A0A093I9W4_STRCA Loading...

CTP synthase

Catalyzes the ATP-dependent amination of UTP to CTP with either L-glutamine or ammonia as the source of nitrogen.

AlphaFold DB , UniProt , Accession A0A093I9W4, Species STRCA (Struthio camelus australis), Gene n/a, Length 591 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
1M95.9Very high94.7Very high56 Ų5621.8 Ų21.828%0.27611%0.114SC..  0124.70-163.558.766.200110.7Y3 A129 R130 E139 P140 Q141 C143M1-Y3 HydrophobicContact CB-CE2 4.3Å; M1-Y3 HydrophobicContact CG-CD1 4.38Å; M1-Y3 HydrophobicContact CG-CE1 3.71Å; M1-Y3 HydrophobicContact CG-CE2 3.87Å; M1-Y3 VanDerWaalsContact CG-CZ 3.42Å; M1-A129 HydrophobicContact CE-CB 4.2Å; M1-A129 WeakPolarHBondContact CE-O 3.38Å; M1-A129 HydrophobicContact CG-CB 4.26Å; M1-A129 HydrophobicContact SD-CB 4.15Å; M1-R130 HydrophobicContact CE-CG 4.07Å; M1-E139 HydrophobicContact CE-CG 4.29Å; M1-P140 HydrophobicContact CE-CB 4.28Å; M1-P140 WeakPolarHBondContact CE-O 3.24Å; M1-Q141 CarbonylContact C-O 3.33Å; M1-Q141 VanDerWaalsContact CA-O 3.28Å; M1-Q141 WeakPolarHBondContact CA-O 3.25Å; M1-C143 HydrophobicContact SD-CB 4.15Å
2K98.3Very high93.8Very high32 Ų3227.8 Ų27.814%0.13916%0.159CC..EExtended strand (participates in β ladder)trans-112.9145.9169.3-52.7-65.4-178.5162.40108.5Q141 V142 C143 E173 N174 L270 L272K2-Q141 PolarHBondContact N-O 3.43Å; K2-V142 HydrophobicContact CB-CG2 4.34Å; K2-V142 CarbonylContact O-C 3.55Å; K2-V142 WeakPolarHBondContact O-CA 3.18Å; K2-C143 PolarHBondContact O-N 3.25Å; K2-E173 PolarHBondContact NZ-O 3.31Å; K2-E173 VanDerWaalsContact NZ-O 3.09Å; K2-N174 CarbonylContact C-O 3.57Å; K2-N174 HydrophobicContact CD-CB 4.24Å; K2-N174 VanDerWaalsContact CD-OD1 3.29Å; K2-N174 WeakPolarHBondContact CD-OD1 3.37Å; K2-N174 WeakPolarHBondContact CE-OD1 3.35Å; K2-N174 PolarHBondContact NZ-OD1 2.71Å; K2-L270 HydrophobicContact CB-CD1 4.38Å; K2-L270 HydrophobicContact CD-CB 4.45Å; K2-L270 WeakPolarHBondContact CD-O 3.46Å; K2-L270 WeakPolarHBondContact CE-O 2.93Å; K2-L270 PolarHBondContact NZ-O 2.92Å; K2-L272 HydrophobicContact CB-CD2 4.44Å; K2-L272 HydrophobicContact CG-CD2 3.71Å; K2-L272 HydrophobicContact CG-CG 4.47Å
3Y98.6Very high92.9Very high16 Ų1630.7 Ų30.76%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-120131.2-177.2-59.5-81.7000110.4M1 V125 A129 C143 I145 F166 A170 N174 F175 C176M1-Y3 HydrophobicContact CB-CE2 4.3Å; M1-Y3 HydrophobicContact CG-CD1 4.38Å; M1-Y3 HydrophobicContact CG-CE1 3.71Å; M1-Y3 HydrophobicContact CG-CE2 3.87Å; M1-Y3 VanDerWaalsContact CG-CZ 3.42Å; Y3-V125 HydrophobicContact CD1-CG1 4.34Å; Y3-V125 HydrophobicContact CE1-CG1 4.08Å; Y3-A129 HydrophobicContact CE1-CB 3.66Å; Y3-C143 WeakPolarHBondContact CA-O 2.99Å; Y3-C143 HydrophobicContact CD1-CB 3.83Å; Y3-C143 HydrophobicContact CE1-CB 4.13Å; Y3-I145 HydrophobicContact CD1-CD1 3.93Å; Y3-F166 HydrophobicContact CD1-CE1 4.1Å; Y3-F166 HydrophobicContact CD1-CZ 4.14Å; Y3-F166 AromaticContact CD2-CE1 3.63Å; Y3-F166 HydrophobicContact CD2-CE1 3.63Å; Y3-F166 AromaticContact CD2-CZ 3.84Å; Y3-F166 HydrophobicContact CD2-CZ 3.84Å; Y3-F166 HydrophobicContact CE1-CE1 4.37Å; Y3-F166 AromaticContact CE1-CZ 3.95Å; Y3-F166 HydrophobicContact CE1-CZ 3.95Å; Y3-F166 AromaticContact CE2-CE1 3.95Å; Y3-F166 HydrophobicContact CE2-CE1 3.95Å; Y3-F166 AromaticContact CE2-CZ 3.64Å; Y3-F166 HydrophobicContact CE2-CZ 3.64Å; Y3-F166 AromaticContact CG-CE1 3.71Å; Y3-F166 HydrophobicContact CG-CE1 3.71Å; Y3-F166 HydrophobicContact CG-CZ 4.08Å; Y3-F166 AromaticContact CZ-CZ 3.69Å; Y3-A170 HydrophobicContact CD2-CB 4.3Å; Y3-N174 PolarHBondContact N-O 3.25Å; Y3-F175 CarbonylContact O-C 3.59Å; Y3-F175 WeakPolarHBondContact O-CA 2.98Å; Y3-C176 PolarHBondContact O-N 3.32Å
4I98.7Very high92.4Very high0 Ų028.6 Ų28.60%019%0.185CC..EExtended strand (participates in β ladder)trans-117.6103.3174.6-60.1176.1000107.4V6 I23 L27 V142 C143 I145 C176 I178 F266 L270I4-V6 HydrophobicContact CG2-CG2 4.39Å; I4-I23 HydrophobicContact CD1-CG2 3.98Å; I4-L27 HydrophobicContact CD1-CD1 3.58Å; I4-V142 HydrophobicContact CD1-CG1 3.84Å; I4-V142 HydrophobicContact CG1-CG1 4.14Å; I4-C143 PolarHBondContact N-O 3.23Å; I4-I145 PolarHBondContact O-N 3.19Å; I4-C176 CarbonylContact C-O 3.55Å; I4-C176 WeakPolarHBondContact CA-O 3.38Å; I4-C176 HydrophobicContact CG1-CB 4.36Å; I4-I178 HydrophobicContact CG2-CD1 3.43Å; I4-I178 VanDerWaalsContact CG2-CD1 3.43Å; I4-I178 HydrophobicContact CG2-CG1 3.97Å; I4-F266 HydrophobicContact CD1-CD1 4.26Å; I4-F266 HydrophobicContact CD1-CE1 3.98Å; I4-F266 HydrophobicContact CD1-CE2 4.47Å; I4-F266 HydrophobicContact CD1-CZ 4.1Å; I4-L270 HydrophobicContact CD1-CD1 4.06Å; I4-L270 HydrophobicContact CG1-CD1 3.84Å
5L98.6Very high92.2Very high0 Ų028.2 Ų28.20%019%0.188CC..EExtended strand (participates in β ladder)trans-84.8125.5175.1-179.667.4000109.8T7 I145 L147 F163 F175 C176 N177 I178 L209L5-T7 HydrophobicContact CD2-CG2 3.91Å; L5-T7 HydrophobicContact CG-CG2 3.92Å; L5-I145 CarbonylContact C-O 3.28Å; L5-I145 WeakPolarHBondContact CA-O 3.27Å; L5-I145 HydrophobicContact CD1-CB 4.08Å; L5-I145 HydrophobicContact CD1-CG2 3.76Å; L5-L147 HydrophobicContact CD1-CB 4.22Å; L5-F163 HydrophobicContact CD1-CD1 4.4Å; L5-F163 HydrophobicContact CD1-CD2 3.94Å; L5-F163 HydrophobicContact CD1-CE1 4.33Å; L5-F163 HydrophobicContact CD1-CE2 3.87Å; L5-F163 HydrophobicContact CD1-CG 4.23Å; L5-F163 HydrophobicContact CD1-CZ 4.08Å; L5-F163 HydrophobicContact CD2-CB 3.81Å; L5-F163 HydrophobicContact CD2-CD1 4.28Å; L5-F163 HydrophobicContact CD2-CD2 4Å; L5-F163 HydrophobicContact CD2-CG 3.76Å; L5-F175 HydrophobicContact CB-CE2 3.92Å; L5-F175 HydrophobicContact CB-CZ 3.69Å; L5-F175 HydrophobicContact CD2-CE2 4.47Å; L5-F175 HydrophobicContact CD2-CZ 3.76Å; L5-F175 HydrophobicContact CG-CZ 4.37Å; L5-C176 PolarHBondContact N-O 3.42Å; L5-N177 CarbonylContact O-C 3.58Å; L5-N177 WeakPolarHBondContact O-CA 3.2Å; L5-N177 PolarHBondContact O-OD1 3.06Å; L5-I178 PolarHBondContact O-N 3.01Å; L5-L209 HydrophobicContact CD2-CD1 3.9Å
6V98.4Very high92.3Very high0 Ų027.4 Ų27.40%018%0.18CC..EExtended strand (participates in β ladder)trans-109119.6174.7-1740000108.6I4 A20 V144 I145 L147 I178 V180I4-V6 HydrophobicContact CG2-CG2 4.39Å; V6-A20 HydrophobicContact CB-CB 4.32Å; V6-A20 HydrophobicContact CG1-CB 4.44Å; V6-A20 HydrophobicContact CG2-CB 3.93Å; V6-V144 HydrophobicContact CG2-CG1 4.3Å; V6-I145 PolarHBondContact N-O 2.9Å; V6-L147 PolarHBondContact O-N 3.24Å; V6-I178 CarbonylContact C-O 3.54Å; V6-I178 WeakPolarHBondContact CA-O 3.21Å; V6-I178 HydrophobicContact CG2-CB 4.3Å; V6-I178 HydrophobicContact CG2-CD1 4.43Å; V6-V180 HydrophobicContact CG1-CG2 3.74Å
7T97.5Very high92.4Very high0 Ų026 Ų260%017%0.172CC..EExtended strand (participates in β ladder)trans-115.2150.5-179.460.80000111.4L5 L147 I178 H179 V180 L204L5-T7 HydrophobicContact CD2-CG2 3.91Å; L5-T7 HydrophobicContact CG-CG2 3.92Å; T7-L147 HydrophobicContact CG2-CB 4.46Å; T7-L147 HydrophobicContact CG2-CD2 4.32Å; T7-I178 PolarHBondContact N-O 2.88Å; T7-I178 PolarHBondContact OG1-O 3.13Å; T7-H179 PolarHBondContact OG1-ND1 2.79Å; T7-V180 PolarHBondContact O-N 3.05Å; T7-L204 HydrophobicContact CG2-CD1 4.49Å
8G93.4Very high92.6Very high2 Ų226.4 Ų26.42%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-99140.417700000113V151G8-V151 WeakPolarHBondContact O-CB 3.27Å; G8-V151 WeakPolarHBondContact O-CG2 3.36Å; G8-V151 PolarHBondContact O-N 3.46Å
9G85.4Confident92.8Very high3 Ų325.4 Ų25.43%0.03117%0.165CC..  trans-97.4-111.9173.900000113.4I11 T150 V180 S200G9-I11 PolarHBondContact O-N 2.98Å; G9-T150 WeakPolarHBondContact O-CB 3.38Å; G9-T150 WeakPolarHBondContact O-CG2 3.29Å; G9-V180 PolarHBondContact N-O 2.7Å; G9-S200 WeakPolarHBondContact CA-OG 3.41Å
10V86.8Confident93Very high57 Ų5724.1 Ų24.135%0.34516%0.157SC..SBendtrans-62.1-34.5-156.7-173.40000115.7L182 P196V10-L182 HydrophobicContact CB-CB 4.09Å; V10-L182 HydrophobicContact CG2-CB 4.33Å; V10-P196 HydrophobicContact CB-CB 4.38Å; V10-P196 HydrophobicContact CG1-CB 3.83Å; V10-P196 HydrophobicContact CG2-CB 3.55Å
11I90.1Very high93.1Very high74 Ų7423 Ų2338%0.37915%0.149SC..  trans-142.6152.8-177.159.9166.9000111.3G9 I14 T150 L182G9-I11 PolarHBondContact O-N 2.98Å; I11-I14 HydrophobicContact CG1-CB 4.16Å; I11-I14 HydrophobicContact CG1-CD1 4.48Å; I11-I14 HydrophobicContact CG1-CG1 4.45Å; I11-T150 VanDerWaalsContact C-CG2 3.45Å; I11-L182 HydrophobicContact CD1-CD2 3.87Å; I11-L182 HydrophobicContact CG1-CD2 4.23Å
12S83.3Confident93.2Very high93 Ų9320.3 Ų20.365%0.6514%0.136SC*.THydrogen-bonded Turntrans-68160.2161.860.90000110.4I14S12-I14 PolarHBondContact O-N 3.36Å
13G82.4Confident93.1Very high66 Ų6618.9 Ų18.968%0.6813%0.13SC*.THydrogen-bonded Turntrans69.510.3-178.700000115.5G15 R217G13-G15 PolarHBondContact O-N 3.49Å; G13-R217 PolarHBondContact O-NH1 3.41Å
14I86.8Confident93Very high2 Ų218.1 Ų18.11%0.0113%0.127CC..SBendtrans-65.4-6.7177.8-158.2168000113.8I11 S12 K16 V180 L182 R217I11-I14 HydrophobicContact CG1-CB 4.16Å; I11-I14 HydrophobicContact CG1-CD1 4.48Å; I11-I14 HydrophobicContact CG1-CG1 4.45Å; S12-I14 PolarHBondContact O-N 3.36Å; I14-K16 HydrophobicContact CG2-CG 3.88Å; I14-V180 HydrophobicContact CD1-CG1 4.27Å; I14-V180 HydrophobicContact CG1-CG1 4.28Å; I14-V180 HydrophobicContact CG2-CB 4.36Å; I14-V180 HydrophobicContact CG2-CG1 3.85Å; I14-L182 HydrophobicContact CD1-CB 3.67Å; I14-R217 HydrophobicContact CD1-CB 4.27Å; I14-R217 HydrophobicContact CG1-CB 3.93Å; I14-R217 HydrophobicContact CG1-CG 4.46Å; I14-R217 WeakPolarHBondContact O-CD 3.47Å; I14-R217 PolarHBondContact O-NH1 3.49Å
15G89.3Confident92.8Very high22 Ų2218.1 Ų18.123%0.22713%0.127CC..  trans9032.8179.100000113.4G13 G17 I18 I19G13-G15 PolarHBondContact O-N 3.49Å; G15-G17 PolarHBondContact O-N 3.29Å; G15-I18 PolarHBondContact O-N 2.87Å; G15-I19 WeakPolarHBondContact O-CG1 3.33Å; G15-I19 PolarHBondContact O-N 3Å; G15-I19 VanDerWaalsContact O-N 3.09Å
16K93.9Very high92.6Very high15 Ų1518.2 Ų18.27%0.06513%0.127CC..Hα-helixtrans-52.9-51.2172.8-70.8-169.3-62.8-80.40111.9I14 I18 I19 A20 E146 L147 G149I14-K16 HydrophobicContact CG2-CG 3.88Å; K16-I18 VanDerWaalsContact C-N 3.26Å; K16-I18 PolarHBondContact O-N 3.33Å; K16-I19 PolarHBondContact O-N 3.44Å; K16-I19 VanDerWaalsContact O-N 3.09Å; K16-A20 WeakPolarHBondContact O-CB 3.31Å; K16-A20 PolarHBondContact O-N 3.5Å; K16-E146 HydrophobicContact CB-CG 4.19Å; K16-E146 WeakPolarHBondContact CB-OE1 3.23Å; K16-E146 WeakPolarHBondContact CE-OE1 3.43Å; K16-L147 WeakPolarHBondContact CD-O 3.25Å; K16-L147 VanDerWaalsContact CE-O 3.25Å; K16-L147 WeakPolarHBondContact CE-O 3.32Å; K16-G149 PolarHBondContact NZ-O 3.47Å
17G93.9Very high92.5Very high4 Ų418.2 Ų18.24%0.04113%0.127CC..Hα-helixtrans-55.6-37.6177.200000113.4G15 S21 E146G15-G17 PolarHBondContact O-N 3.29Å; G17-S21 WeakPolarHBondContact O-CB 3.43Å; G17-S21 PolarHBondContact O-N 3.42Å; G17-S21 PolarHBondContact O-OG 3.33Å; G17-E146 WeakPolarHBondContact CA-OE2 3.43Å; G17-E146 PolarHBondContact N-OE1 2.89Å
18I94.9Very high92.3Very high33 Ų3320.3 Ų20.317%0.16914%0.137CC..Hα-helixtrans-69-42.6176.1-59.6-60.3000111.7G15 K16 S21 S22 F77 I250 V253G15-I18 PolarHBondContact O-N 2.87Å; K16-I18 VanDerWaalsContact C-N 3.26Å; K16-I18 PolarHBondContact O-N 3.33Å; I18-S21 WeakPolarHBondContact CA-OG 3.24Å; I18-S21 PolarHBondContact O-OG 3.39Å; I18-S21 VanDerWaalsContact O-OG 3.11Å; I18-S22 WeakPolarHBondContact O-CB 3.35Å; I18-S22 PolarHBondContact O-N 3.44Å; I18-S22 PolarHBondContact O-OG 3.21Å; I18-F77 HydrophobicContact CD1-CZ 4.33Å; I18-I250 HydrophobicContact CD1-CB 4.41Å; I18-I250 HydrophobicContact CD1-CG2 4.23Å; I18-V253 HydrophobicContact CG2-CB 4.08Å; I18-V253 HydrophobicContact CG2-CG1 4.07Å; I18-V253 HydrophobicContact CG2-CG2 3.91Å
19I96.5Very high92.2Very high7 Ų720.9 Ų20.94%0.03614%0.141CC..Hα-helixtrans-64.8-48.7176.5-62.4-54.3000110.9G15 K16 S22 I23 V180 V215 V244 V253G15-I19 WeakPolarHBondContact O-CG1 3.33Å; G15-I19 PolarHBondContact O-N 3Å; G15-I19 VanDerWaalsContact O-N 3.09Å; K16-I19 PolarHBondContact O-N 3.44Å; K16-I19 VanDerWaalsContact O-N 3.09Å; I19-S22 PolarHBondContact O-N 3.05Å; I19-I23 HydrophobicContact CG2-CD1 3.84Å; I19-I23 WeakPolarHBondContact O-CD1 3.35Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 2.95Å; I19-V180 HydrophobicContact CB-CG2 4.25Å; I19-V180 HydrophobicContact CG1-CG1 4.32Å; I19-V180 HydrophobicContact CG1-CG2 4.25Å; I19-V180 HydrophobicContact CG2-CG2 4.12Å; I19-V215 HydrophobicContact CD1-CG1 3.83Å; I19-V215 HydrophobicContact CG1-CG1 4.07Å; I19-V215 HydrophobicContact CG2-CG1 4.36Å; I19-V215 HydrophobicContact CG2-CG2 4.19Å; I19-V244 HydrophobicContact CD1-CB 4.39Å; I19-V244 HydrophobicContact CD1-CG1 4.14Å; I19-V244 HydrophobicContact CD1-CG2 3.87Å; I19-V253 HydrophobicContact CD1-CG1 4.03Å
