L146-E150 WeakPolarHBondContact O-CB 3.24Å; L146-E150 PolarHBondContact O-N 3.32Å
147T91.9Very high88.9Confident64 Ų6478.4 Ų78.439%0.39337%0.372SS..Hα-helixtrans-60.2-34.2177.6-54.10000112.2S143 K144 K151S143-T147 PolarHBondContact O-N 3.22Å; S143-T147 VanDerWaalsContact O-N 3.11Å; S143-T147 PolarHBondContact O-OG1 3.1Å; K144-T147 PolarHBondContact O-N 3.22Å; T147-K151 HydrophobicContact CG2-CD 4.41Å; T147-K151 WeakPolarHBondContact O-CG 3.46Å; T147-K151 PolarHBondContact O-N 3.06Å
148Y92.8Very high88.7Confident55 Ų5578.6 Ų78.622%0.21637%0.374CS..Hα-helixtrans-65.1-48.9172.7168.7-101000112.1P75 P76 V113 L117 K144 Q145 L146 E150 K151 Y152P75-Y148 HydrophobicContact CB-CD1 4.46Å; P75-Y148 HydrophobicContact CB-CD2 3.37Å; P75-Y148 HydrophobicContact CB-CE2 3.66Å; P75-Y148 HydrophobicContact CB-CG 3.81Å; P75-Y148 HydrophobicContact CG-CD2 4.47Å; P76-Y148 HydrophobicContact CG-CE1 3.89Å; V113-Y148 HydrophobicContact CG1-CD1 4.19Å; V113-Y148 HydrophobicContact CG1-CE1 4.13Å; L117-Y148 HydrophobicContact CD1-CE1 4.21Å; L117-Y148 HydrophobicContact CD2-CE1 4.04Å; L117-Y148 HydrophobicContact CG-CE1 4.46Å; K144-Y148 PolarHBondContact O-N 3.12Å; K144-Y148 VanDerWaalsContact O-N 3.11Å; Q145-Y148 WeakPolarHBondContact O-CB 3.48Å; Q145-Y148 PolarHBondContact O-N 3.32Å; L146-Y148 PolarHBondContact O-N 3.08Å; Y148-E150 VanDerWaalsContact C-N 3.31Å; Y148-E150 PolarHBondContact O-N 2.8Å; Y148-K151 PolarHBondContact O-N 3.28Å; Y148-Y152 PolarHBondContact O-N 2.67Å
149L93.4Very high88.4Confident1 Ų173.4 Ų73.41%0.00535%0.354CS..Hα-helixtrans-64.6-35-179.6-69.4171.9000112.5V113 A116 L117 I120 I130 I141 Q145 L146 Y152V113-L149 HydrophobicContact CG1-CD2 4.37Å; A116-L149 HydrophobicContact CB-CD1 3.78Å; A116-L149 HydrophobicContact CB-CD2 3.9Å; L117-L149 HydrophobicContact CD2-CD2 3.95Å; L117-L149 HydrophobicContact CG-CD2 4.19Å; I120-L149 HydrophobicContact CD1-CD2 3.93Å; I130-L149 HydrophobicContact CD1-CD1 4.16Å; I130-L149 HydrophobicContact CG1-CD1 3.89Å; I141-L149 HydrophobicContact CD1-CD1 4.09Å; I141-L149 HydrophobicContact CG2-CD1 4.12Å; Q145-L149 WeakPolarHBondContact O-CG 3.4Å; Q145-L149 PolarHBondContact O-N 3.43Å; L146-L149 PolarHBondContact O-N 3.18Å; L146-L149 VanDerWaalsContact O-N 3.1Å; L149-Y152 WeakPolarHBondContact O-CB 3.47Å; L149-Y152 PolarHBondContact O-N 3.27Å