20A97.1Very high92.5Very high0 Ų021.8 Ų21.80%015%0.146CC..Hα-helixtrans-62.2-47.8-179.100000111.7V6 K16 S22 I23 G24 Y74 V144 E146V6-A20 HydrophobicContact CB-CB 4.32Å; V6-A20 HydrophobicContact CG1-CB 4.44Å; V6-A20 HydrophobicContact CG2-CB 3.93Å; K16-A20 WeakPolarHBondContact O-CB 3.31Å; K16-A20 PolarHBondContact O-N 3.5Å; A20-S22 PolarHBondContact O-N 3.24Å; A20-I23 PolarHBondContact O-N 3.04Å; A20-G24 PolarHBondContact O-N 3.5Å; A20-Y74 HydrophobicContact CB-CE1 3.79Å; A20-Y74 WeakPolarHBondContact CB-OH 3.45Å; A20-V144 HydrophobicContact CB-CG1 3.85Å; A20-E146 HydrophobicContact CB-CB 4.48Å
21S96.3Very high92.7Very high0 Ų021.9 Ų21.90%016%0.159CC..Hα-helixtrans-63.5-39.7175.457.60000112.3G17 I18 I23 G24 T25G17-S21 WeakPolarHBondContact O-CB 3.43Å; G17-S21 PolarHBondContact O-N 3.42Å; G17-S21 PolarHBondContact O-OG 3.33Å; I18-S21 WeakPolarHBondContact CA-OG 3.24Å; I18-S21 PolarHBondContact O-OG 3.39Å; I18-S21 VanDerWaalsContact O-OG 3.11Å; S21-I23 PolarHBondContact O-N 3.38Å; S21-G24 CarbonylContact O-C 3.56Å; S21-G24 WeakPolarHBondContact O-CA 3.27Å; S21-G24 PolarHBondContact O-N 3.08Å; S21-G24 VanDerWaalsContact O-N 3.12Å; S21-T25 PolarHBondContact O-N 3.29Å; S21-T25 PolarHBondContact O-OG1 2.98Å; S21-T25 VanDerWaalsContact O-OG1 3.14Å
22S96.4Very high92.9Very high0 Ų018.7 Ų18.70%014%0.143CC..Hα-helixtrans-62.4-41.1176.7-63.30000112.4I18 I19 A20 G24 T25 I26 V253I18-S22 WeakPolarHBondContact O-CB 3.35Å; I18-S22 PolarHBondContact O-N 3.44Å; I18-S22 PolarHBondContact O-OG 3.21Å; I19-S22 PolarHBondContact O-N 3.05Å; A20-S22 PolarHBondContact O-N 3.24Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-T25 PolarHBondContact O-N 3.46Å; S22-I26 WeakPolarHBondContact O-CD1 3.49Å; S22-I26 WeakPolarHBondContact O-CG1 3.26Å; S22-I26 PolarHBondContact O-N 3.38Å; S22-V253 WeakPolarHBondContact OG-CG1 3.48Å
23I96.8Very high93.6Very high3 Ų316.2 Ų16.22%0.01512%0.12CC..Hα-helixtrans-61.8-43.9173.2-69.5157.9000110.4I4 I19 A20 S21 T25 I26 L27 I178 L257 F266I4-I23 HydrophobicContact CD1-CG2 3.98Å; I19-I23 HydrophobicContact CG2-CD1 3.84Å; I19-I23 WeakPolarHBondContact O-CD1 3.35Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 2.95Å; A20-I23 PolarHBondContact O-N 3.04Å; S21-I23 PolarHBondContact O-N 3.38Å; I23-T25 PolarHBondContact O-N 3.37Å; I23-I26 PolarHBondContact O-N 2.78Å; I23-L27 HydrophobicContact CG2-CD1 3.9Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CG 3.26Å; I23-L27 PolarHBondContact O-N 2.79Å; I23-I178 HydrophobicContact CD1-CD1 3.26Å; I23-I178 HydrophobicContact CG1-CD1 4.46Å; I23-L257 HydrophobicContact CG1-CD1 4.27Å; I23-F266 HydrophobicContact CD1-CZ 4.44Å; I23-F266 HydrophobicContact CG1-CE2 4.33Å; I23-F266 HydrophobicContact CG1-CZ 4.42Å; I23-F266 HydrophobicContact CG2-CE2 3.62Å; I23-F266 HydrophobicContact CG2-CZ 3.87Å
24G96.2Very high94.3Very high0 Ų013 Ų130%09%0.088CC..Hα-helixtrans-57.4-48174.800000112.6A20 S21 S22 I26 L27 K28A20-G24 PolarHBondContact O-N 3.5Å; S21-G24 CarbonylContact O-C 3.56Å; S21-G24 WeakPolarHBondContact O-CA 3.27Å; S21-G24 PolarHBondContact O-N 3.08Å; S21-G24 VanDerWaalsContact O-N 3.12Å; S22-G24 VanDerWaalsContact C-N 3.32Å; G24-I26 VanDerWaalsContact C-N 3.35Å; G24-I26 PolarHBondContact O-N 3.32Å; G24-L27 PolarHBondContact O-N 3.19Å; G24-K28 WeakPolarHBondContact O-CB 3.33Å; G24-K28 PolarHBondContact O-N 3.48Å
25T94.8Very high94.8Very high0 Ų013 Ų130%09%0.087CC..Hα-helixtrans-58.5-44.1175.4-61.40000112.1S21 S22 I23 K28 S29 F77 M281 W285S21-T25 PolarHBondContact O-N 3.29Å; S21-T25 PolarHBondContact O-OG1 2.98Å; S21-T25 VanDerWaalsContact O-OG1 3.14Å; S22-T25 PolarHBondContact O-N 3.46Å; I23-T25 PolarHBondContact O-N 3.37Å; T25-K28 PolarHBondContact O-N 3.47Å; T25-S29 WeakPolarHBondContact O-CB 3.41Å; T25-S29 PolarHBondContact O-N 3.02Å; T25-F77 PolarHBondContact OG1-O 3.01Å; T25-M281 HydrophobicContact CG2-CE 4.12Å; T25-W285 HydrophobicContact CG2-CD2 4.06Å; T25-W285 VanDerWaalsContact CG2-CE2 3.46Å; T25-W285 HydrophobicContact CG2-CG 4.44Å; T25-W285 HydrophobicContact CG2-CH2 4.44Å; T25-W285 HydrophobicContact CG2-CZ2 3.71Å
26I94.6Very high95.2Very high1 Ų112 Ų121%0.0058%0.077CC..Hα-helixtrans-63.1-47.2178.9-70164.9000110.6S22 I23 G24 S29 C30 P254 L257 V263S22-I26 WeakPolarHBondContact O-CD1 3.49Å; S22-I26 WeakPolarHBondContact O-CG1 3.26Å; S22-I26 PolarHBondContact O-N 3.38Å; I23-I26 PolarHBondContact O-N 2.78Å; G24-I26 VanDerWaalsContact C-N 3.35Å; G24-I26 PolarHBondContact O-N 3.32Å; I26-S29 WeakPolarHBondContact O-CB 3.47Å; I26-S29 PolarHBondContact O-N 3.13Å; I26-S29 PolarHBondContact O-OG 2.93Å; I26-C30 PolarHBondContact O-N 3.42Å; I26-C30 VanDerWaalsContact O-N 3.13Å; I26-C30 PolarHBondContact O-SG 3.1Å; I26-P254 WeakPolarHBondContact CD1-O 3.32Å; I26-P254 HydrophobicContact CG1-CB 4.19Å; I26-L257 HydrophobicContact CD1-CB 3.65Å; I26-L257 HydrophobicContact CD1-CD1 4.22Å; I26-V263 HydrophobicContact CG2-CG2 3.17Å
27L95.1Very high95.4Very high0 Ų011.2 Ų11.20%07%0.074CC..Hα-helixtrans-67.7-37.8179.7-66.5174.9000112I4 I23 G24 S29 C30 L32 V34 V142 F266 L272 I274I4-L27 HydrophobicContact CD1-CD1 3.58Å; I23-L27 HydrophobicContact CG2-CD1 3.9Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CG 3.26Å; I23-L27 PolarHBondContact O-N 2.79Å; G24-L27 PolarHBondContact O-N 3.19Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 2.73Å; L27-C30 WeakPolarHBondContact O-CA 3.22Å; L27-C30 VanDerWaalsContact O-CB 3.29Å; L27-C30 WeakPolarHBondContact O-CB 3.35Å; L27-C30 PolarHBondContact O-N 3.37Å; L27-L32 HydrophobicContact CB-CD1 4.34Å; L27-L32 HydrophobicContact CD2-CD1 4.13Å; L27-L32 WeakPolarHBondContact O-CB 3.32Å; L27-L32 PolarHBondContact O-N 3.31Å; L27-V34 HydrophobicContact CB-CG2 3.83Å; L27-V142 HydrophobicContact CD1-CB 4.49Å; L27-V142 HydrophobicContact CD1-CG1 3.93Å; L27-V142 HydrophobicContact CD1-CG2 4.49Å; L27-F266 HydrophobicContact CD2-CB 4.47Å; L27-F266 HydrophobicContact CD2-CD2 4.11Å; L27-L272 HydrophobicContact CD2-CD1 4.12Å; L27-I274 HydrophobicContact CD2-CD1 4.23Å
28K93.3Very high95.6Very high44 Ų4411.3 Ų11.319%0.1917%0.073CC..Hα-helixtrans-63.6-38.5172.2-165168.1-174163.50111.5G24 T25 C30 G31 L32 V34 L78 D79 D134 M281G24-K28 WeakPolarHBondContact O-CB 3.33Å; G24-K28 PolarHBondContact O-N 3.48Å; T25-K28 PolarHBondContact O-N 3.47Å; K28-C30 PolarHBondContact O-N 2.89Å; K28-G31 PolarHBondContact O-N 2.93Å; K28-L32 WeakPolarHBondContact CA-O 3.37Å; K28-V34 HydrophobicContact CB-CG2 4.35Å; K28-L78 HydrophobicContact CD-CB 4.44Å; K28-L78 WeakPolarHBondContact CD-O 3.31Å; K28-L78 WeakPolarHBondContact CE-O 3.38Å; K28-L78 PolarHBondContact NZ-O 3.35Å; K28-D79 PolarHBondContact NZ-O 3.19Å; K28-D134 IonicContact NZ-OD1 2.96Å; K28-D134 PolarHBondContact NZ-OD1 3.16Å; K28-D134 IonicContact NZ-OD2 2.64Å; K28-M281 HydrophobicContact CB-SD 4.43Å; K28-M281 HydrophobicContact CG-SD 4.41Å
29S92.2Very high95.7Very high15 Ų159.7 Ų9.711%0.1057%0.065CC..Hα-helixtrans-65.8-17.817383.70000113.9T25 I26 L27 G31T25-S29 WeakPolarHBondContact O-CB 3.41Å; T25-S29 PolarHBondContact O-N 3.02Å; I26-S29 WeakPolarHBondContact O-CB 3.47Å; I26-S29 PolarHBondContact O-N 3.13Å; I26-S29 PolarHBondContact O-OG 2.93Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 2.73Å; S29-G31 VanDerWaalsContact C-N 3.3Å
30C92.4Very high95.7Very high21 Ų219.6 Ų9.614%0.1426%0.064CC..THydrogen-bonded Turntrans-86.53.7172.4-63.10000113.2I26 L27 K28 I274I26-C30 PolarHBondContact O-N 3.42Å; I26-C30 VanDerWaalsContact O-N 3.13Å; I26-C30 PolarHBondContact O-SG 3.1Å; L27-C30 WeakPolarHBondContact O-CA 3.22Å; L27-C30 VanDerWaalsContact O-CB 3.29Å; L27-C30 WeakPolarHBondContact O-CB 3.35Å; L27-C30 PolarHBondContact O-N 3.37Å; K28-C30 PolarHBondContact O-N 2.89Å; C30-I274 HydrophobicContact CB-CG1 4.28Å; C30-I274 HydrophobicContact CB-CG2 3.95Å
31G91.4Very high95.6Very high60 Ų6010.1 Ų10.162%0.6197%0.068SC*.THydrogen-bonded Turntrans8514.7179.300000114.7K28 S29K28-G31 PolarHBondContact O-N 2.93Å; S29-G31 VanDerWaalsContact C-N 3.3Å
32L94.1Very high95.4Very high7 Ų711.3 Ų11.34%0.0377%0.072CC..  trans-92.9143.3177.4-58.6173.9000111.1L27 K28 V34 V142 L272 P273 I274L27-L32 HydrophobicContact CB-CD1 4.34Å; L27-L32 HydrophobicContact CD2-CD1 4.13Å; L27-L32 WeakPolarHBondContact O-CB 3.32Å; L27-L32 PolarHBondContact O-N 3.31Å; K28-L32 WeakPolarHBondContact CA-O 3.37Å; L32-V34 HydrophobicContact CB-CG2 4.47Å; L32-V142 HydrophobicContact CD1-CG2 4.15Å; L32-L272 HydrophobicContact CD1-CB 4.49Å; L32-L272 HydrophobicContact CD1-CD1 4.15Å; L32-L272 HydrophobicContact CD1-CD2 4Å; L32-L272 HydrophobicContact CD1-CG 4.46Å; L32-P273 HydrophobicContact CD2-CG 4.12Å; L32-I274 HydrophobicContact CD1-CD1 4.4Å; L32-I274 HydrophobicContact CD1-CG1 4.12Å
33H96.3Very high95.4Very high40 Ų4017.3 Ų17.319%0.18510%0.103CC..  trans-76.8124.9167.6-65-77.6000109.9D134 D136 Q141 V142H33-D134 IonicContact ND1-OD2 2.75Å; H33-D134 PolarHBondContact ND1-OD2 3.22Å; H33-D136 IonicContact CE1-OD2 2.62Å; H33-D136 PolarHBondContact CE1-OD2 3.38Å; H33-D136 IonicContact ND1-OD2 3.91Å; H33-Q141 PolarHBondContact O-N 2.71Å; H33-V142 PolarHBondContact O-N 3.31Å; H33-V142 VanDerWaalsContact O-N 3.16Å
34V97.3Very high95.3Very high0 Ų020.3 Ų20.30%012%0.119CC..EExtended strand (participates in β ladder)trans-125.3129.9-173.7-174.40000110.3L27 K28 L32 L78 V142 V144L27-V34 HydrophobicContact CB-CG2 3.83Å; K28-V34 HydrophobicContact CB-CG2 4.35Å; L32-V34 HydrophobicContact CB-CG2 4.47Å; V34-L78 HydrophobicContact CB-CD2 4.01Å; V34-L78 HydrophobicContact CG1-CD2 3.69Å; V34-V142 WeakPolarHBondContact CA-O 2.9Å; V34-V142 HydrophobicContact CG2-CB 4.49Å; V34-V144 HydrophobicContact CG1-CG2 3.94Å
35T98.2Very high95.2Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-113.1164.6169.2-170.80000111.2A129 V133 P140 V142 C143 V144T35-A129 WeakPolarHBondContact CG2-O 3.43Å; T35-V133 WeakPolarHBondContact OG1-CG1 3.43Å; T35-P140 HydrophobicContact CG2-CB 3.82Å; T35-P140 HydrophobicContact CG2-CG 3.91Å; T35-V142 PolarHBondContact N-O 3.42Å; T35-C143 HydrophobicContact CG2-CB 3.71Å; T35-C143 WeakPolarHBondContact O-CA 3.11Å; T35-V144 PolarHBondContact O-N 3.37Å
36S98.1Very high95.1Very high1 Ų126.7 Ų26.71%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-127.6141.8178-170.70000111.6Y74 N86 V144S36-Y74 WeakPolarHBondContact OG-CD1 3.37Å; S36-Y74 WeakPolarHBondContact OG-CE1 3.44Å; S36-Y74 VanDerWaalsContact OG-CG 3.31Å; S36-N86 PolarHBondContact O-ND2 3Å; S36-V144 CarbonylContact C-O 3.38Å; S36-V144 VanDerWaalsContact CA-O 3.27Å; S36-V144 WeakPolarHBondContact CA-O 3.39Å
37I98.4Very high94.8Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-128.6122.2169.2-61.4175.6000107.9I39 N86 V125 Q128 A129 V144 I145 E146I37-I39 HydrophobicContact CG2-CG1 4.41Å; I37-N86 WeakPolarHBondContact CA-O 3.31Å; I37-V125 HydrophobicContact CD1-CB 4.45Å; I37-V125 HydrophobicContact CD1-CG1 4.2Å; I37-Q128 HydrophobicContact CD1-CB 3.83Å; I37-Q128 HydrophobicContact CG1-CB 4.45Å; I37-A129 HydrophobicContact CD1-CB 4.42Å; I37-V144 PolarHBondContact N-O 3.45Å; I37-I145 HydrophobicContact CB-CG1 4.47Å; I37-I145 CarbonylContact O-C 3.54Å; I37-I145 VanDerWaalsContact O-CA 3.29Å; I37-I145 WeakPolarHBondContact O-CA 3.5Å; I37-E146 PolarHBondContact O-N 3.12Å
38K97.6Very high94.5Very high5 Ų527.4 Ų27.42%0.02216%0.16CC..EExtended strand (participates in β ladder)trans-99.6127.5173179.164.4166.462.10108.9D40 D70 L71 N86 L88 E146K38-D40 IonicContact NZ-OD1 2.63Å; K38-D40 PolarHBondContact NZ-OD1 2.97Å; K38-D40 IonicContact NZ-OD2 3.87Å; K38-D70 HydrophobicContact CD-CB 4.47Å; K38-D70 WeakPolarHBondContact CE-OD2 3.49Å; K38-L71 HydrophobicContact CB-CD1 3.45Å; K38-L71 VanDerWaalsContact CB-CD1 3.45Å; K38-L71 HydrophobicContact CB-CG 4.34Å; K38-L71 HydrophobicContact CG-CD1 3.78Å; K38-N86 PolarHBondContact N-O 2.84Å; K38-L88 PolarHBondContact O-N 3.28Å; K38-E146 HydrophobicContact CD-CB 3.79Å; K38-E146 VanDerWaalsContact CD-CD 3.45Å; K38-E146 HydrophobicContact CD-CG 3.75Å; K38-E146 VanDerWaalsContact CD-OE2 3.23Å; K38-E146 WeakPolarHBondContact CD-OE2 3.44Å; K38-E146 WeakPolarHBondContact CE-OE1 3.46Å; K38-E146 WeakPolarHBondContact CE-OE2 3.45Å