150E93.9Very high87.5Confident97 Ų9777.9 Ų77.945%0.45336%0.355SS..Hα-helixtrans-62.4-41.1174.2176.1179.2-15500112.3Y126 L146 Y148 Y152Y126-E150 HydrophobicContact CD2-CB 4.27Å; Y126-E150 HydrophobicContact CE2-CB 3.75Å; Y126-E150 HydrophobicContact CE2-CG 4.18Å; L146-E150 WeakPolarHBondContact O-CB 3.24Å; L146-E150 PolarHBondContact O-N 3.32Å; Y148-E150 VanDerWaalsContact C-N 3.31Å; Y148-E150 PolarHBondContact O-N 2.8Å; E150-Y152 VanDerWaalsContact C-N 3.32Å
151K93.9Very high86Confident155 Ų15586 Ų8667%0.67439%0.39SS*.Hα-helixtrans-81.3-13.2178.8-68178.6-177.3-178.20113.1T147 Y148 R153T147-K151 HydrophobicContact CG2-CD 4.41Å; T147-K151 WeakPolarHBondContact O-CG 3.46Å; T147-K151 PolarHBondContact O-N 3.06Å; Y148-K151 PolarHBondContact O-N 3.28Å; K151-R153 PolarHBondContact O-N 3.34Å
152Y94.4Very high84.2Confident36 Ų3689.4 Ų89.414%0.14141%0.408CS..  trans-64.6133.5-178-173.2-102.8000111V81 L117 I120 E121 Y148 L149 E150 P154V81-Y152 HydrophobicContact CG1-CE2 4.36Å; L117-Y152 HydrophobicContact CD2-CD1 3.72Å; L117-Y152 HydrophobicContact CD2-CD2 3.62Å; L117-Y152 HydrophobicContact CD2-CE1 3.68Å; L117-Y152 HydrophobicContact CD2-CE2 3.58Å; L117-Y152 HydrophobicContact CD2-CG 3.68Å; I120-Y152 HydrophobicContact CG2-CD1 3.97Å; I120-Y152 HydrophobicContact CG2-CE1 4.26Å; E121-Y152 HydrophobicContact CG-CE1 4.22Å; E121-Y152 PolarHBondContact OE1-OH 3.14Å; Y148-Y152 PolarHBondContact O-N 2.67Å; L149-Y152 WeakPolarHBondContact O-CB 3.47Å; L149-Y152 PolarHBondContact O-N 3.27Å; E150-Y152 VanDerWaalsContact C-N 3.32Å; Y152-P154 HydrophobicContact CE1-CB 4.31Å
153R92.3Very high82.4Confident198 Ų19890.8 Ų90.875%0.74742%0.42SS*.  trans-112.3109.3176.8-69-63.4-174.5-1284.8109.1K151K151-R153 PolarHBondContact O-N 3.34Å
154P90.3Very high80.5Confident56 Ų5693.6 Ų93.636%0.36442%0.423SS..  trans-66.8139.6-17722.9-29.8000111.7I120 E121 Y152 Q156I120-P154 HydrophobicContact CG2-CB 4.02Å; I120-P154 HydrophobicContact CG2-CG 4.08Å; E121-P154 WeakPolarHBondContact OE1-CA 3.45Å; Y152-P154 HydrophobicContact CE1-CB 4.31Å; P154-Q156 VanDerWaalsContact C-N 3.32Å
155K89.4Confident78.5Confident126 Ų12692.3 Ų92.355%0.54842%0.422SS..  trans-88.8-2.6171.9-62.9-179.3-174.5-179.50112.2E82 E121 R157E82-K155 IonicContact OE1-NZ 2.61Å; E82-K155 PolarHBondContact OE1-NZ 3.06Å; E121-K155 PolarHBondContact OE1-N 3.05Å; E121-K155 PolarHBondContact OE2-N 3.5Å; K155-R157 VanDerWaalsContact C-N 3.29Å; K155-R157 HydrophobicContact CB-CG 3.9Å; K155-R157 PolarHBondContact O-N 3.39Å