39I97.6Very high94.3Very high0 Ų030.5 Ų30.50%018%0.182CC..EExtended strand (participates in β ladder)trans-103.2130.2172-63.5169.6000108.6I37 L88 I145 E146 L147 G148 F159 F163I37-I39 HydrophobicContact CG2-CG1 4.41Å; I39-L88 CarbonylContact C-O 3.58Å; I39-L88 VanDerWaalsContact CA-O 3.29Å; I39-L88 WeakPolarHBondContact CA-O 3.25Å; I39-L88 HydrophobicContact CG1-CB 4.12Å; I39-L88 HydrophobicContact CG1-CD2 4.26Å; I39-I145 HydrophobicContact CD1-CG2 3.86Å; I39-I145 HydrophobicContact CG1-CG2 4.45Å; I39-E146 PolarHBondContact N-O 2.9Å; I39-L147 HydrophobicContact CB-CD1 3.98Å; I39-L147 HydrophobicContact CG2-CD1 3.6Å; I39-G148 VanDerWaalsContact O-CA 3.3Å; I39-G148 WeakPolarHBondContact O-CA 3.45Å; I39-G148 PolarHBondContact O-N 2.88Å; I39-F159 HydrophobicContact CD1-CD1 4.44Å; I39-F159 HydrophobicContact CG2-CD1 3.42Å; I39-F159 VanDerWaalsContact CG2-CD1 3.42Å; I39-F159 HydrophobicContact CG2-CD2 4.11Å; I39-F159 HydrophobicContact CG2-CE1 3.42Å; I39-F159 VanDerWaalsContact CG2-CE1 3.42Å; I39-F159 HydrophobicContact CG2-CE2 4.12Å; I39-F159 HydrophobicContact CG2-CG 3.77Å; I39-F159 HydrophobicContact CG2-CZ 3.77Å; I39-F163 HydrophobicContact CD1-CE2 3.36Å; I39-F163 HydrophobicContact CD1-CZ 3.46Å; I39-F163 VanDerWaalsContact CD1-CZ 3.46Å
40D95.4Very high93.9Very high5 Ų531 Ų313%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-117.1117.1179.4-76.8-51.6000110.4K38 Y42 N87 L88 T89 T90K38-D40 IonicContact NZ-OD1 2.63Å; K38-D40 PolarHBondContact NZ-OD1 2.97Å; K38-D40 IonicContact NZ-OD2 3.87Å; D40-Y42 HydrophobicContact CB-CD1 3.71Å; D40-Y42 HydrophobicContact CB-CE1 3.38Å; D40-Y42 HydrophobicContact CB-CE2 4.31Å; D40-Y42 HydrophobicContact CB-CG 4.28Å; D40-Y42 VanDerWaalsContact CG-CE1 3.47Å; D40-Y42 PolarHBondContact O-N 2.87Å; D40-N87 PolarHBondContact OD2-ND2 3.07Å; D40-L88 PolarHBondContact N-O 3.33Å; D40-T89 HydrophobicContact CB-CG2 4.16Å; D40-T89 VanDerWaalsContact O-CA 3.29Å; D40-T89 WeakPolarHBondContact O-CA 3.36Å; D40-T90 PolarHBondContact O-N 3.39Å
41P94.4Very high93.4Very high11 Ų1132.1 Ų32.17%0.07119%0.191CC..  trans-73-9.6-177.128-32.8000113.5T90 E155 F159P41-T90 VanDerWaalsContact C-OG1 3.27Å; P41-T90 PolarHBondContact O-OG1 3.47Å; P41-E155 HydrophobicContact CB-CB 3.72Å; P41-F159 HydrophobicContact CB-CE2 4.42Å
42Y93.5Very high92.8Very high24 Ų2430.6 Ų30.69%0.09417%0.17CC..SBendtrans-67.2158.3177.365.2-115.6000112.9D40 N44 F50 T89 T90D40-Y42 HydrophobicContact CB-CD1 3.71Å; D40-Y42 HydrophobicContact CB-CE1 3.38Å; D40-Y42 HydrophobicContact CB-CE2 4.31Å; D40-Y42 HydrophobicContact CB-CG 4.28Å; D40-Y42 VanDerWaalsContact CG-CE1 3.47Å; D40-Y42 PolarHBondContact O-N 2.87Å; Y42-N44 HydrophobicContact CD2-CB 3.78Å; Y42-N44 WeakPolarHBondContact CD2-O 3.41Å; Y42-N44 HydrophobicContact CE2-CB 3.85Å; Y42-N44 VanDerWaalsContact CE2-O 3.24Å; Y42-N44 WeakPolarHBondContact CE2-O 3.46Å; Y42-F50 HydrophobicContact CD1-CE2 4.42Å; Y42-F50 HydrophobicContact CD1-CZ 4.09Å; Y42-F50 AromaticContact CD2-CZ 3.92Å; Y42-F50 HydrophobicContact CD2-CZ 3.92Å; Y42-F50 AromaticContact CE1-CE2 3.91Å; Y42-F50 HydrophobicContact CE1-CE2 3.91Å; Y42-F50 AromaticContact CE1-CZ 3.94Å; Y42-F50 HydrophobicContact CE1-CZ 3.94Å; Y42-F50 HydrophobicContact CE2-CE2 4.25Å; Y42-F50 AromaticContact CE2-CZ 3.76Å; Y42-F50 HydrophobicContact CE2-CZ 3.76Å; Y42-F50 HydrophobicContact CG-CZ 4.1Å; Y42-F50 AromaticContact CZ-CE2 3.83Å; Y42-F50 AromaticContact CZ-CZ 3.8Å; Y42-T89 HydrophobicContact CD2-CG2 4.35Å; Y42-T89 HydrophobicContact CE2-CG2 3.55Å; Y42-T90 VanDerWaalsContact O-CB 3.31Å; Y42-T90 WeakPolarHBondContact O-CB 3.31Å; Y42-T90 PolarHBondContact O-N 3.17Å
43I95.5Very high91.9Very high127 Ų12734.1 Ų34.165%0.65118%0.184SC*.SBendtrans-83.3-27.5-173.1-62.7175.2000113I45 G91I43-I45 PolarHBondContact O-N 3.14Å; I43-G91 WeakPolarHBondContact O-CA 3.38Å; I43-G91 PolarHBondContact O-N 3.06Å
44N95Very high90.8Very high65 Ų6539.3 Ų39.335%0.34821%0.208SC..  trans-52.3139.9176.3-64.259.3000111.2Y42 D46 T49 F50 T89Y42-N44 HydrophobicContact CD2-CB 3.78Å; Y42-N44 WeakPolarHBondContact CD2-O 3.41Å; Y42-N44 HydrophobicContact CE2-CB 3.85Å; Y42-N44 VanDerWaalsContact CE2-O 3.24Å; Y42-N44 WeakPolarHBondContact CE2-O 3.46Å; N44-D46 VanDerWaalsContact C-N 3.29Å; N44-D46 WeakPolarHBondContact CB-O 3.37Å; N44-T49 PolarHBondContact ND2-OG1 3.46Å; N44-F50 HydrophobicContact CB-CE1 3.78Å; N44-F50 HydrophobicContact CB-CZ 4Å; N44-F50 WeakPolarHBondContact ND2-CE1 3.25Å; N44-T89 WeakPolarHBondContact O-CB 3.4Å; N44-T89 WeakPolarHBondContact O-CG2 3.38Å; N44-T89 PolarHBondContact O-OG1 3.42Å
45I93.9Very high89.6Confident77 Ų7743.9 Ų43.940%0.39523%0.229SC..SBendtrans-71-32.6-177.6-66.9172.8000110.9I43 T89 K92 Q95I43-I45 PolarHBondContact O-N 3.14Å; I45-T89 WeakPolarHBondContact O-CG2 3.16Å; I45-T89 PolarHBondContact O-OG1 3.27Å; I45-K92 WeakPolarHBondContact O-CE 3.32Å; I45-Q95 HydrophobicContact CD1-CB 4.46Å; I45-Q95 HydrophobicContact CD1-CG 4.43Å
46D91.9Very high88.9Confident58 Ų5844.2 Ų44.231%0.3123%0.233SC..SBendtrans-147.1175.318056.649.5000109.5N44 G48 E66N44-D46 VanDerWaalsContact C-N 3.29Å; N44-D46 WeakPolarHBondContact CB-O 3.37Å; D46-G48 PolarHBondContact OD1-N 3.35Å; D46-G48 VanDerWaalsContact OD1-N 3.11Å; D46-E66 WeakPolarHBondContact CB-O 3.48Å
47A90.1Very high88.4Confident2 Ų245.3 Ų45.32%0.01724%0.237CC..SBendtrans-89.5-3.9179.800000113.3T49 F50 V58 E66 V67A47-T49 PolarHBondContact O-N 2.89Å; A47-T49 VanDerWaalsContact O-N 3.08Å; A47-F50 HydrophobicContact CB-CD2 3.72Å; A47-F50 HydrophobicContact CB-CE2 3.96Å; A47-F50 WeakPolarHBondContact O-CB 3.47Å; A47-F50 PolarHBondContact O-N 3.06Å; A47-V58 HydrophobicContact CB-CG1 4.36Å; A47-V58 VanDerWaalsContact O-CG2 3.23Å; A47-V58 WeakPolarHBondContact O-CG2 3.4Å; A47-E66 PolarHBondContact N-O 3.36Å; A47-E66 VanDerWaalsContact N-O 3.08Å; A47-V67 VanDerWaalsContact CB-C 3.48Å
48G88.9Confident88.1Confident13 Ų1345.7 Ų45.713%0.13424%0.24CC..THydrogen-bonded Turntrans-62.9-25.3-167.200000114.6D46 E66 R479D46-G48 PolarHBondContact OD1-N 3.35Å; D46-G48 VanDerWaalsContact OD1-N 3.11Å; G48-E66 WeakPolarHBondContact CA-OE1 3.29Å; G48-R479 PolarHBondContact O-NH2 2.94Å
49T87.3Confident88Confident109 Ų10945.5 Ų45.567%0.66924%0.239SC*.THydrogen-bonded Turntrans-92.5-1179.8540000114N44 A47N44-T49 PolarHBondContact ND2-OG1 3.46Å; A47-T49 PolarHBondContact O-N 2.89Å; A47-T49 VanDerWaalsContact O-N 3.08Å
50F85.1Confident87.9Confident26 Ų2645.5 Ų45.511%0.11424%0.239CC..  trans-70.4143.9-179.8-69.4-22.2000112.9Y42 N44 A47 H55Y42-F50 HydrophobicContact CD1-CE2 4.42Å; Y42-F50 HydrophobicContact CD1-CZ 4.09Å; Y42-F50 AromaticContact CD2-CZ 3.92Å; Y42-F50 HydrophobicContact CD2-CZ 3.92Å; Y42-F50 AromaticContact CE1-CE2 3.91Å; Y42-F50 HydrophobicContact CE1-CE2 3.91Å; Y42-F50 AromaticContact CE1-CZ 3.94Å; Y42-F50 HydrophobicContact CE1-CZ 3.94Å; Y42-F50 HydrophobicContact CE2-CE2 4.25Å; Y42-F50 AromaticContact CE2-CZ 3.76Å; Y42-F50 HydrophobicContact CE2-CZ 3.76Å; Y42-F50 HydrophobicContact CG-CZ 4.1Å; Y42-F50 AromaticContact CZ-CE2 3.83Å; Y42-F50 AromaticContact CZ-CZ 3.8Å; N44-F50 HydrophobicContact CB-CE1 3.78Å; N44-F50 HydrophobicContact CB-CZ 4Å; N44-F50 WeakPolarHBondContact ND2-CE1 3.25Å; A47-F50 HydrophobicContact CB-CD2 3.72Å; A47-F50 HydrophobicContact CB-CE2 3.96Å; A47-F50 WeakPolarHBondContact O-CB 3.47Å; A47-F50 PolarHBondContact O-N 3.06Å; F50-H55 HydrophobicContact CB-CB 4.49Å; F50-H55 HydrophobicContact CD2-CB 3.58Å; F50-H55 HydrophobicContact CE2-CB 3.91Å; F50-H55 AromaticContact CE2-CG 3.95Å; F50-H55 HydrophobicContact CG-CB 4.13Å
51S81.8Confident88Confident45 Ų4545.2 Ų45.232%0.31524%0.238SC..  trans-74.2131162.3176.40000108.9Y53 E54S51-Y53 PolarHBondContact O-N 3.29Å; S51-Y53 PolarHBondContact OG-N 3.16Å; S51-E54 PolarHBondContact O-N 2.92Å
52P79.1Confident88.1Confident28 Ų2846.4 Ų46.418%0.18224%0.243CC..THydrogen-bonded Turntrans-58-14.4175.1-27.735.6000115.4G56 Y307 S313P52-G56 WeakPolarHBondContact CA-O 3.44Å; P52-G56 WeakPolarHBondContact O-CA 3.35Å; P52-Y307 HydrophobicContact CB-CD1 4.14Å; P52-Y307 HydrophobicContact CB-CD2 4.45Å; P52-Y307 HydrophobicContact CB-CE1 4.19Å; P52-Y307 HydrophobicContact CB-CE2 4.49Å; P52-Y307 HydrophobicContact CB-CG 4.33Å; P52-Y307 HydrophobicContact CG-CE1 4.32Å; P52-Y307 HydrophobicContact CG-CE2 4.3Å; P52-S313 PolarHBondContact O-OG 3.03Å
53Y74.9Confident88.2Confident81 Ų8148.4 Ų48.432%0.31826%0.256SS..THydrogen-bonded Turntrans-79.3-22.4175.4-75.6-58000114.3S51 K306 Y307 F310 R376S51-Y53 PolarHBondContact O-N 3.29Å; S51-Y53 PolarHBondContact OG-N 3.16Å; Y53-K306 PolarHBondContact OH-O 3.2Å; Y53-Y307 AromaticContact CD1-CD1 3.8Å; Y53-Y307 HydrophobicContact CD1-CD1 3.8Å; Y53-Y307 AromaticContact CD2-CD1 3.54Å; Y53-Y307 HydrophobicContact CD2-CD1 3.54Å; Y53-Y307 AromaticContact CD2-CE1 3.54Å; Y53-Y307 HydrophobicContact CD2-CE1 3.54Å; Y53-Y307 AromaticContact CE1-CD1 3.5Å; Y53-Y307 HydrophobicContact CE1-CD1 3.5Å; Y53-Y307 HydrophobicContact CE1-CE1 4.42Å; Y53-Y307 HydrophobicContact CE1-CG 4.24Å; Y53-Y307 AromaticContact CE2-CD1 3.22Å; Y53-Y307 HydrophobicContact CE2-CD1 3.22Å; Y53-Y307 AromaticContact CE2-CE1 3.28Å; Y53-Y307 HydrophobicContact CE2-CE1 3.28Å; Y53-Y307 HydrophobicContact CE2-CG 4.44Å; Y53-Y307 AromaticContact CG-CD1 3.82Å; Y53-Y307 HydrophobicContact CG-CD1 3.82Å; Y53-Y307 HydrophobicContact CG-CE1 4.21Å; Y53-Y307 AromaticContact CZ-CD1 3.18Å; Y53-Y307 AromaticContact CZ-CE1 3.77Å; Y53-F310 AromaticContact CD1-CD2 3.79Å; Y53-F310 HydrophobicContact CD1-CD2 3.79Å; Y53-F310 HydrophobicContact CD1-CE2 4.18Å; Y53-F310 HydrophobicContact CE1-CD2 4.32Å; Y53-R376 PolarHBondContact OH-NH2 2.92Å
54E72.1Confident88.1Confident148 Ų14843.1 Ų43.169%0.69223%0.232SC*.THydrogen-bonded Turntrans-96.1-54.5-172.6-68.2-177.1166.800111.7S51S51-E54 PolarHBondContact O-N 2.92Å
55H73.5Confident88.1Confident97 Ų9740.2 Ų40.245%0.44922%0.218SC..SBendtrans-114.711.3-173.4-82.4-78.7000113.5F50F50-H55 HydrophobicContact CB-CB 4.49Å; F50-H55 HydrophobicContact CD2-CB 3.58Å; F50-H55 HydrophobicContact CE2-CB 3.91Å; F50-H55 AromaticContact CE2-CG 3.95Å; F50-H55 HydrophobicContact CG-CB 4.13Å
56G82.4Confident88.2Confident7 Ų738.2 Ų38.27%0.07221%0.207CC..  trans77.5-167.8-175.300000112.7P52P52-G56 WeakPolarHBondContact CA-O 3.44Å; P52-G56 WeakPolarHBondContact O-CA 3.35Å
57E87.8Confident88.3Confident23 Ų2335.6 Ų35.611%0.10719%0.193CC..PPolyproline II helixtrans-64.5143.4-179.2-175.5-175.6-169.600113.2L69 D312 S316E57-L69 HydrophobicContact CB-CD1 4.46Å; E57-D312 PolarHBondContact N-O 3.32Å; E57-S316 WeakPolarHBondContact OE1-CB 3.44Å; E57-S316 WeakPolarHBondContact OE2-CA 3.31Å; E57-S316 WeakPolarHBondContact OE2-CB 3.27Å; E57-S316 PolarHBondContact OE2-N 3.44Å; E57-S316 PolarHBondContact OE2-OG 2.9Å
58V92.4Very high88.3Confident9 Ų936.5 Ų36.56%0.05520%0.197CC..PPolyproline II helixtrans-78.3123.8169.4-179.90000109.3A47 E66A47-V58 HydrophobicContact CB-CG1 4.36Å; A47-V58 VanDerWaalsContact O-CG2 3.23Å; A47-V58 WeakPolarHBondContact O-CG2 3.4Å; V58-E66 HydrophobicContact CG1-CB 3.83Å; V58-E66 HydrophobicContact CG1-CG 4.26Å
59F95.2Very high88.2Confident0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-91.7137.9174.5-167.9-98.4000110.4L61 V67 G72 E75 R477 F529F59-L61 HydrophobicContact CD1-CD2 3.87Å; F59-L61 HydrophobicContact CE1-CD2 3.72Å; F59-V67 HydrophobicContact CB-CG2 4.07Å; F59-V67 HydrophobicContact CD1-CG2 3.95Å; F59-V67 PolarHBondContact N-O 3.21Å; F59-V67 WeakPolarHBondContact O-CG2 3.38Å; F59-V67 PolarHBondContact O-N 2.97Å; F59-G72 VanDerWaalsContact CE2-CA 3.47Å; F59-G72 VanDerWaalsContact CZ-CA 3.43Å; F59-E75 HydrophobicContact CE1-CG 4.44Å; F59-R477 VanDerWaalsContact CE1-NH1 3.33Å; F59-F529 AromaticContact CD2-CD1 3.45Å; F59-F529 HydrophobicContact CD2-CD1 3.45Å; F59-F529 VanDerWaalsContact CD2-CD1 3.45Å; F59-F529 AromaticContact CD2-CE1 3.94Å; F59-F529 HydrophobicContact CD2-CE1 3.94Å; F59-F529 HydrophobicContact CD2-CG 4.28Å; F59-F529 HydrophobicContact CE2-CB 3.92Å; F59-F529 AromaticContact CE2-CD1 3.52Å; F59-F529 HydrophobicContact CE2-CD1 3.52Å; F59-F529 HydrophobicContact CE2-CE1 4.44Å; F59-F529 HydrophobicContact CE2-CG 4.07Å; F59-F529 HydrophobicContact CG-CD1 4.31Å; F59-F529 HydrophobicContact CZ-CB 4.1Å; F59-F529 HydrophobicContact CZ-CD1 4.42Å
60V96.7Very high88.2Confident0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-109.2136.4-178.3-176.30000109.5G65 L450 R477 R479 F529V60-G65 WeakPolarHBondContact CA-O 3.39Å; V60-L450 HydrophobicContact CG1-CD1 4.08Å; V60-R477 HydrophobicContact CG1-CB 4.33Å; V60-R477 WeakPolarHBondContact O-CD 3.46Å; V60-R477 PolarHBondContact O-NE 3.02Å; V60-R477 PolarHBondContact O-NH1 2.79Å; V60-R479 HydrophobicContact CG2-CB 3.89Å; V60-R479 HydrophobicContact CG2-CG 4.18Å; V60-F529 HydrophobicContact CB-CD2 3.87Å; V60-F529 HydrophobicContact CB-CE2 3.64Å; V60-F529 HydrophobicContact CB-CZ 4.36Å; V60-F529 HydrophobicContact CG2-CD2 4.29Å; V60-F529 HydrophobicContact CG2-CE2 3.54Å; V60-F529 HydrophobicContact CG2-CZ 3.98Å
61L96.9Very high88.6Confident0 Ų032.9 Ų32.90%017%0.172CC..  trans-100.8168.1177.2-61178.6000112.4F59 D63 G64 G65 V67 L71 E75 L82 T83F59-L61 HydrophobicContact CD1-CD2 3.87Å; F59-L61 HydrophobicContact CE1-CD2 3.72Å; L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 WeakPolarHBondContact CB-OD1 3.31Å; L61-D63 PolarHBondContact O-N 3.02Å; L61-G64 PolarHBondContact O-N 3.31Å; L61-G64 VanDerWaalsContact O-N 3.12Å; L61-G65 PolarHBondContact N-O 2.91Å; L61-V67 HydrophobicContact CD1-CB 4.49Å; L61-V67 HydrophobicContact CD1-CG1 3.75Å; L61-V67 HydrophobicContact CD1-CG2 3.93Å; L61-V67 HydrophobicContact CD2-CG2 4.14Å; L61-V67 HydrophobicContact CG-CG1 4.34Å; L61-V67 HydrophobicContact CG-CG2 3.79Å; L61-L71 HydrophobicContact CD1-CD2 4.08Å; L61-E75 WeakPolarHBondContact CD2-OE1 3.35Å; L61-L82 HydrophobicContact CD1-CB 4.39Å; L61-L82 HydrophobicContact CD2-CB 4.14Å; L61-T83 VanDerWaalsContact CD1-O 3.26Å; L61-T83 WeakPolarHBondContact CD1-O 3.25Å
62D96.1Very high89.2Confident36 Ų3630.7 Ų30.719%0.19316%0.157CC..THydrogen-bonded Turntrans-59.7-37.2-177.8-7911000112.2G64 R81 K452 R477D62-G64 PolarHBondContact O-N 3.42Å; D62-R81 WeakPolarHBondContact OD2-CD 3.46Å; D62-R81 IonicContact OD2-NH1 3.74Å; D62-R81 PolarHBondContact OD2-NH1 2.88Å; D62-K452 HydrophobicContact CB-CB 4.07Å; D62-K452 HydrophobicContact CB-CD 4.34Å; D62-K452 WeakPolarHBondContact O-CB 3.34Å; D62-K452 PolarHBondContact O-N 3.27Å; D62-R477 IonicContact OD1-CZ 2.9Å; D62-R477 IonicContact OD1-NE 3.43Å; D62-R477 PolarHBondContact OD1-NE 2.91Å; D62-R477 IonicContact OD1-NH2 3.91Å; D62-R477 PolarHBondContact OD1-NH2 2.83Å
63D95.1Very high89.8Confident66 Ų6630.5 Ų30.535%0.35315%0.154SC..THydrogen-bonded Turntrans-839.6-179.371.5-18.4000114.2L61 G65 T83 K84L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 WeakPolarHBondContact CB-OD1 3.31Å; L61-D63 PolarHBondContact O-N 3.02Å; D63-G65 VanDerWaalsContact C-N 3.34Å; D63-G65 PolarHBondContact OD1-N 2.95Å; D63-T83 WeakPolarHBondContact OD2-CB 3.48Å; D63-K84 PolarHBondContact OD1-N 2.92Å; D63-K84 WeakPolarHBondContact OD2-CB 3.47Å; D63-K84 VanDerWaalsContact OD2-CG 3.24Å; D63-K84 WeakPolarHBondContact OD2-CG 3.44Å; D63-K84 PolarHBondContact OD2-N 2.72Å
64G94.5Very high90.8Very high15 Ų1526.6 Ų26.616%0.15514%0.139CC..  trans78.114.4-17700000114.2L61 D62 E66 L450L61-G64 PolarHBondContact O-N 3.31Å; L61-G64 VanDerWaalsContact O-N 3.12Å; D62-G64 PolarHBondContact O-N 3.42Å; G64-E66 PolarHBondContact O-N 3.38Å; G64-L450 WeakPolarHBondContact O-CD2 3.2Å; G64-L450 WeakPolarHBondContact O-CG 3.41Å
65G94.6Very high91.9Very high4 Ų419.6 Ų19.64%0.04111%0.106CC..  trans-63.3127.3170.300000112.6V60 L61 D63V60-G65 WeakPolarHBondContact CA-O 3.39Å; L61-G65 PolarHBondContact N-O 2.91Å; D63-G65 VanDerWaalsContact C-N 3.34Å; D63-G65 PolarHBondContact OD1-N 2.95Å
66E95.1Very high92.9Very high36 Ų3615.4 Ų15.417%0.1689%0.086CC..EExtended strand (participates in β ladder)trans-94.7109.3167.9-64.8-17997.800109.2D46 A47 G48 V58 G64 L450 R479D46-E66 WeakPolarHBondContact CB-O 3.48Å; A47-E66 PolarHBondContact N-O 3.36Å; A47-E66 VanDerWaalsContact N-O 3.08Å; G48-E66 WeakPolarHBondContact CA-OE1 3.29Å; V58-E66 HydrophobicContact CG1-CB 3.83Å; V58-E66 HydrophobicContact CG1-CG 4.26Å; G64-E66 PolarHBondContact O-N 3.38Å; E66-L450 HydrophobicContact CG-CD1 4.07Å; E66-L450 HydrophobicContact CG-CD2 4.08Å; E66-R479 IonicContact OE1-CZ 2.87Å; E66-R479 IonicContact OE1-NE 2.63Å; E66-R479 PolarHBondContact OE1-NE 2.71Å; E66-R479 IonicContact OE1-NH2 3.85Å; E66-R479 PolarHBondContact OE1-NH2 2.85Å
67V94.3Very high93.4Very high2 Ų215.3 Ų15.31%0.0128%0.084CC..EExtended strand (participates in β ladder)trans-129.8165.8-167.7-61.50000111.9A47 F59 L61 L71 N87A47-V67 VanDerWaalsContact CB-C 3.48Å; F59-V67 HydrophobicContact CB-CG2 4.07Å; F59-V67 HydrophobicContact CD1-CG2 3.95Å; F59-V67 PolarHBondContact N-O 3.21Å; F59-V67 WeakPolarHBondContact O-CG2 3.38Å; F59-V67 PolarHBondContact O-N 2.97Å; L61-V67 HydrophobicContact CD1-CB 4.49Å; L61-V67 HydrophobicContact CD1-CG1 3.75Å; L61-V67 HydrophobicContact CD1-CG2 3.93Å; L61-V67 HydrophobicContact CD2-CG2 4.14Å; L61-V67 HydrophobicContact CG-CG1 4.34Å; L61-V67 HydrophobicContact CG-CG2 3.79Å; V67-L71 HydrophobicContact CB-CB 4.49Å; V67-L71 HydrophobicContact CB-CD1 4.34Å; V67-L71 HydrophobicContact CB-CD2 3.96Å; V67-L71 HydrophobicContact CB-CG 4.49Å; V67-L71 HydrophobicContact CG1-CD2 4.1Å; V67-L71 HydrophobicContact CG2-CB 3.77Å; V67-L71 HydrophobicContact CG2-CD2 3.8Å; V67-L71 HydrophobicContact CG2-CG 4.22Å; V67-N87 HydrophobicContact CB-CB 4.15Å; V67-N87 HydrophobicContact CG1-CB 3.67Å
68D89.9Confident93.6Very high22 Ų2214.3 Ų14.312%0.1188%0.079CC..  trans-57.4143.8173.3-169.8-59.7000111D70 L71D68-D70 PolarHBondContact O-N 3.03Å; D68-D70 VanDerWaalsContact O-N 3.13Å; D68-D70 PolarHBondContact OD1-N 3.31Å; D68-L71 PolarHBondContact O-N 3Å
69L87.4Confident93.6Very high24 Ų2418.7 Ų18.713%0.12610%0.102CC..Hα-helixtrans-51.6-31.4176.8-179.564000113.5E57 L71 G72 A315 S316E57-L69 HydrophobicContact CB-CD1 4.46Å; L69-L71 PolarHBondContact O-N 2.95Å; L69-G72 WeakPolarHBondContact O-CA 3.46Å; L69-G72 PolarHBondContact O-N 3.49Å; L69-A315 HydrophobicContact CD1-CB 4.13Å; L69-A315 HydrophobicContact CD2-CB 3.45Å; L69-A315 VanDerWaalsContact CD2-CB 3.45Å; L69-A315 HydrophobicContact CG-CB 4.38Å; L69-S316 WeakPolarHBondContact CD1-OG 3.42Å
70D88.1Confident93.6Very high46 Ų4618.8 Ų18.825%0.24610%0.103CC..Hα-helixtrans-58.5-30.4178.1-82.7-26.7000112.3K38 D68 G72 N73 Y74K38-D70 HydrophobicContact CD-CB 4.47Å; K38-D70 WeakPolarHBondContact CE-OD2 3.49Å; D68-D70 PolarHBondContact O-N 3.03Å; D68-D70 VanDerWaalsContact O-N 3.13Å; D68-D70 PolarHBondContact OD1-N 3.31Å; D70-G72 PolarHBondContact O-N 2.97Å; D70-N73 WeakPolarHBondContact O-CB 3.33Å; D70-N73 PolarHBondContact O-N 2.69Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-Y74 WeakPolarHBondContact O-CD2 3.39Å; D70-Y74 WeakPolarHBondContact O-CE2 3.07Å
71L93.6Very high93.5Very high1 Ų123.1 Ų23.11%0.00512%0.119CC..Hα-helixtrans-61.4-34.9173-88.279.9000112.5K38 L61 V67 D68 L69 N73 Y74 E75 L82 N87K38-L71 HydrophobicContact CB-CD1 3.45Å; K38-L71 VanDerWaalsContact CB-CD1 3.45Å; K38-L71 HydrophobicContact CB-CG 4.34Å; K38-L71 HydrophobicContact CG-CD1 3.78Å; L61-L71 HydrophobicContact CD1-CD2 4.08Å; V67-L71 HydrophobicContact CB-CB 4.49Å; V67-L71 HydrophobicContact CB-CD1 4.34Å; V67-L71 HydrophobicContact CB-CD2 3.96Å; V67-L71 HydrophobicContact CB-CG 4.49Å; V67-L71 HydrophobicContact CG1-CD2 4.1Å; V67-L71 HydrophobicContact CG2-CB 3.77Å; V67-L71 HydrophobicContact CG2-CD2 3.8Å; V67-L71 HydrophobicContact CG2-CG 4.22Å; D68-L71 PolarHBondContact O-N 3Å; L69-L71 PolarHBondContact O-N 2.95Å; L71-N73 PolarHBondContact O-N 2.94Å; L71-Y74 PolarHBondContact O-N 3.05Å; L71-E75 PolarHBondContact O-N 3.5Å; L71-E75 VanDerWaalsContact O-N 3.14Å; L71-L82 HydrophobicContact CB-CD1 4.32Å; L71-L82 HydrophobicContact CD2-CD1 4.07Å; L71-L82 HydrophobicContact CG-CD1 4.08Å; L71-N87 HydrophobicContact CD1-CB 4.1Å; L71-N87 WeakPolarHBondContact CD1-ND2 3.25Å; L71-N87 HydrophobicContact CD2-CB 3.84Å
72G93.1Very high93.5Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-64-28.5175.500000112.9F59 L69 D70 R76F59-G72 VanDerWaalsContact CE2-CA 3.47Å; F59-G72 VanDerWaalsContact CZ-CA 3.43Å; L69-G72 WeakPolarHBondContact O-CA 3.46Å; L69-G72 PolarHBondContact O-N 3.49Å; D70-G72 PolarHBondContact O-N 2.97Å; G72-R76 WeakPolarHBondContact O-CB 3.31Å; G72-R76 WeakPolarHBondContact O-CD 3.33Å; G72-R76 WeakPolarHBondContact O-CG 3.41Å; G72-R76 PolarHBondContact O-N 3.17Å; G72-R76 VanDerWaalsContact O-N 3.07Å
73N92.4Very high93.5Very high23 Ų2323.5 Ų23.512%0.12312%0.122CC..Hα-helixtrans-66.5-42.8174-67.2-36.7000111.1D70 L71 R76 F77D70-N73 WeakPolarHBondContact O-CB 3.33Å; D70-N73 PolarHBondContact O-N 2.69Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; L71-N73 PolarHBondContact O-N 2.94Å; N73-R76 PolarHBondContact O-N 3.44Å; N73-F77 VanDerWaalsContact O-CB 3.31Å; N73-F77 WeakPolarHBondContact O-CB 3.33Å; N73-F77 VanDerWaalsContact O-CD2 3.27Å; N73-F77 WeakPolarHBondContact O-CD2 3.47Å; N73-F77 PolarHBondContact O-N 2.99Å
74Y95.4Very high93.5Very high0 Ų025.2 Ų25.20%013%0.127CC..Hα-helixtrans-63.6-47.9177.7-64.2-75.6000112.1A20 S36 D70 L71 R76 F77 L78 E146A20-Y74 HydrophobicContact CB-CE1 3.79Å; A20-Y74 WeakPolarHBondContact CB-OH 3.45Å; S36-Y74 WeakPolarHBondContact OG-CD1 3.37Å; S36-Y74 WeakPolarHBondContact OG-CE1 3.44Å; S36-Y74 VanDerWaalsContact OG-CG 3.31Å; D70-Y74 WeakPolarHBondContact O-CD2 3.39Å; D70-Y74 WeakPolarHBondContact O-CE2 3.07Å; L71-Y74 PolarHBondContact O-N 3.05Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 2.79Å; Y74-F77 PolarHBondContact O-N 3.33Å; Y74-L78 HydrophobicContact CD1-CD1 4.26Å; Y74-L78 WeakPolarHBondContact O-CB 3.46Å; Y74-L78 WeakPolarHBondContact O-CD1 3.12Å; Y74-L78 PolarHBondContact O-N 3.48Å; Y74-E146 WeakPolarHBondContact OH-CB 3.34Å; Y74-E146 PolarHBondContact OH-OE2 3.26Å
75E95.9Very high93.6Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-59.2-40.7177.1-74.7-152.2161.700112F59 L61 L71 D79 I80 R81 L82 R477 R532F59-E75 HydrophobicContact CE1-CG 4.44Å; L61-E75 WeakPolarHBondContact CD2-OE1 3.35Å; L71-E75 PolarHBondContact O-N 3.5Å; L71-E75 VanDerWaalsContact O-N 3.14Å; E75-D79 VanDerWaalsContact O-CA 3.28Å; E75-D79 WeakPolarHBondContact O-CA 3.23Å; E75-D79 PolarHBondContact O-N 3.37Å; E75-I80 WeakPolarHBondContact CG-O 3.27Å; E75-R81 WeakPolarHBondContact OE1-CA 3.37Å; E75-L82 HydrophobicContact CG-CB 4.41Å; E75-L82 HydrophobicContact CG-CD1 4.27Å; E75-L82 HydrophobicContact CG-CG 4.12Å; E75-L82 PolarHBondContact OE1-N 2.76Å; E75-R477 IonicContact OE1-CZ 3.88Å; E75-R477 IonicContact OE1-NH1 3.1Å; E75-R477 IonicContact OE1-NH2 2.8Å; E75-R477 PolarHBondContact OE1-NH2 3.04Å; E75-R477 IonicContact OE2-CZ 3.99Å; E75-R477 VanDerWaalsContact OE2-CZ 3.27Å; E75-R477 IonicContact OE2-NH1 3.78Å; E75-R477 PolarHBondContact OE2-NH1 3.3Å; E75-R477 IonicContact OE2-NH2 2.55Å; E75-R477 PolarHBondContact OE2-NH2 3.12Å; E75-R532 WeakPolarHBondContact O-CD 3.45Å; E75-R532 PolarHBondContact O-NE 3.02Å; E75-R532 IonicContact OE2-NH2 3.69Å; E75-R532 PolarHBondContact OE2-NH2 3.46Å
76R94.3Very high93.8Very high9 Ų926.5 Ų26.53%0.03413%0.129CC..Hα-helixtrans-68.1-42.4179.1-73.9172.4-170.3120.32.5113.8G72 N73 Y74 S316 E528 S531 P533G72-R76 WeakPolarHBondContact O-CB 3.31Å; G72-R76 WeakPolarHBondContact O-CD 3.33Å; G72-R76 WeakPolarHBondContact O-CG 3.41Å; G72-R76 PolarHBondContact O-N 3.17Å; G72-R76 VanDerWaalsContact O-N 3.07Å; N73-R76 PolarHBondContact O-N 3.44Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 2.79Å; R76-S316 PolarHBondContact NH2-OG 3.45Å; R76-E528 PolarHBondContact NH2-O 2.92Å; R76-S531 WeakPolarHBondContact CG-O 3.48Å; R76-P533 VanDerWaalsContact O-CD 3.26Å; R76-P533 WeakPolarHBondContact O-CD 3.34Å
77F93.4Very high93.9Very high6 Ų624.8 Ų24.83%0.02612%0.121CC..Hα-helixtrans-83.2-37.1-172.9-88.5-119.3000112.8I18 T25 N73 Y74 I250 P254 W285I18-F77 HydrophobicContact CD1-CZ 4.33Å; T25-F77 PolarHBondContact OG1-O 3.01Å; N73-F77 VanDerWaalsContact O-CB 3.31Å; N73-F77 WeakPolarHBondContact O-CB 3.33Å; N73-F77 VanDerWaalsContact O-CD2 3.27Å; N73-F77 WeakPolarHBondContact O-CD2 3.47Å; N73-F77 PolarHBondContact O-N 2.99Å; Y74-F77 PolarHBondContact O-N 3.33Å; F77-I250 HydrophobicContact CE2-CD1 3.9Å; F77-I250 HydrophobicContact CZ-CB 4.21Å; F77-I250 HydrophobicContact CZ-CD1 3.79Å; F77-I250 HydrophobicContact CZ-CG1 3.96Å; F77-P254 HydrophobicContact CE1-CG 4.49Å; F77-W285 HydrophobicContact CB-CH2 4.2Å; F77-W285 HydrophobicContact CB-CZ2 4.46Å; F77-W285 AromaticContact CD1-CH2 3.29Å; F77-W285 HydrophobicContact CD1-CH2 3.29Å; F77-W285 HydrophobicContact CD1-CZ2 4.2Å; F77-W285 AromaticContact CD1-CZ3 3.82Å; F77-W285 HydrophobicContact CD1-CZ3 3.82Å; F77-W285 HydrophobicContact CD2-CH2 4.22Å; F77-W285 AromaticContact CE1-CH2 3.55Å; F77-W285 HydrophobicContact CE1-CH2 3.55Å; F77-W285 AromaticContact CE1-CZ3 3.62Å; F77-W285 HydrophobicContact CE1-CZ3 3.62Å; F77-W285 HydrophobicContact CE2-CH2 4.43Å; F77-W285 AromaticContact CG-CH2 3.65Å; F77-W285 HydrophobicContact CG-CH2 3.65Å; F77-W285 HydrophobicContact CG-CZ2 4.38Å; F77-W285 HydrophobicContact CZ-CH2 4.12Å; F77-W285 HydrophobicContact CZ-CZ3 4.21Å; F77-W285 WeakPolarHBondContact O-CZ2 3.46Å