156Q83.9Confident76.4Confident101 Ų101100.5 Ų100.547%0.47246%0.458SS..  trans59.634.1-179.1-59-1746.700113.6E121 P154 L158 R159E121-Q156 WeakPolarHBondContact OE2-CA 3.42Å; E121-Q156 PolarHBondContact OE2-N 3.16Å; P154-Q156 VanDerWaalsContact C-N 3.32Å; Q156-L158 VanDerWaalsContact C-N 3.27Å; Q156-L158 PolarHBondContact O-N 3Å; Q156-R159 HydrophobicContact CB-CG 4.37Å; Q156-R159 PolarHBondContact O-N 3.17Å
157R82.1Confident74.1Confident85 Ų85107.1 Ų107.132%0.32149%0.485SS..THydrogen-bonded Turntrans-71.3-20.7-174.5-70.7-179.1174.9178.72.8113.7E82 R89 E121 K155E82-R157 IonicContact OE1-CZ 3.54Å; E82-R157 IonicContact OE1-NH1 3.28Å; E82-R157 PolarHBondContact OE1-NH1 2.91Å; E82-R157 IonicContact OE1-NH2 2.89Å; E82-R157 PolarHBondContact OE1-NH2 2.95Å; R89-R157 PolarHBondContact NH1-O 2.97Å; E121-R157 PolarHBondContact OE2-N 3.17Å; K155-R157 VanDerWaalsContact C-N 3.29Å; K155-R157 HydrophobicContact CB-CG 3.9Å; K155-R157 PolarHBondContact O-N 3.39Å
158L82.2Confident71.8Confident17 Ų17111.4 Ų111.49%0.08951%0.505CS..THydrogen-bonded Turntrans-106.34.7-179.9-63.7179.5000113.5M17 L85 L88 R89 A118 E121 S122 Q156 Y160M17-L158 HydrophobicContact SD-CD1 3.91Å; L85-L158 HydrophobicContact CD2-CD1 3.61Å; L85-L158 HydrophobicContact CD2-CG 4.15Å; L88-L158 HydrophobicContact CB-CD1 4.47Å; L88-L158 HydrophobicContact CB-CD2 4.24Å; L88-L158 HydrophobicContact CD1-CD1 4.12Å; R89-L158 HydrophobicContact CB-CD2 3.86Å; A118-L158 HydrophobicContact CB-CD1 4.14Å; E121-L158 HydrophobicContact CB-CB 4.21Å; E121-L158 HydrophobicContact CB-CD1 4.06Å; E121-L158 HydrophobicContact CB-CG 4.17Å; S122-L158 WeakPolarHBondContact OG-CB 3.35Å; Q156-L158 VanDerWaalsContact C-N 3.27Å; Q156-L158 PolarHBondContact O-N 3Å; L158-Y160 PolarHBondContact O-N 3.31Å
159R78.7Confident69.7Low126 Ų126118.6 Ų118.648%0.47554%0.538SS..  trans-68.2108.3170.1-88.6-174162.6-172.4-10.7109.3Q156 K161Q156-R159 HydrophobicContact CB-CG 4.37Å; Q156-R159 PolarHBondContact O-N 3.17Å; R159-K161 PolarHBondContact O-N 2.9Å
160Y63.4Low67.2Low151 Ų151124.1 Ų124.159%0.59258%0.575SS**  trans-60.1110.7165.5-153.9-95.5000107.8L158 D162L158-Y160 PolarHBondContact O-N 3.31Å; Y160-D162 PolarHBondContact O-N 2.69Å
161K56Low64.6Low171 Ų171126 Ų12674%0.74360%0.598SS**  trans-76.5108.2166.6-72.5-174.6179.2-177.90105.4R159 P163R159-K161 PolarHBondContact O-N 2.9Å; K161-P163 VanDerWaalsContact O-CD 3.29Å; K161-P163 WeakPolarHBondContact O-CD 3.45Å; K161-P163 VanDerWaalsContact O-N 3.14Å