78L92.2Very high94Very high1 Ų124.7 Ų24.71%0.00512%0.121CC..Hα-helixtrans-94.9-15.1-177.6-72.277000111.9K28 V34 Y74 I80K28-L78 HydrophobicContact CD-CB 4.44Å; K28-L78 WeakPolarHBondContact CD-O 3.31Å; K28-L78 WeakPolarHBondContact CE-O 3.38Å; K28-L78 PolarHBondContact NZ-O 3.35Å; V34-L78 HydrophobicContact CB-CD2 4.01Å; V34-L78 HydrophobicContact CG1-CD2 3.69Å; Y74-L78 HydrophobicContact CD1-CD1 4.26Å; Y74-L78 WeakPolarHBondContact O-CB 3.46Å; Y74-L78 WeakPolarHBondContact O-CD1 3.12Å; Y74-L78 PolarHBondContact O-N 3.48Å; L78-I80 HydrophobicContact CB-CB 4.47Å; L78-I80 HydrophobicContact CB-CD1 4.09Å; L78-I80 HydrophobicContact CB-CG1 3.99Å; L78-I80 HydrophobicContact CB-CG2 3.87Å; L78-I80 HydrophobicContact CD2-CD1 4.03Å
79D91.9Very high94.4Very high102 Ų10223.7 Ų23.755%0.54512%0.115SC..THydrogen-bonded Turntrans54.356.6-171-16030.3000111K28 E75 R532K28-D79 PolarHBondContact NZ-O 3.19Å; E75-D79 VanDerWaalsContact O-CA 3.28Å; E75-D79 WeakPolarHBondContact O-CA 3.23Å; E75-D79 PolarHBondContact O-N 3.37Å; D79-R532 IonicContact OD1-NE 3.53Å; D79-R532 PolarHBondContact OD1-NE 3.44Å
80I94.1Very high94.9Very high2 Ų223.1 Ų23.11%0.0111%0.113CC..  trans-122.8167.8177.461.6177.2000109.4E75 L78 L82 V133 R532E75-I80 WeakPolarHBondContact CG-O 3.27Å; L78-I80 HydrophobicContact CB-CB 4.47Å; L78-I80 HydrophobicContact CB-CD1 4.09Å; L78-I80 HydrophobicContact CB-CG1 3.99Å; L78-I80 HydrophobicContact CB-CG2 3.87Å; L78-I80 HydrophobicContact CD2-CD1 4.03Å; I80-L82 HydrophobicContact CD1-CD2 3.63Å; I80-L82 HydrophobicContact CD1-CG 4.05Å; I80-L82 HydrophobicContact CG1-CD2 4.33Å; I80-L82 HydrophobicContact CG1-CG 4.32Å; I80-V133 HydrophobicContact CB-CB 4.3Å; I80-V133 HydrophobicContact CB-CG2 4.05Å; I80-V133 HydrophobicContact CD1-CG2 4.24Å; I80-V133 HydrophobicContact CG2-CG2 4.03Å; I80-R532 PolarHBondContact O-NH2 3.37Å
81R94.8Very high95.3Very high91 Ų9121.3 Ų21.334%0.34311%0.105SC..  trans-120.8111.4173.9-63.5177.9-175.3-163.515.3109.5D62 E75 V133 E135D62-R81 WeakPolarHBondContact OD2-CD 3.46Å; D62-R81 IonicContact OD2-NH1 3.74Å; D62-R81 PolarHBondContact OD2-NH1 2.88Å; E75-R81 WeakPolarHBondContact OE1-CA 3.37Å; R81-V133 PolarHBondContact N-O 3.39Å; R81-V133 WeakPolarHBondContact O-CB 3.48Å; R81-E135 IonicContact CZ-OE1 3.64Å; R81-E135 IonicContact NE-OE1 3.66Å; R81-E135 IonicContact NH2-OE1 3.35Å; R81-E135 PolarHBondContact NH2-OE1 2.94Å
82L96.6Very high95.5Very high3 Ų322.7 Ų22.72%0.01611%0.111CC..  trans-88.9159.7-179-64.4176.6000110.4L61 L71 E75 I80 N86 V133L61-L82 HydrophobicContact CD1-CB 4.39Å; L61-L82 HydrophobicContact CD2-CB 4.14Å; L71-L82 HydrophobicContact CB-CD1 4.32Å; L71-L82 HydrophobicContact CD2-CD1 4.07Å; L71-L82 HydrophobicContact CG-CD1 4.08Å; E75-L82 HydrophobicContact CG-CB 4.41Å; E75-L82 HydrophobicContact CG-CD1 4.27Å; E75-L82 HydrophobicContact CG-CG 4.12Å; E75-L82 PolarHBondContact OE1-N 2.76Å; I80-L82 HydrophobicContact CD1-CD2 3.63Å; I80-L82 HydrophobicContact CD1-CG 4.05Å; I80-L82 HydrophobicContact CG1-CD2 4.33Å; I80-L82 HydrophobicContact CG1-CG 4.32Å; L82-N86 HydrophobicContact CB-CB 4.18Å; L82-N86 HydrophobicContact CD2-CB 4.1Å; L82-V133 HydrophobicContact CD2-CG1 4.12Å
83T96.4Very high95.7Very high40 Ų4022.8 Ų22.825%0.24511%0.111CC..  trans-109.9164173.871.30000110.3L61 D63 D85 N86L61-T83 VanDerWaalsContact CD1-O 3.26Å; L61-T83 WeakPolarHBondContact CD1-O 3.25Å; D63-T83 WeakPolarHBondContact OD2-CB 3.48Å; T83-D85 PolarHBondContact O-N 2.97Å; T83-N86 PolarHBondContact N-OD1 3.13Å; T83-N86 VanDerWaalsContact O-CB 3.31Å; T83-N86 WeakPolarHBondContact O-CB 3.35Å; T83-N86 PolarHBondContact O-N 3.28Å; T83-N86 PolarHBondContact O-OD1 2.87Å; T83-N86 PolarHBondContact OG1-OD1 3.41Å
84K95.9Very high96Very high102 Ų10226 Ų2644%0.44312%0.123SC..G310 helixtrans-57.5-20.6178.273.8-166.4170-171.40114.2D63 K92D63-K84 PolarHBondContact OD1-N 2.92Å; D63-K84 WeakPolarHBondContact OD2-CB 3.47Å; D63-K84 VanDerWaalsContact OD2-CG 3.24Å; D63-K84 WeakPolarHBondContact OD2-CG 3.44Å; D63-K84 PolarHBondContact OD2-N 2.72Å; K84-K92 PolarHBondContact O-NZ 3.46Å
85D96.8Very high96.1Very high46 Ų4630.1 Ų30.125%0.24614%0.142CC..G310 helixtrans-85.5-11.5178.9-72-12.9000113T83 N87 W124 Q128T83-D85 PolarHBondContact O-N 2.97Å; D85-N87 PolarHBondContact O-N 3.09Å; D85-W124 HydrophobicContact CB-CZ2 3.96Å; D85-W124 PolarHBondContact O-NE1 3.26Å; D85-Q128 HydrophobicContact CB-CG 4.14Å; D85-Q128 VanDerWaalsContact CB-NE2 3.26Å; D85-Q128 PolarHBondContact OD2-NE2 3.37Å
86N97.7Very high96.2Very high1 Ų133.8 Ų33.81%0.00516%0.156CC..G310 helixtrans-72.7-15.5168.4-65.992.6000112.4S36 I37 K38 L82 T83S36-N86 PolarHBondContact O-ND2 3Å; I37-N86 WeakPolarHBondContact CA-O 3.31Å; K38-N86 PolarHBondContact N-O 2.84Å; L82-N86 HydrophobicContact CB-CB 4.18Å; L82-N86 HydrophobicContact CD2-CB 4.1Å; T83-N86 PolarHBondContact N-OD1 3.13Å; T83-N86 VanDerWaalsContact O-CB 3.31Å; T83-N86 WeakPolarHBondContact O-CB 3.35Å; T83-N86 PolarHBondContact O-N 3.28Å; T83-N86 PolarHBondContact O-OD1 2.87Å; T83-N86 PolarHBondContact OG1-OD1 3.41Å
87N97.1Very high96.3Very high0 Ų033.6 Ų33.60%016%0.156CC..EExtended strand (participates in β ladder)trans-97.1116.7168.3-178.2-90.9000109.6D40 V67 L71 D85 T89 K92D40-N87 PolarHBondContact OD2-ND2 3.07Å; V67-N87 HydrophobicContact CB-CB 4.15Å; V67-N87 HydrophobicContact CG1-CB 3.67Å; L71-N87 HydrophobicContact CD1-CB 4.1Å; L71-N87 WeakPolarHBondContact CD1-ND2 3.25Å; L71-N87 HydrophobicContact CD2-CB 3.84Å; D85-N87 PolarHBondContact O-N 3.09Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.43Å; N87-K92 PolarHBondContact O-NZ 2.96Å
88L97.3Very high96.5Very high0 Ų037.6 Ų37.60%018%0.177CC..EExtended strand (participates in β ladder)trans-113.1112.2-179.8-172.563.2000110.7K38 I39 D40 K92 I93 I121 W124K38-L88 PolarHBondContact O-N 3.28Å; I39-L88 CarbonylContact C-O 3.58Å; I39-L88 VanDerWaalsContact CA-O 3.29Å; I39-L88 WeakPolarHBondContact CA-O 3.25Å; I39-L88 HydrophobicContact CG1-CB 4.12Å; I39-L88 HydrophobicContact CG1-CD2 4.26Å; D40-L88 PolarHBondContact N-O 3.33Å; L88-K92 HydrophobicContact CD1-CD 4.49Å; L88-I93 HydrophobicContact CD1-CD1 3.6Å; L88-I93 HydrophobicContact CD1-CG1 3.53Å; L88-I93 HydrophobicContact CD2-CD1 4.19Å; L88-I93 HydrophobicContact CD2-CG1 4.12Å; L88-I93 HydrophobicContact CG-CD1 4.3Å; L88-I93 HydrophobicContact CG-CG1 3.93Å; L88-I121 HydrophobicContact CD2-CG2 4.26Å; L88-W124 HydrophobicContact CD1-CD2 3.72Å; L88-W124 HydrophobicContact CD1-CE3 4.34Å; L88-W124 HydrophobicContact CD1-CG 3.77Å; L88-W124 HydrophobicContact CD1-CZ2 4.4Å; L88-W124 HydrophobicContact CD2-CB 4.41Å; L88-W124 HydrophobicContact CD2-CG 4.32Å
89T97.6Very high96.8Very high0 Ų041.1 Ų41.10%020%0.196CC..EExtended strand (participates in β ladder)trans-104.1161.3177.680.10000112.1D40 Y42 N44 I45 N87 G91 K92 I93D40-T89 HydrophobicContact CB-CG2 4.16Å; D40-T89 VanDerWaalsContact O-CA 3.29Å; D40-T89 WeakPolarHBondContact O-CA 3.36Å; Y42-T89 HydrophobicContact CD2-CG2 4.35Å; Y42-T89 HydrophobicContact CE2-CG2 3.55Å; N44-T89 WeakPolarHBondContact O-CB 3.4Å; N44-T89 WeakPolarHBondContact O-CG2 3.38Å; N44-T89 PolarHBondContact O-OG1 3.42Å; I45-T89 WeakPolarHBondContact O-CG2 3.16Å; I45-T89 PolarHBondContact O-OG1 3.27Å; N87-T89 WeakPolarHBondContact OD1-CG2 3.43Å; T89-G91 VanDerWaalsContact C-N 3.29Å; T89-G91 PolarHBondContact O-N 3.38Å; T89-G91 PolarHBondContact OG1-N 2.93Å; T89-K92 PolarHBondContact O-N 3.35Å; T89-K92 WeakPolarHBondContact OG1-CB 3.39Å; T89-K92 PolarHBondContact OG1-N 3.24Å; T89-I93 PolarHBondContact O-N 2.95Å
90T97.5Very high97Very high13 Ų1338.4 Ų38.48%0.0818%0.179CC..Hα-helixtrans-56.9-45.4171.8-59.30000110.9D40 P41 Y42 K92 I93 Y94 F159D40-T90 PolarHBondContact O-N 3.39Å; P41-T90 VanDerWaalsContact C-OG1 3.27Å; P41-T90 PolarHBondContact O-OG1 3.47Å; Y42-T90 VanDerWaalsContact O-CB 3.31Å; Y42-T90 WeakPolarHBondContact O-CB 3.31Å; Y42-T90 PolarHBondContact O-N 3.17Å; T90-K92 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 3.45Å; T90-I93 PolarHBondContact O-N 3.24Å; T90-Y94 HydrophobicContact CG2-CD1 3.9Å; T90-Y94 HydrophobicContact CG2-CE1 3.69Å; T90-Y94 HydrophobicContact CG2-CE2 4.35Å; T90-Y94 HydrophobicContact CG2-CG 4.35Å; T90-Y94 WeakPolarHBondContact O-CB 3.42Å; T90-Y94 WeakPolarHBondContact O-CD1 3.32Å; T90-Y94 PolarHBondContact O-N 3.4Å; T90-F159 WeakPolarHBondContact OG1-CE2 3.46Å
91G97.3Very high97.2Very high8 Ų842.6 Ų42.68%0.08220%0.199CC..Hα-helixtrans-59.7-42177.500000113.5I43 T89 Y94 Q95I43-G91 WeakPolarHBondContact O-CA 3.38Å; I43-G91 PolarHBondContact O-N 3.06Å; T89-G91 VanDerWaalsContact C-N 3.29Å; T89-G91 PolarHBondContact O-N 3.38Å; T89-G91 PolarHBondContact OG1-N 2.93Å; G91-Y94 PolarHBondContact O-N 2.9Å; G91-Q95 WeakPolarHBondContact O-CB 3.38Å; G91-Q95 PolarHBondContact O-N 3.37Å
92K97.3Very high97.3Very high30 Ų3047.7 Ų47.713%0.1322%0.218CC..Hα-helixtrans-62.4-45.6180-169.2172.9-68.6172.60111.5I45 K84 N87 L88 T89 T90 Y96 W124I45-K92 WeakPolarHBondContact O-CE 3.32Å; K84-K92 PolarHBondContact O-NZ 3.46Å; N87-K92 PolarHBondContact O-NZ 2.96Å; L88-K92 HydrophobicContact CD1-CD 4.49Å; T89-K92 PolarHBondContact O-N 3.35Å; T89-K92 WeakPolarHBondContact OG1-CB 3.39Å; T89-K92 PolarHBondContact OG1-N 3.24Å; T90-K92 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 3.45Å; K92-Y96 VanDerWaalsContact O-CB 3.29Å; K92-Y96 WeakPolarHBondContact O-CB 3.39Å; K92-Y96 PolarHBondContact O-N 3.34Å; K92-W124 HydrophobicContact CD-CH2 3.95Å; K92-W124 HydrophobicContact CD-CZ2 3.78Å; K92-W124 HydrophobicContact CG-CH2 4.03Å; K92-W124 HydrophobicContact CG-CZ2 4.34Å
93I97.9Very high97.3Very high1 Ų155.5 Ų55.51%0.00525%0.252CS..Hα-helixtrans-67-43176.1-72.9-65000111.8L88 T89 T90 Y96 V97 I117 A120 I121 W124L88-I93 HydrophobicContact CD1-CD1 3.6Å; L88-I93 HydrophobicContact CD1-CG1 3.53Å; L88-I93 HydrophobicContact CD2-CD1 4.19Å; L88-I93 HydrophobicContact CD2-CG1 4.12Å; L88-I93 HydrophobicContact CG-CD1 4.3Å; L88-I93 HydrophobicContact CG-CG1 3.93Å; T89-I93 PolarHBondContact O-N 2.95Å; T90-I93 PolarHBondContact O-N 3.24Å; I93-Y96 WeakPolarHBondContact O-CB 3.3Å; I93-Y96 PolarHBondContact O-N 3.22Å; I93-V97 PolarHBondContact O-N 2.92Å; I93-I117 HydrophobicContact CG2-CD1 4.05Å; I93-I117 HydrophobicContact CG2-CG2 3.85Å; I93-A120 HydrophobicContact CD1-CB 4.47Å; I93-A120 HydrophobicContact CG2-CB 4.48Å; I93-I121 HydrophobicContact CD1-CG1 4.11Å; I93-I121 HydrophobicContact CG1-CG1 3.96Å; I93-I121 HydrophobicContact CG2-CG1 4.15Å; I93-W124 HydrophobicContact CD1-CB 4.41Å; I93-W124 HydrophobicContact CD1-CD2 4.44Å; I93-W124 HydrophobicContact CD1-CE3 4.1Å
94Y97.9Very high97.3Very high91 Ų9155.5 Ų55.536%0.35726%0.259SS..Hα-helixtrans-66.5-45.1-177.4-81.337.9000110.3T90 G91 Y96 V97 I98 I117T90-Y94 HydrophobicContact CG2-CD1 3.9Å; T90-Y94 HydrophobicContact CG2-CE1 3.69Å; T90-Y94 HydrophobicContact CG2-CE2 4.35Å; T90-Y94 HydrophobicContact CG2-CG 4.35Å; T90-Y94 WeakPolarHBondContact O-CB 3.42Å; T90-Y94 WeakPolarHBondContact O-CD1 3.32Å; T90-Y94 PolarHBondContact O-N 3.4Å; G91-Y94 PolarHBondContact O-N 2.9Å; Y94-Y96 VanDerWaalsContact C-N 3.31Å; Y94-Y96 PolarHBondContact O-N 3.21Å; Y94-V97 PolarHBondContact O-N 2.7Å; Y94-I98 WeakPolarHBondContact O-CB 3.32Å; Y94-I98 WeakPolarHBondContact O-CD1 3.33Å; Y94-I98 WeakPolarHBondContact O-CG1 3.49Å; Y94-I98 PolarHBondContact O-N 3.47Å; Y94-I117 HydrophobicContact CD1-CD1 3.85Å; Y94-I117 HydrophobicContact CE1-CD1 3.95Å; Y94-I117 HydrophobicContact CE1-CG1 4.45Å; Y94-I117 HydrophobicContact CE1-CG2 4.07Å; Y94-I117 HydrophobicContact CG-CD1 4.5Å
95Q97.8Very high97.3Very high86 Ų8654.7 Ų54.740%0.40226%0.26SS..Hα-helixtrans-59.5-42.5173.9-173.464.367.700111.6I45 G91 N99I45-Q95 HydrophobicContact CD1-CB 4.46Å; I45-Q95 HydrophobicContact CD1-CG 4.43Å; G91-Q95 WeakPolarHBondContact O-CB 3.38Å; G91-Q95 PolarHBondContact O-N 3.37Å; Q95-N99 PolarHBondContact NE2-ND2 3.13Å; Q95-N99 PolarHBondContact NE2-OD1 2.61Å; Q95-N99 VanDerWaalsContact O-CB 3.3Å; Q95-N99 WeakPolarHBondContact O-CB 3.48Å; Q95-N99 PolarHBondContact O-N 3.36Å; Q95-N99 PolarHBondContact O-ND2 3.38Å
96Y97.3Very high97.3Very high77 Ų7754.4 Ų54.430%0.30226%0.256SS..Hα-helixtrans-59.6-48.8176.4177.9-102.5000111.8K92 I93 Y94 N99 K100 A120 W124K92-Y96 VanDerWaalsContact O-CB 3.29Å; K92-Y96 WeakPolarHBondContact O-CB 3.39Å; K92-Y96 PolarHBondContact O-N 3.34Å; I93-Y96 WeakPolarHBondContact O-CB 3.3Å; I93-Y96 PolarHBondContact O-N 3.22Å; Y94-Y96 VanDerWaalsContact C-N 3.31Å; Y94-Y96 PolarHBondContact O-N 3.21Å; Y96-N99 PolarHBondContact O-N 3.48Å; Y96-K100 HydrophobicContact CD1-CD 4.23Å; Y96-K100 HydrophobicContact CE1-CD 3.57Å; Y96-K100 HydrophobicContact CE2-CD 4.28Å; Y96-K100 WeakPolarHBondContact O-CG 3.11Å; Y96-K100 PolarHBondContact O-N 2.89Å; Y96-K100 VanDerWaalsContact O-N 3.11Å; Y96-A120 HydrophobicContact CD1-CB 4.23Å; Y96-A120 HydrophobicContact CE1-CB 4.35Å; Y96-W124 HydrophobicContact CD2-CZ3 4.2Å; Y96-W124 HydrophobicContact CG-CZ3 4.32Å