162D47.4Very low62.2Low76 Ų76125.7 Ų125.741%0.40660%0.602SS.*  trans-52.4118.4169.5-165.2-46.6000108.7Y160 H164 I165Y160-D162 PolarHBondContact O-N 2.69Å; D162-H164 PolarHBondContact O-N 2.88Å; D162-H164 VanDerWaalsContact O-N 3.1Å; D162-H164 WeakPolarHBondContact OD1-CA 3.26Å; D162-H164 VanDerWaalsContact OD1-CB 3.28Å; D162-H164 WeakPolarHBondContact OD1-CB 3.46Å; D162-H164 IonicContact OD1-CG 3.83Å; D162-H164 PolarHBondContact OD1-N 2.98Å; D162-I165 HydrophobicContact CB-CD1 3.96Å; D162-I165 HydrophobicContact CB-CG1 4.1Å; D162-I165 PolarHBondContact O-N 3.17Å
163P48.8Very low59.5Low91 Ų91136.2 Ų136.259%0.59166%0.655SS**THydrogen-bonded Turntrans-65.5-7.8178.819.1-22.1000112.9K161K161-P163 VanDerWaalsContact O-CD 3.29Å; K161-P163 WeakPolarHBondContact O-CD 3.45Å; K161-P163 VanDerWaalsContact O-N 3.14Å
164H47.5Very low57.9Low154 Ų154133.2 Ų133.271%0.71365%0.651SS**THydrogen-bonded Turntrans-93.4-7.2178.3-64.3-19.1000115D162D162-H164 PolarHBondContact O-N 2.88Å; D162-H164 VanDerWaalsContact O-N 3.1Å; D162-H164 WeakPolarHBondContact OD1-CA 3.26Å; D162-H164 VanDerWaalsContact OD1-CB 3.28Å; D162-H164 WeakPolarHBondContact OD1-CB 3.46Å; D162-H164 IonicContact OD1-CG 3.83Å; D162-H164 PolarHBondContact OD1-N 2.98Å
165I46.9Very low56.2Low131 Ų131137.2 Ų137.267%0.67267%0.666SS**THydrogen-bonded Turntrans-82.9-13.3178.8-71176.6000113D162D162-I165 HydrophobicContact CB-CD1 3.96Å; D162-I165 HydrophobicContact CB-CG1 4.1Å; D162-I165 PolarHBondContact O-N 3.17Å
166F44.6Very low54.3Low175 Ų175137.8 Ų137.877%0.76867%0.673SS**THydrogen-bonded Turntrans-94.84.1179.7-92.8-82.7000115.8
167K42.7Very low52.6Low184 Ų184140 Ų14080%0.868%0.684SS**SBendtrans-87.4-12.4176.7-96.5-173.8175.7-177.10115.7
168N43.1Very low50.8Low154 Ų154143.4 Ų143.482%0.82471%0.707SS**SBendtrans-123.945.9-173.3-71.3-2.2000114.5
169K48.7Very low48.7Very low205 Ų205151.9 Ų151.989%0.89175%0.748SS**SBendtrans-155.769.4164.8-114.6177-169.8-176.70112.7
170C42Very low46.5Very low118 Ų118153.7 Ų153.780%0.79777%0.768SS**  trans-169.582144.5-157.40000110.3
171C38.5Very low45.2Very low137 Ų137153.9 Ų153.993%0.92678%0.781SS**  trans-128.389.6149.4-66.50000105.4
172I43.2Very low44.3Very low148 Ų148152.5 Ų152.576%0.75978%0.784SS**  trans-116.2127.5161.9-66.6175.2000105.1
173M38.4Very low44Very low257 Ų257159.5 Ų159.5100%1.26682%0.819SS**  trans76.50-176.7-64.5-165.5-62.200116.6

Retrieved 173 of 173 residues in 679.7 ms (Link to these results)

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