97V98.1Very high97.2Very high6 Ų661.7 Ų61.74%0.03629%0.294CS..Hα-helixtrans-68.9-41.5-178.9169.50000112.1I93 Y94 N99 K100 E101 Y106 V111 I117 A120I93-V97 PolarHBondContact O-N 2.92Å; Y94-V97 PolarHBondContact O-N 2.7Å; V97-N99 VanDerWaalsContact C-N 3.33Å; V97-N99 PolarHBondContact O-N 3.04Å; V97-K100 PolarHBondContact O-N 3.48Å; V97-E101 PolarHBondContact O-N 3.46Å; V97-Y106 HydrophobicContact CG1-CE2 4.33Å; V97-V111 HydrophobicContact CG1-CG1 3.57Å; V97-I117 HydrophobicContact CB-CD1 3.92Å; V97-I117 HydrophobicContact CG1-CD1 4.02Å; V97-I117 HydrophobicContact CG2-CD1 3.85Å; V97-A120 HydrophobicContact CG2-CB 3.67Å
98I97.9Very high96.9Very high90 Ų9065.5 Ų65.546%0.46233%0.333SS..Hα-helixtrans-59.9-44.3174.7-69.8164.9000110.3Y94 K100 E101 R102Y94-I98 WeakPolarHBondContact O-CB 3.32Å; Y94-I98 WeakPolarHBondContact O-CD1 3.33Å; Y94-I98 WeakPolarHBondContact O-CG1 3.49Å; Y94-I98 PolarHBondContact O-N 3.47Å; I98-K100 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 3.21Å; I98-E101 PolarHBondContact O-N 3.32Å; I98-R102 WeakPolarHBondContact O-CG 3.29Å; I98-R102 PolarHBondContact O-N 3.16Å
99N97.6Very high96.7Very high75 Ų7572.9 Ų72.940%0.40137%0.365SS..Hα-helixtrans-63.1-38.1178.4-73.3-17000112.6Q95 Y96 V97 K103Q95-N99 PolarHBondContact NE2-ND2 3.13Å; Q95-N99 PolarHBondContact NE2-OD1 2.61Å; Q95-N99 VanDerWaalsContact O-CB 3.3Å; Q95-N99 WeakPolarHBondContact O-CB 3.48Å; Q95-N99 PolarHBondContact O-N 3.36Å; Q95-N99 PolarHBondContact O-ND2 3.38Å; Y96-N99 PolarHBondContact O-N 3.48Å; V97-N99 VanDerWaalsContact C-N 3.33Å; V97-N99 PolarHBondContact O-N 3.04Å; N99-K103 WeakPolarHBondContact O-CG 3.48Å; N99-K103 PolarHBondContact O-N 2.87Å
100K97.1Very high96.6Very high44 Ų4478.2 Ų78.219%0.19140%0.398CS..Hα-helixtrans-67.7-37.9174.8-72.1-172.272.8175.50112.4Y96 V97 I98 K103 G104 D105 Y106Y96-K100 HydrophobicContact CD1-CD 4.23Å; Y96-K100 HydrophobicContact CE1-CD 3.57Å; Y96-K100 HydrophobicContact CE2-CD 4.28Å; Y96-K100 WeakPolarHBondContact O-CG 3.11Å; Y96-K100 PolarHBondContact O-N 2.89Å; Y96-K100 VanDerWaalsContact O-N 3.11Å; V97-K100 PolarHBondContact O-N 3.48Å; I98-K100 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 3.21Å; K100-K103 PolarHBondContact O-N 3.3Å; K100-G104 PolarHBondContact O-N 2.91Å; K100-D105 HydrophobicContact CB-CB 4.07Å; K100-D105 WeakPolarHBondContact CB-OD2 3.46Å; K100-D105 WeakPolarHBondContact CE-OD2 3.42Å; K100-D105 VanDerWaalsContact CG-OD2 3.32Å; K100-D105 WeakPolarHBondContact CG-OD2 3.37Å; K100-D105 WeakPolarHBondContact O-CB 3.35Å; K100-D105 PolarHBondContact O-N 3.22Å; K100-D105 VanDerWaalsContact O-N 3.08Å; K100-Y106 HydrophobicContact CB-CE2 3.69Å
101E97.6Very high96.6Very high90 Ų9079.7 Ų79.742%0.42141%0.407SS..Hα-helixtrans-60.5-48.8175179.4-85.915900111.4V97 I98 K103 G104 Y106 V111V97-E101 PolarHBondContact O-N 3.46Å; I98-E101 PolarHBondContact O-N 3.32Å; E101-K103 VanDerWaalsContact C-N 3.26Å; E101-K103 PolarHBondContact O-N 2.91Å; E101-G104 PolarHBondContact O-N 2.82Å; E101-Y106 HydrophobicContact CB-CD2 4.03Å; E101-Y106 HydrophobicContact CB-CE2 4.16Å; E101-V111 HydrophobicContact CB-CG2 4.24Å; E101-V111 HydrophobicContact CG-CG2 4.08Å
102R96.7Very high96.6Very high199 Ų19985.1 Ų85.175%0.75143%0.43SS*.Hα-helixtrans-64.6-26.8177.9-62.3-62-70.1175.4-5114I98 G104I98-R102 WeakPolarHBondContact O-CG 3.29Å; I98-R102 PolarHBondContact O-N 3.16Å; R102-G104 VanDerWaalsContact C-N 3.31Å
103K96.6Very high96.6Very high167 Ų16786.9 Ų86.973%0.72644%0.443SS*.Hα-helixtrans-77.6-15.3174-73.9176.8-178.2-175.90113.5N99 K100 E101N99-K103 WeakPolarHBondContact O-CG 3.48Å; N99-K103 PolarHBondContact O-N 2.87Å; K100-K103 PolarHBondContact O-N 3.3Å; E101-K103 VanDerWaalsContact C-N 3.26Å; E101-K103 PolarHBondContact O-N 2.91Å
104G95.9Very high96.6Very high39 Ų3990 Ų9040%0.40246%0.462SS..THydrogen-bonded Turntrans87.914-177.700000114.6K100 E101 R102 Y106 L107K100-G104 PolarHBondContact O-N 2.91Å; E101-G104 PolarHBondContact O-N 2.82Å; R102-G104 VanDerWaalsContact C-N 3.31Å; G104-Y106 PolarHBondContact O-N 3.01Å; G104-Y106 VanDerWaalsContact O-N 3.11Å; G104-L107 PolarHBondContact O-N 3.49Å
105D96.5Very high96.5Very high86 Ų8688.4 Ų88.446%0.4646%0.463SS..THydrogen-bonded Turntrans-62.9-22.1-175.5-66.7-0.8000113K100K100-D105 HydrophobicContact CB-CB 4.07Å; K100-D105 WeakPolarHBondContact CB-OD2 3.46Å; K100-D105 WeakPolarHBondContact CE-OD2 3.42Å; K100-D105 VanDerWaalsContact CG-OD2 3.32Å; K100-D105 WeakPolarHBondContact CG-OD2 3.37Å; K100-D105 WeakPolarHBondContact O-CB 3.35Å; K100-D105 PolarHBondContact O-N 3.22Å; K100-D105 VanDerWaalsContact O-N 3.08Å
106Y96.1Very high96.6Very high40 Ų4086.1 Ų86.116%0.15745%0.452CS..THydrogen-bonded Turntrans-93.211.9177.7-56.6-69.2000113.8V97 K100 E101 G104 G108 K109 V111 H116V97-Y106 HydrophobicContact CG1-CE2 4.33Å; K100-Y106 HydrophobicContact CB-CE2 3.69Å; E101-Y106 HydrophobicContact CB-CD2 4.03Å; E101-Y106 HydrophobicContact CB-CE2 4.16Å; G104-Y106 PolarHBondContact O-N 3.01Å; G104-Y106 VanDerWaalsContact O-N 3.11Å; Y106-G108 PolarHBondContact O-N 2.87Å; Y106-K109 WeakPolarHBondContact O-CB 3.32Å; Y106-K109 PolarHBondContact O-N 2.87Å; Y106-V111 HydrophobicContact CD1-CG2 4.46Å; Y106-V111 HydrophobicContact CD2-CG2 3.34Å; Y106-V111 HydrophobicContact CE2-CG1 4.46Å; Y106-V111 HydrophobicContact CE2-CG2 3.8Å; Y106-V111 HydrophobicContact CG-CG2 3.72Å; Y106-H116 AromaticContact CD1-CD2 3.79Å; Y106-H116 AromaticContact CE1-CD2 3.85Å
107L95.2Very high96.6Very high154 Ų15483 Ų8381%0.80644%0.44SS*.THydrogen-bonded Turntrans54.636.1175.9-54.3176.9000113.7G104 K109G104-L107 PolarHBondContact O-N 3.49Å; L107-K109 PolarHBondContact O-N 2.98Å
108G90.8Very high96.6Very high80 Ų8082.7 Ų82.783%0.82544%0.439SS*.THydrogen-bonded Turntrans73.27.2-179.800000115.3Y106Y106-G108 PolarHBondContact O-N 2.87Å
109K94.4Very high96.6Very high154 Ų15480.7 Ų80.767%0.6743%0.429SS*.PPolyproline II helixtrans-74.1149.3173.4-64.2-178.8-180177.60111.2Y106 L107 V111Y106-K109 WeakPolarHBondContact O-CB 3.32Å; Y106-K109 PolarHBondContact O-N 2.87Å; L107-K109 PolarHBondContact O-N 2.98Å; K109-V111 PolarHBondContact O-N 2.85Å
110T95.9Very high96.7Very high113 Ų11377.3 Ų77.369%0.69341%0.411SS*.PPolyproline II helixtrans-64.5122.2174.4-51.50000111.1H116T110-H116 PolarHBondContact O-CE1 3.33Å
111V97Very high96.7Very high43 Ų4375.2 Ų75.226%0.26140%0.402SS..PPolyproline II helixtrans-83.2139.6175.3-176.40000109.9V97 E101 Y106 K109 H116V97-V111 HydrophobicContact CG1-CG1 3.57Å; E101-V111 HydrophobicContact CB-CG2 4.24Å; E101-V111 HydrophobicContact CG-CG2 4.08Å; Y106-V111 HydrophobicContact CD1-CG2 4.46Å; Y106-V111 HydrophobicContact CD2-CG2 3.34Å; Y106-V111 HydrophobicContact CE2-CG1 4.46Å; Y106-V111 HydrophobicContact CE2-CG2 3.8Å; Y106-V111 HydrophobicContact CG-CG2 3.72Å; K109-V111 PolarHBondContact O-N 2.85Å; V111-H116 HydrophobicContact CG1-CB 3.67Å
112Q97.5Very high96.8Very high123 Ų12371.1 Ų71.158%0.57538%0.383SS*.  trans-141164.4-177.3-62.8-174.823.600110.3V114 H116Q112-V114 VanDerWaalsContact C-N 3.33Å; Q112-V114 WeakPolarHBondContact CB-O 3.33Å; Q112-V114 PolarHBondContact O-N 2.66Å; Q112-H116 PolarHBondContact N-ND1 3.47Å; Q112-H116 VanDerWaalsContact O-CB 3.29Å; Q112-H116 WeakPolarHBondContact O-CB 3.37Å; Q112-H116 PolarHBondContact O-N 3.48Å; Q112-H116 PolarHBondContact O-ND1 2.85Å
113V97.4Very high96.8Very high67 Ų6766.3 Ų66.341%0.40637%0.369SS..Iπ-helixtrans-57.1-47.5175.6179.40000111I117 T118 P158V113-I117 HydrophobicContact CG1-CB 4.26Å; V113-I117 VanDerWaalsContact O-CB 3.3Å; V113-I117 WeakPolarHBondContact O-CB 3.49Å; V113-I117 PolarHBondContact O-N 2.83Å; V113-T118 PolarHBondContact O-N 3.32Å; V113-P158 HydrophobicContact CG1-CB 4.16Å; V113-P158 HydrophobicContact CG1-CG 4.36Å
114V97.3Very high96.9Very high66 Ų6659.2 Ų59.240%0.434%0.338SS..Iπ-helixtrans-109.2126.5172.9-175.70000108.9Q112 T118 E161Q112-V114 VanDerWaalsContact C-N 3.33Å; Q112-V114 WeakPolarHBondContact CB-O 3.33Å; Q112-V114 PolarHBondContact O-N 2.66Å; V114-T118 HydrophobicContact CG2-CG2 4.13Å; V114-E161 HydrophobicContact CG2-CG 3.97Å
115P96.8Very high97Very high57 Ų5757.4 Ų57.437%0.3732%0.319SS..Iπ-helixcis-91.9-90.437.7-36.8000114.2I117 T118 D119P115-I117 PolarHBondContact O-N 2.66Å; P115-T118 VanDerWaalsContact C-OG1 3.3Å; P115-T118 WeakPolarHBondContact CA-OG1 3.43Å; P115-T118 CarbonylContact O-C 3.57Å; P115-T118 PolarHBondContact O-N 2.92Å; P115-T118 PolarHBondContact O-OG1 2.88Å; P115-D119 WeakPolarHBondContact CB-OD2 3.43Å; P115-D119 VanDerWaalsContact O-CB 3.32Å; P115-D119 WeakPolarHBondContact O-CB 3.5Å; P115-D119 PolarHBondContact O-N 3.38Å
116H98Very high97Very high38 Ų3856.4 Ų56.418%0.17631%0.312CS..Iπ-helixtrans-66.1-41.5-161.8-47.782.3000114.6Y106 T110 V111 Q112 A120Y106-H116 AromaticContact CD1-CD2 3.79Å; Y106-H116 AromaticContact CE1-CD2 3.85Å; T110-H116 PolarHBondContact O-CE1 3.33Å; V111-H116 HydrophobicContact CG1-CB 3.67Å; Q112-H116 PolarHBondContact N-ND1 3.47Å; Q112-H116 VanDerWaalsContact O-CB 3.29Å; Q112-H116 WeakPolarHBondContact O-CB 3.37Å; Q112-H116 PolarHBondContact O-N 3.48Å; Q112-H116 PolarHBondContact O-ND1 2.85Å; H116-A120 WeakPolarHBondContact O-CB 3.41Å; H116-A120 PolarHBondContact O-N 3.4Å; H116-A120 VanDerWaalsContact O-N 3.12Å
117I98.3Very high97.1Very high12 Ų1259.2 Ų59.26%0.06232%0.323CS..Iπ-helixtrans-70.6-43.7174.4-63.8-73.3000109.6I93 Y94 V97 V113 P115 D119 A120 I121 P158I93-I117 HydrophobicContact CG2-CD1 4.05Å; I93-I117 HydrophobicContact CG2-CG2 3.85Å; Y94-I117 HydrophobicContact CD1-CD1 3.85Å; Y94-I117 HydrophobicContact CE1-CD1 3.95Å; Y94-I117 HydrophobicContact CE1-CG1 4.45Å; Y94-I117 HydrophobicContact CE1-CG2 4.07Å; Y94-I117 HydrophobicContact CG-CD1 4.5Å; V97-I117 HydrophobicContact CB-CD1 3.92Å; V97-I117 HydrophobicContact CG1-CD1 4.02Å; V97-I117 HydrophobicContact CG2-CD1 3.85Å; V113-I117 HydrophobicContact CG1-CB 4.26Å; V113-I117 VanDerWaalsContact O-CB 3.3Å; V113-I117 WeakPolarHBondContact O-CB 3.49Å; V113-I117 PolarHBondContact O-N 2.83Å; P115-I117 PolarHBondContact O-N 2.66Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-D119 PolarHBondContact O-N 3.34Å; I117-A120 PolarHBondContact O-N 3.43Å; I117-I121 HydrophobicContact CG2-CD1 3.9Å; I117-I121 WeakPolarHBondContact O-CG1 3.24Å; I117-I121 PolarHBondContact O-N 3.49Å; I117-P158 HydrophobicContact CG2-CB 4.33Å
118T98.4Very high97.2Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-64.5-36.5-179.752.60000112.9V113 V114 P115 Q122 E161 A162V113-T118 PolarHBondContact O-N 3.32Å; V114-T118 HydrophobicContact CG2-CG2 4.13Å; P115-T118 VanDerWaalsContact C-OG1 3.3Å; P115-T118 WeakPolarHBondContact CA-OG1 3.43Å; P115-T118 CarbonylContact O-C 3.57Å; P115-T118 PolarHBondContact O-N 2.92Å; P115-T118 PolarHBondContact O-OG1 2.88Å; T118-Q122 WeakPolarHBondContact O-CG 3.4Å; T118-Q122 PolarHBondContact O-N 2.93Å; T118-Q122 VanDerWaalsContact O-N 3.15Å; T118-Q122 PolarHBondContact O-NE2 3.12Å; T118-E161 HydrophobicContact CG2-CB 4.26Å; T118-E161 HydrophobicContact CG2-CG 3.95Å; T118-A162 HydrophobicContact CG2-CB 4.07Å
119D98.2Very high97.6Very high47 Ų4748.2 Ų48.225%0.25125%0.245SC..Hα-helixtrans-70.3-42.7175-80.5-29.2000110.5P115 I117 I121 Q122 E123 K169P115-D119 WeakPolarHBondContact CB-OD2 3.43Å; P115-D119 VanDerWaalsContact O-CB 3.32Å; P115-D119 WeakPolarHBondContact O-CB 3.5Å; P115-D119 PolarHBondContact O-N 3.38Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-D119 PolarHBondContact O-N 3.34Å; D119-I121 VanDerWaalsContact C-N 3.31Å; D119-I121 PolarHBondContact O-N 3Å; D119-Q122 PolarHBondContact O-N 3.35Å; D119-Q122 VanDerWaalsContact O-N 3.14Å; D119-E123 WeakPolarHBondContact O-CB 3.25Å; D119-E123 VanDerWaalsContact O-CG 3.32Å; D119-E123 WeakPolarHBondContact O-CG 3.37Å; D119-E123 PolarHBondContact O-N 3.09Å; D119-K169 IonicContact OD1-NZ 2.72Å; D119-K169 PolarHBondContact OD1-NZ 3.35Å
120A98.4Very high97.7Very high4 Ų448 Ų483%0.03324%0.24CC..Hα-helixtrans-59.3-40.3175.800000112.4I93 Y96 V97 H116 I117 W124I93-A120 HydrophobicContact CD1-CB 4.47Å; I93-A120 HydrophobicContact CG2-CB 4.48Å; Y96-A120 HydrophobicContact CD1-CB 4.23Å; Y96-A120 HydrophobicContact CE1-CB 4.35Å; V97-A120 HydrophobicContact CG2-CB 3.67Å; H116-A120 WeakPolarHBondContact O-CB 3.41Å; H116-A120 PolarHBondContact O-N 3.4Å; H116-A120 VanDerWaalsContact O-N 3.12Å; I117-A120 PolarHBondContact O-N 3.43Å; A120-W124 WeakPolarHBondContact O-CB 3.29Å; A120-W124 PolarHBondContact O-N 3.36Å
121I98.6Very high97.8Very high1 Ų145.6 Ų45.61%0.00522%0.223CC..Hα-helixtrans-62-48.5174.1-68.2161.2000110.6L88 I93 I117 D119 W124 V125 F159 A162L88-I121 HydrophobicContact CD2-CG2 4.26Å; I93-I121 HydrophobicContact CD1-CG1 4.11Å; I93-I121 HydrophobicContact CG1-CG1 3.96Å; I93-I121 HydrophobicContact CG2-CG1 4.15Å; I117-I121 HydrophobicContact CG2-CD1 3.9Å; I117-I121 WeakPolarHBondContact O-CG1 3.24Å; I117-I121 PolarHBondContact O-N 3.49Å; D119-I121 VanDerWaalsContact C-N 3.31Å; D119-I121 PolarHBondContact O-N 3Å; I121-W124 WeakPolarHBondContact O-CB 3.46Å; I121-W124 PolarHBondContact O-N 3.45Å; I121-V125 WeakPolarHBondContact O-CG2 3.4Å; I121-V125 PolarHBondContact O-N 2.88Å; I121-F159 HydrophobicContact CD1-CD1 3.6Å; I121-F159 HydrophobicContact CD1-CE1 3.83Å; I121-F159 HydrophobicContact CD1-CG 4.4Å; I121-F159 HydrophobicContact CG1-CD1 4.16Å; I121-F159 HydrophobicContact CG1-CE1 4.12Å; I121-F159 HydrophobicContact CG2-CD1 4.23Å; I121-A162 HydrophobicContact CB-CB 3.94Å; I121-A162 HydrophobicContact CD1-CB 4.01Å; I121-A162 HydrophobicContact CG2-CB 3.79Å
122Q98.3Very high97.8Very high3 Ų346.1 Ų46.11%0.01423%0.227CC..Hα-helixtrans-63-45.2-179.2-68.8168.358.500111.7T118 D119 W124 V125 M126 A162 Q165 F166T118-Q122 WeakPolarHBondContact O-CG 3.4Å; T118-Q122 PolarHBondContact O-N 2.93Å; T118-Q122 VanDerWaalsContact O-N 3.15Å; T118-Q122 PolarHBondContact O-NE2 3.12Å; D119-Q122 PolarHBondContact O-N 3.35Å; D119-Q122 VanDerWaalsContact O-N 3.14Å; Q122-W124 VanDerWaalsContact C-N 3.3Å; Q122-W124 PolarHBondContact O-N 2.97Å; Q122-V125 PolarHBondContact O-N 3.07Å; Q122-M126 VanDerWaalsContact O-CG 3.3Å; Q122-M126 WeakPolarHBondContact O-CG 3.39Å; Q122-M126 PolarHBondContact O-N 2.99Å; Q122-A162 HydrophobicContact CG-CB 4.44Å; Q122-A162 PolarHBondContact NE2-O 2.9Å; Q122-Q165 VanDerWaalsContact NE2-OE1 3.08Å; Q122-F166 HydrophobicContact CB-CD2 4.05Å; Q122-F166 HydrophobicContact CG-CB 4.15Å; Q122-F166 HydrophobicContact CG-CD2 3.84Å; Q122-F166 HydrophobicContact CG-CG 4.45Å
123E97.8Very high97.7Very high99 Ų9940.7 Ų40.746%0.46320%0.202SC..Hα-helixtrans-60.6-39.5175.7-73.3174.5-173.500111.8D119 R127D119-E123 WeakPolarHBondContact O-CB 3.25Å; D119-E123 VanDerWaalsContact O-CG 3.32Å; D119-E123 WeakPolarHBondContact O-CG 3.37Å; D119-E123 PolarHBondContact O-N 3.09Å; E123-R127 WeakPolarHBondContact O-CB 3.4Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 VanDerWaalsContact O-N 3.12Å
124W98.3Very high97.5Very high18 Ų1838.7 Ų38.77%0.06819%0.189CC..Hα-helixtrans-62-52.4175.9-161.9-73.3000111.5D85 L88 K92 I93 Y96 A120 I121 Q122 M126 R127 Q128D85-W124 HydrophobicContact CB-CZ2 3.96Å; D85-W124 PolarHBondContact O-NE1 3.26Å; L88-W124 HydrophobicContact CD1-CD2 3.72Å; L88-W124 HydrophobicContact CD1-CE3 4.34Å; L88-W124 HydrophobicContact CD1-CG 3.77Å; L88-W124 HydrophobicContact CD1-CZ2 4.4Å; L88-W124 HydrophobicContact CD2-CB 4.41Å; L88-W124 HydrophobicContact CD2-CG 4.32Å; K92-W124 HydrophobicContact CD-CH2 3.95Å; K92-W124 HydrophobicContact CD-CZ2 3.78Å; K92-W124 HydrophobicContact CG-CH2 4.03Å; K92-W124 HydrophobicContact CG-CZ2 4.34Å; I93-W124 HydrophobicContact CD1-CB 4.41Å; I93-W124 HydrophobicContact CD1-CD2 4.44Å; I93-W124 HydrophobicContact CD1-CE3 4.1Å; Y96-W124 HydrophobicContact CD2-CZ3 4.2Å; Y96-W124 HydrophobicContact CG-CZ3 4.32Å; A120-W124 WeakPolarHBondContact O-CB 3.29Å; A120-W124 PolarHBondContact O-N 3.36Å; I121-W124 WeakPolarHBondContact O-CB 3.46Å; I121-W124 PolarHBondContact O-N 3.45Å; Q122-W124 VanDerWaalsContact C-N 3.3Å; Q122-W124 PolarHBondContact O-N 2.97Å; W124-M126 PolarHBondContact O-N 3.42Å; W124-R127 VanDerWaalsContact CE3-NH2 3.31Å; W124-R127 PolarHBondContact O-N 3.16Å; W124-Q128 HydrophobicContact CG-CG 4.47Å; W124-Q128 WeakPolarHBondContact O-CB 3.43Å; W124-Q128 WeakPolarHBondContact O-CG 3.32Å; W124-Q128 PolarHBondContact O-N 3.24Å
125V98.1Very high97Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-60-46.3179.7169.90000111.2Y3 I37 I121 Q122 R127 Q128 A129 I145 F163 F166Y3-V125 HydrophobicContact CD1-CG1 4.34Å; Y3-V125 HydrophobicContact CE1-CG1 4.08Å; I37-V125 HydrophobicContact CD1-CB 4.45Å; I37-V125 HydrophobicContact CD1-CG1 4.2Å; I121-V125 WeakPolarHBondContact O-CG2 3.4Å; I121-V125 PolarHBondContact O-N 2.88Å; Q122-V125 PolarHBondContact O-N 3.07Å; V125-R127 VanDerWaalsContact C-N 3.3Å; V125-R127 PolarHBondContact O-N 3.37Å; V125-Q128 PolarHBondContact O-N 2.98Å; V125-A129 WeakPolarHBondContact O-CB 3.31Å; V125-A129 PolarHBondContact O-N 2.86Å; V125-I145 HydrophobicContact CG1-CD1 3.56Å; V125-F163 HydrophobicContact CG2-CE1 4.45Å; V125-F163 HydrophobicContact CG2-CZ 4.16Å; V125-F166 HydrophobicContact CG1-CZ 4.15Å
126M97.2Very high96.8Very high65 Ų6544.6 Ų44.632%0.3221%0.21SC..Hα-helixtrans-62.1-37.4179.9-71.2-172.5-174.800112.9Q122 W124 R130 F166 K169Q122-M126 VanDerWaalsContact O-CG 3.3Å; Q122-M126 WeakPolarHBondContact O-CG 3.39Å; Q122-M126 PolarHBondContact O-N 2.99Å; W124-M126 PolarHBondContact O-N 3.42Å; M126-R130 WeakPolarHBondContact O-CG 3.43Å; M126-F166 HydrophobicContact CE-CD2 3.81Å; M126-F166 HydrophobicContact CE-CE2 3.35Å; M126-F166 HydrophobicContact CE-CZ 4.33Å; M126-F166 HydrophobicContact CG-CE2 3.67Å; M126-F166 HydrophobicContact CG-CZ 4.24Å; M126-F166 HydrophobicContact SD-CE2 4.37Å; M126-K169 HydrophobicContact CE-CB 4.09Å; M126-K169 HydrophobicContact CE-CD 4.25Å
127R97.4Very high96.6Very high100 Ų10045.1 Ų45.138%0.37723%0.226SC..Hα-helixtrans-72.6-52.2178.7171.1171.638.491.83.2111E123 W124 V125 A129 R130E123-R127 WeakPolarHBondContact O-CB 3.4Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 VanDerWaalsContact O-N 3.12Å; W124-R127 VanDerWaalsContact CE3-NH2 3.31Å; W124-R127 PolarHBondContact O-N 3.16Å; V125-R127 VanDerWaalsContact C-N 3.3Å; V125-R127 PolarHBondContact O-N 3.37Å; R127-A129 VanDerWaalsContact C-N 3.33Å; R127-A129 PolarHBondContact O-N 2.77Å; R127-R130 PolarHBondContact O-N 3.3Å
128Q97.9Very high96.5Very high2 Ų248.5 Ų48.51%0.00924%0.243CC..Hα-helixtrans-66.9-34.1-175.4-68.3-57-35.700112.8I37 D85 W124 V125 R130 I131I37-Q128 HydrophobicContact CD1-CB 3.83Å; I37-Q128 HydrophobicContact CG1-CB 4.45Å; D85-Q128 HydrophobicContact CB-CG 4.14Å; D85-Q128 VanDerWaalsContact CB-NE2 3.26Å; D85-Q128 PolarHBondContact OD2-NE2 3.37Å; W124-Q128 HydrophobicContact CG-CG 4.47Å; W124-Q128 WeakPolarHBondContact O-CB 3.43Å; W124-Q128 WeakPolarHBondContact O-CG 3.32Å; W124-Q128 PolarHBondContact O-N 3.24Å; V125-Q128 PolarHBondContact O-N 2.98Å; Q128-R130 PolarHBondContact O-N 2.95Å; Q128-R130 VanDerWaalsContact O-N 3.13Å; Q128-I131 PolarHBondContact O-N 3.08Å; Q128-I131 VanDerWaalsContact O-N 3.15Å; Q128-I131 VanDerWaalsContact OE1-CD1 3.32Å
129A97.7Very high96.4Very high0 Ų053.2 Ų53.20%027%0.265CS..THydrogen-bonded Turntrans-60.6-24.4177.100000113.5M1 Y3 T35 I37 V125 R127 C143M1-A129 HydrophobicContact CE-CB 4.2Å; M1-A129 WeakPolarHBondContact CE-O 3.38Å; M1-A129 HydrophobicContact CG-CB 4.26Å; M1-A129 HydrophobicContact SD-CB 4.15Å; Y3-A129 HydrophobicContact CE1-CB 3.66Å; T35-A129 WeakPolarHBondContact CG2-O 3.43Å; I37-A129 HydrophobicContact CD1-CB 4.42Å; V125-A129 WeakPolarHBondContact O-CB 3.31Å; V125-A129 PolarHBondContact O-N 2.86Å; R127-A129 VanDerWaalsContact C-N 3.33Å; R127-A129 PolarHBondContact O-N 2.77Å; A129-C143 HydrophobicContact CB-CB 3.75Å
130R97.5Very high96.4Very high150 Ų15051.1 Ų51.157%0.56626%0.255SS*.THydrogen-bonded Turntrans-89.9-12.7-179-63.2-176.4162.7173.6-2.3113.8M1 M126 R127 Q128 P132 E139M1-R130 HydrophobicContact CE-CG 4.07Å; M126-R130 WeakPolarHBondContact O-CG 3.43Å; R127-R130 PolarHBondContact O-N 3.3Å; Q128-R130 PolarHBondContact O-N 2.95Å; Q128-R130 VanDerWaalsContact O-N 3.13Å; R130-P132 WeakPolarHBondContact O-CD 3.46Å; R130-E139 HydrophobicContact CB-CG 4.27Å; R130-E139 VanDerWaalsContact CG-OE1 3.29Å; R130-E139 WeakPolarHBondContact CG-OE1 3.34Å; R130-E139 IonicContact NE-OE1 2.87Å
131I97.4Very high96.4Very high62 Ų6254.3 Ų54.332%0.31827%0.269SS..SBendtrans-73.4126-179.5-57.7-171.1000108Q128 V133Q128-I131 PolarHBondContact O-N 3.08Å; Q128-I131 VanDerWaalsContact O-N 3.15Å; Q128-I131 VanDerWaalsContact OE1-CD1 3.32Å; I131-V133 PolarHBondContact O-N 2.79Å
132P96.7Very high96.4Very high55 Ų5554.2 Ų54.236%0.35727%0.268SS..  trans-59.6135174.1-23.434.3000111.5R130 G137 I138R130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-G137 VanDerWaalsContact CB-C 3.48Å; P132-G137 WeakPolarHBondContact CG-O 3.19Å; P132-I138 WeakPolarHBondContact CB-O 3.42Å
133V95.9Very high96.4Very high8 Ų854.1 Ų54.15%0.04827%0.268CS..  trans-120.8-4.4177.7-63.70000112.5T35 I80 R81 L82 I131T35-V133 WeakPolarHBondContact OG1-CG1 3.43Å; I80-V133 HydrophobicContact CB-CB 4.3Å; I80-V133 HydrophobicContact CB-CG2 4.05Å; I80-V133 HydrophobicContact CD1-CG2 4.24Å; I80-V133 HydrophobicContact CG2-CG2 4.03Å; R81-V133 PolarHBondContact N-O 3.39Å; R81-V133 WeakPolarHBondContact O-CB 3.48Å; L82-V133 HydrophobicContact CD2-CG1 4.12Å; I131-V133 PolarHBondContact O-N 2.79Å
134D92.6Very high96.4Very high26 Ų2649.4 Ų49.414%0.13925%0.246CC..SBendtrans-95.5157.2172-77.1-49.1000109.8K28 H33 D136 G137K28-D134 IonicContact NZ-OD1 2.96Å; K28-D134 PolarHBondContact NZ-OD1 3.16Å; K28-D134 IonicContact NZ-OD2 2.64Å; H33-D134 IonicContact ND1-OD2 2.75Å; H33-D134 PolarHBondContact ND1-OD2 3.22Å; D134-D136 WeakPolarHBondContact CB-OD1 3.47Å; D134-D136 PolarHBondContact O-N 2.7Å; D134-G137 PolarHBondContact O-N 3.02Å
135E88Confident96.4Very high157 Ų15748.6 Ų48.673%0.73424%0.243SC*.THydrogen-bonded Turntrans-68-19.1-177.4-64.1-176.1167.700113.5R81 G137R81-E135 IonicContact CZ-OE1 3.64Å; R81-E135 IonicContact NE-OE1 3.66Å; R81-E135 IonicContact NH2-OE1 3.35Å; R81-E135 PolarHBondContact NH2-OE1 2.94Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 2.91Å
136D92.6Very high96.4Very high89 Ų8948.6 Ų48.648%0.47624%0.243SC..THydrogen-bonded Turntrans-77.5-9178.358.122.9000114.2H33 D134 I138H33-D136 IonicContact CE1-OD2 2.62Å; H33-D136 PolarHBondContact CE1-OD2 3.38Å; H33-D136 IonicContact ND1-OD2 3.91Å; D134-D136 WeakPolarHBondContact CB-OD1 3.47Å; D134-D136 PolarHBondContact O-N 2.7Å; D136-I138 HydrophobicContact CB-CD1 4.21Å; D136-I138 HydrophobicContact CB-CG1 4.18Å; D136-I138 PolarHBondContact O-N 3.41Å; D136-I138 PolarHBondContact OD1-N 3.35Å
137G93.4Very high96.4Very high49 Ų4945.7 Ų45.751%0.50523%0.229SC..  trans69.616.917800000114.6P132 D134 E135P132-G137 VanDerWaalsContact CB-C 3.48Å; P132-G137 WeakPolarHBondContact CG-O 3.19Å; D134-G137 PolarHBondContact O-N 3.02Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 2.91Å
138I96.2Very high96.2Very high83 Ų8341.1 Ų41.143%0.42621%0.212SC..PPolyproline II helixtrans-82.3138.8-178.2-61.2176.5000110.9P132 D136P132-I138 WeakPolarHBondContact CB-O 3.42Å; D136-I138 HydrophobicContact CB-CD1 4.21Å; D136-I138 HydrophobicContact CB-CG1 4.18Å; D136-I138 PolarHBondContact O-N 3.41Å; D136-I138 PolarHBondContact OD1-N 3.35Å
139E97.2Very high95.9Very high99 Ų9942.1 Ų42.146%0.46322%0.223SC..PPolyproline II helixtrans-60.5127.9174.8-178.5177.4167.500110.4M1 R130M1-E139 HydrophobicContact CE-CG 4.29Å; R130-E139 HydrophobicContact CB-CG 4.27Å; R130-E139 VanDerWaalsContact CG-OE1 3.29Å; R130-E139 WeakPolarHBondContact CG-OE1 3.34Å; R130-E139 IonicContact NE-OE1 2.87Å
140P97.8Very high95.6Very high4 Ų443.3 Ų43.33%0.02623%0.231CC..PPolyproline II helixtrans-59.1148.1179.3-25.134.5000113.4M1 T35M1-P140 HydrophobicContact CE-CB 4.28Å; M1-P140 WeakPolarHBondContact CE-O 3.24Å; T35-P140 HydrophobicContact CG2-CB 3.82Å; T35-P140 HydrophobicContact CG2-CG 3.91Å
141Q97.6Very high95.3Very high70 Ų7037 Ų3733%0.32721%0.208SC..SBendtrans-92.8-32.8174.9-66.7170.3-65.300111.6M1 K2 H33M1-Q141 CarbonylContact C-O 3.33Å; M1-Q141 VanDerWaalsContact CA-O 3.28Å; M1-Q141 WeakPolarHBondContact CA-O 3.25Å; K2-Q141 PolarHBondContact N-O 3.43Å; H33-Q141 PolarHBondContact O-N 2.71Å
142V98.3Very high94.9Very high0 Ų035.5 Ų35.50%021%0.209CC..EExtended strand (participates in β ladder)trans-127.2135-179-171.70000110.5K2 I4 L27 L32 H33 V34 T35 L272K2-V142 HydrophobicContact CB-CG2 4.34Å; K2-V142 CarbonylContact O-C 3.55Å; K2-V142 WeakPolarHBondContact O-CA 3.18Å; I4-V142 HydrophobicContact CD1-CG1 3.84Å; I4-V142 HydrophobicContact CG1-CG1 4.14Å; L27-V142 HydrophobicContact CD1-CB 4.49Å; L27-V142 HydrophobicContact CD1-CG1 3.93Å; L27-V142 HydrophobicContact CD1-CG2 4.49Å; L32-V142 HydrophobicContact CD1-CG2 4.15Å; H33-V142 PolarHBondContact O-N 3.31Å; H33-V142 VanDerWaalsContact O-N 3.16Å; V34-V142 WeakPolarHBondContact CA-O 2.9Å; V34-V142 HydrophobicContact CG2-CB 4.49Å; T35-V142 PolarHBondContact N-O 3.42Å; V142-L272 HydrophobicContact CG2-CD1 4.36Å; V142-L272 HydrophobicContact CG2-CD2 3.74Å
143C98.5Very high94.7Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-113116.6170.5176.80000109.3M1 K2 Y3 I4 T35 A129M1-C143 HydrophobicContact SD-CB 4.15Å; K2-C143 PolarHBondContact O-N 3.25Å; Y3-C143 WeakPolarHBondContact CA-O 2.99Å; Y3-C143 HydrophobicContact CD1-CB 3.83Å; Y3-C143 HydrophobicContact CE1-CB 4.13Å; I4-C143 PolarHBondContact N-O 3.23Å; T35-C143 HydrophobicContact CG2-CB 3.71Å; T35-C143 WeakPolarHBondContact O-CA 3.11Å; A129-C143 HydrophobicContact CB-CB 3.75Å
144V98.6Very high94.7Very high1 Ų142.1 Ų42.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-86.6121.6170.5-177.30000107.8V6 A20 V34 T35 S36 I37V6-V144 HydrophobicContact CG2-CG1 4.3Å; A20-V144 HydrophobicContact CB-CG1 3.85Å; V34-V144 HydrophobicContact CG1-CG2 3.94Å; T35-V144 PolarHBondContact O-N 3.37Å; S36-V144 CarbonylContact C-O 3.38Å; S36-V144 VanDerWaalsContact CA-O 3.27Å; S36-V144 WeakPolarHBondContact CA-O 3.39Å; I37-V144 PolarHBondContact N-O 3.45Å
145I98.6Very high94.8Very high0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-112.4118.9-178.3-55.8171.3000107.7Y3 I4 L5 V6 I37 I39 V125 F163Y3-I145 HydrophobicContact CD1-CD1 3.93Å; I4-I145 PolarHBondContact O-N 3.19Å; L5-I145 CarbonylContact C-O 3.28Å; L5-I145 WeakPolarHBondContact CA-O 3.27Å; L5-I145 HydrophobicContact CD1-CB 4.08Å; L5-I145 HydrophobicContact CD1-CG2 3.76Å; V6-I145 PolarHBondContact N-O 2.9Å; I37-I145 HydrophobicContact CB-CG1 4.47Å; I37-I145 CarbonylContact O-C 3.54Å; I37-I145 VanDerWaalsContact O-CA 3.29Å; I37-I145 WeakPolarHBondContact O-CA 3.5Å; I39-I145 HydrophobicContact CD1-CG2 3.86Å; I39-I145 HydrophobicContact CG1-CG2 4.45Å; V125-I145 HydrophobicContact CG1-CD1 3.56Å; I145-F163 HydrophobicContact CD1-CE1 3.81Å; I145-F163 HydrophobicContact CD1-CZ 4.19Å; I145-F163 HydrophobicContact CG2-CE1 4.39Å; I145-F163 HydrophobicContact CG2-CE2 4.43Å; I145-F163 HydrophobicContact CG2-CZ 3.77Å
146E98Very high95.1Very high1 Ų138.7 Ų38.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-98.5120.4170.5179.2-17417900110.3K16 G17 A20 I37 K38 I39 Y74K16-E146 HydrophobicContact CB-CG 4.19Å; K16-E146 WeakPolarHBondContact CB-OE1 3.23Å; K16-E146 WeakPolarHBondContact CE-OE1 3.43Å; G17-E146 WeakPolarHBondContact CA-OE2 3.43Å; G17-E146 PolarHBondContact N-OE1 2.89Å; A20-E146 HydrophobicContact CB-CB 4.48Å; I37-E146 PolarHBondContact O-N 3.12Å; K38-E146 HydrophobicContact CD-CB 3.79Å; K38-E146 VanDerWaalsContact CD-CD 3.45Å; K38-E146 HydrophobicContact CD-CG 3.75Å; K38-E146 VanDerWaalsContact CD-OE2 3.23Å; K38-E146 WeakPolarHBondContact CD-OE2 3.44Å; K38-E146 WeakPolarHBondContact CE-OE1 3.46Å; K38-E146 WeakPolarHBondContact CE-OE2 3.45Å; I39-E146 PolarHBondContact N-O 2.9Å; Y74-E146 WeakPolarHBondContact OH-CB 3.34Å; Y74-E146 PolarHBondContact OH-OE2 3.26Å
147L97Very high95.2Very high4 Ų438.8 Ų38.82%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-88.4108.9166.4-178.358000109.7L5 V6 T7 K16 I39 F159 I160L5-L147 HydrophobicContact CD1-CB 4.22Å; V6-L147 PolarHBondContact O-N 3.24Å; T7-L147 HydrophobicContact CG2-CB 4.46Å; T7-L147 HydrophobicContact CG2-CD2 4.32Å; K16-L147 WeakPolarHBondContact CD-O 3.25Å; K16-L147 VanDerWaalsContact CE-O 3.25Å; K16-L147 WeakPolarHBondContact CE-O 3.32Å; I39-L147 HydrophobicContact CB-CD1 3.98Å; I39-L147 HydrophobicContact CG2-CD1 3.6Å; L147-F159 HydrophobicContact CD1-CB 3.68Å; L147-F159 HydrophobicContact CD1-CD2 4.32Å; L147-F159 HydrophobicContact CD1-CG 4.04Å; L147-F159 HydrophobicContact CD2-CB 4.38Å; L147-I160 HydrophobicContact CD2-CG1 3.77Å
148G93.6Very high95.4Very high3 Ų337.3 Ų37.33%0.03120%0.203CC..  trans-60.6170.2172.800000113.2I39I39-G148 VanDerWaalsContact O-CA 3.3Å; I39-G148 WeakPolarHBondContact O-CA 3.45Å; I39-G148 PolarHBondContact O-N 2.88Å
149G90.8Very high95.5Very high23 Ų2333.6 Ų33.624%0.23718%0.184CC..SBendtrans70.8-159.6-176.300000113.8K16K16-G149 PolarHBondContact NZ-O 3.47Å
150T92.5Very high95.5Very high26 Ų2628.9 Ų28.916%0.1616%0.162CC..  trans-121.1150.6175.656.70000111.8G9 I11 G152 D153 S156G9-T150 WeakPolarHBondContact O-CB 3.38Å; G9-T150 WeakPolarHBondContact O-CG2 3.29Å; I11-T150 VanDerWaalsContact C-CG2 3.45Å; T150-G152 PolarHBondContact O-N 3.09Å; T150-D153 PolarHBondContact N-OD2 3.28Å; T150-D153 VanDerWaalsContact N-OD2 3.16Å; T150-D153 PolarHBondContact O-N 3.33Å; T150-D153 VanDerWaalsContact OG1-CG 3.25Å; T150-D153 PolarHBondContact OG1-OD1 2.9Å; T150-D153 PolarHBondContact OG1-OD2 3.4Å; T150-S156 PolarHBondContact O-OG 2.88Å
151V91.2Very high95.5Very high16 Ų1631 Ų3110%0.09717%0.172CC..THydrogen-bonded Turntrans-68.7129.6174.3170.90000109.2G8 I160 E203 L204 L207G8-V151 WeakPolarHBondContact O-CB 3.27Å; G8-V151 WeakPolarHBondContact O-CG2 3.36Å; G8-V151 PolarHBondContact O-N 3.46Å; V151-I160 HydrophobicContact CB-CD1 4.38Å; V151-I160 HydrophobicContact CG1-CD1 4.09Å; V151-I160 HydrophobicContact CG2-CD1 4.07Å; V151-E203 HydrophobicContact CG1-CB 4.34Å; V151-E203 HydrophobicContact CG1-CG 4.02Å; V151-L204 HydrophobicContact CG1-CB 4.16Å; V151-L204 HydrophobicContact CG1-CD1 4.25Å; V151-L204 HydrophobicContact CG2-CD1 3.96Å; V151-L207 HydrophobicContact CG1-CD1 3.98Å
152G88.9Confident95.6Very high32 Ų3227.7 Ų27.733%0.3316%0.156SC..THydrogen-bonded Turntrans109.4-13.9-178.200000113.3T150T150-G152 PolarHBondContact O-N 3.09Å
153D92.5Very high95.6Very high61 Ų6127.8 Ų27.833%0.32616%0.156SC..  trans-73.1143.6174.8-61.9-31.7000111T150 E155 S156 M157T150-D153 PolarHBondContact N-OD2 3.28Å; T150-D153 VanDerWaalsContact N-OD2 3.16Å; T150-D153 PolarHBondContact O-N 3.33Å; T150-D153 VanDerWaalsContact OG1-CG 3.25Å; T150-D153 PolarHBondContact OG1-OD1 2.9Å; T150-D153 PolarHBondContact OG1-OD2 3.4Å; D153-E155 PolarHBondContact O-N 3.41Å; D153-S156 PolarHBondContact O-N 3.1Å; D153-S156 PolarHBondContact O-OG 3.37Å; D153-M157 PolarHBondContact O-N 3.48Å
154I95.2Very high95.5Very high141 Ų14131.4 Ų31.472%0.72317%0.17SC*.G310 helixtrans-55.5-39.2177.8-63173.1000111S156 M157I154-S156 VanDerWaalsContact C-N 3.25Å; I154-S156 PolarHBondContact O-N 3.42Å; I154-M157 HydrophobicContact CG1-CE 4.36Å; I154-M157 PolarHBondContact O-N 3.34Å
155E94.8Very high95.5Very high108 Ų10832.8 Ų32.851%0.50518%0.176SC..G310 helixtrans-66-28.5-178.3-50.4170.713700112.3P41 D153P41-E155 HydrophobicContact CB-CB 3.72Å; D153-E155 PolarHBondContact O-N 3.41Å
156S93.3Very high95.5Very high2 Ų232.8 Ų32.81%0.01418%0.176CC..G310 helixtrans-83.2-19-17975.90000113.7T150 D153 I154 F159 I160T150-S156 PolarHBondContact O-OG 2.88Å; D153-S156 PolarHBondContact O-N 3.1Å; D153-S156 PolarHBondContact O-OG 3.37Å; I154-S156 VanDerWaalsContact C-N 3.25Å; I154-S156 PolarHBondContact O-N 3.42Å; S156-F159 PolarHBondContact O-N 3.47Å; S156-F159 VanDerWaalsContact O-N 3.14Å; S156-I160 PolarHBondContact O-N 3.22Å
157M95.8Very high95.4Very high92 Ų9234.9 Ų34.945%0.45319%0.186SC..Hα-helixtrans-56.6-45.7-172.2-64.8-177.9177.300113.9D153 I154 F159 I160 E161D153-M157 PolarHBondContact O-N 3.48Å; I154-M157 HydrophobicContact CG1-CE 4.36Å; I154-M157 PolarHBondContact O-N 3.34Å; M157-F159 VanDerWaalsContact C-N 3.3Å; M157-F159 PolarHBondContact O-N 2.93Å; M157-I160 PolarHBondContact O-N 3.09Å; M157-E161 PolarHBondContact O-N 3.35Å
158P97.6Very high95.3Very high18 Ų1841.6 Ų41.612%0.11722%0.216CC..Hα-helixtrans-62.8-36.3179.3-22.134.7000112.8V113 I117 A162V113-P158 HydrophobicContact CG1-CB 4.16Å; V113-P158 HydrophobicContact CG1-CG 4.36Å; I117-P158 HydrophobicContact CG2-CB 4.33Å; P158-A162 WeakPolarHBondContact O-CB 3.49Å; P158-A162 PolarHBondContact O-N 2.91Å
159F98.1Very high95.3Very high4 Ų446.8 Ų46.82%0.01824%0.237CC..Hα-helixtrans-73.4-42.4-179.5-61.1-73.7000111.9I39 P41 T90 I121 L147 S156 M157 E161 A162 F163I39-F159 HydrophobicContact CD1-CD1 4.44Å; I39-F159 HydrophobicContact CG2-CD1 3.42Å; I39-F159 VanDerWaalsContact CG2-CD1 3.42Å; I39-F159 HydrophobicContact CG2-CD2 4.11Å; I39-F159 HydrophobicContact CG2-CE1 3.42Å; I39-F159 VanDerWaalsContact CG2-CE1 3.42Å; I39-F159 HydrophobicContact CG2-CE2 4.12Å; I39-F159 HydrophobicContact CG2-CG 3.77Å; I39-F159 HydrophobicContact CG2-CZ 3.77Å; P41-F159 HydrophobicContact CB-CE2 4.42Å; T90-F159 WeakPolarHBondContact OG1-CE2 3.46Å; I121-F159 HydrophobicContact CD1-CD1 3.6Å; I121-F159 HydrophobicContact CD1-CE1 3.83Å; I121-F159 HydrophobicContact CD1-CG 4.4Å; I121-F159 HydrophobicContact CG1-CD1 4.16Å; I121-F159 HydrophobicContact CG1-CE1 4.12Å; I121-F159 HydrophobicContact CG2-CD1 4.23Å; L147-F159 HydrophobicContact CD1-CB 3.68Å; L147-F159 HydrophobicContact CD1-CD2 4.32Å; L147-F159 HydrophobicContact CD1-CG 4.04Å; L147-F159 HydrophobicContact CD2-CB 4.38Å; S156-F159 PolarHBondContact O-N 3.47Å; S156-F159 VanDerWaalsContact O-N 3.14Å; M157-F159 VanDerWaalsContact C-N 3.3Å; M157-F159 PolarHBondContact O-N 2.93Å; F159-E161 VanDerWaalsContact C-N 3.35Å; F159-E161 PolarHBondContact O-N 3.16Å; F159-A162 WeakPolarHBondContact O-CB 3.35Å; F159-A162 PolarHBondContact O-N 2.61Å; F159-F163 WeakPolarHBondContact O-CD2 3.38Å; F159-F163 PolarHBondContact O-N 3.36Å
160I97.5Very high95.4Very high1 Ų146.3 Ų46.31%0.00523%0.231CC..Hα-helixtrans-63.6-43.2177.5-64.5172.8000110.3L147 V151 S156 M157 A162 F163 R164 L207 L209L147-I160 HydrophobicContact CD2-CG1 3.77Å; V151-I160 HydrophobicContact CB-CD1 4.38Å; V151-I160 HydrophobicContact CG1-CD1 4.09Å; V151-I160 HydrophobicContact CG2-CD1 4.07Å; S156-I160 PolarHBondContact O-N 3.22Å; M157-I160 PolarHBondContact O-N 3.09Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 2.74Å; I160-F163 PolarHBondContact O-N 3.4Å; I160-R164 WeakPolarHBondContact O-CB 3.32Å; I160-R164 PolarHBondContact O-N 2.85Å; I160-L207 HydrophobicContact CB-CD1 4.48Å; I160-L207 HydrophobicContact CD1-CD1 3.6Å; I160-L207 HydrophobicContact CG2-CB 3.54Å; I160-L207 HydrophobicContact CG2-CD1 3.97Å; I160-L207 HydrophobicContact CG2-CG 4.35Å; I160-L209 HydrophobicContact CG2-CD1 3.92Å; I160-L209 HydrophobicContact CG2-CG 4.39Å
161E98.3Very high95.4Very high49 Ų4951.1 Ų51.123%0.22925%0.25CC..Hα-helixtrans-63.2-38.7174.7177.553.9-150.900111.9V114 T118 M157 F159 F163 R164 Q165V114-E161 HydrophobicContact CG2-CG 3.97Å; T118-E161 HydrophobicContact CG2-CB 4.26Å; T118-E161 HydrophobicContact CG2-CG 3.95Å; M157-E161 PolarHBondContact O-N 3.35Å; F159-E161 VanDerWaalsContact C-N 3.35Å; F159-E161 PolarHBondContact O-N 3.16Å; E161-F163 PolarHBondContact O-N 2.81Å; E161-R164 VanDerWaalsContact CD-NE 3.31Å; E161-R164 WeakPolarHBondContact O-CB 3.5Å; E161-R164 PolarHBondContact O-N 3.27Å; E161-R164 IonicContact OE1-CZ 3.06Å; E161-R164 IonicContact OE1-NE 3.15Å; E161-R164 PolarHBondContact OE1-NE 3.21Å; E161-R164 VanDerWaalsContact OE1-NE 3.1Å; E161-R164 IonicContact OE1-NH2 3.45Å; E161-R164 PolarHBondContact OE1-NH2 2.91Å; E161-R164 WeakPolarHBondContact OE2-CD 3.26Å; E161-R164 IonicContact OE2-CZ 2.76Å; E161-R164 IonicContact OE2-NE 3.86Å; E161-R164 PolarHBondContact OE2-NE 3.18Å; E161-R164 IonicContact OE2-NH2 3.36Å; E161-Q165 WeakPolarHBondContact O-CG 3.28Å; E161-Q165 PolarHBondContact O-N 3.35Å; E161-Q165 VanDerWaalsContact O-N 3.13Å; E161-Q165 PolarHBondContact OE1-NE2 3.04Å
162A98.4Very high95.5Very high0 Ų059.6 Ų59.60%028%0.28CS..Hα-helixtrans-59.9-45.7174.100000111.8T118 I121 Q122 P158 F159 I160 Q165 F166T118-A162 HydrophobicContact CG2-CB 4.07Å; I121-A162 HydrophobicContact CB-CB 3.94Å; I121-A162 HydrophobicContact CD1-CB 4.01Å; I121-A162 HydrophobicContact CG2-CB 3.79Å; Q122-A162 HydrophobicContact CG-CB 4.44Å; Q122-A162 PolarHBondContact NE2-O 2.9Å; P158-A162 WeakPolarHBondContact O-CB 3.49Å; P158-A162 PolarHBondContact O-N 2.91Å; F159-A162 WeakPolarHBondContact O-CB 3.35Å; F159-A162 PolarHBondContact O-N 2.61Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 2.74Å; A162-Q165 PolarHBondContact O-N 3.24Å; A162-F166 WeakPolarHBondContact O-CB 3.42Å; A162-F166 PolarHBondContact O-N 3.25Å
163F98.3Very high95.9Very high2 Ų262.1 Ų62.11%0.00928%0.283CS..Hα-helixtrans-73.1-29.5178.1-73.8-65.5000113.8L5 I39 V125 I145 F159 I160 E161 Q165 F166 Q167 F175 L209L5-F163 HydrophobicContact CD1-CD1 4.4Å; L5-F163 HydrophobicContact CD1-CD2 3.94Å; L5-F163 HydrophobicContact CD1-CE1 4.33Å; L5-F163 HydrophobicContact CD1-CE2 3.87Å; L5-F163 HydrophobicContact CD1-CG 4.23Å; L5-F163 HydrophobicContact CD1-CZ 4.08Å; L5-F163 HydrophobicContact CD2-CB 3.81Å; L5-F163 HydrophobicContact CD2-CD1 4.28Å; L5-F163 HydrophobicContact CD2-CD2 4Å; L5-F163 HydrophobicContact CD2-CG 3.76Å; I39-F163 HydrophobicContact CD1-CE2 3.36Å; I39-F163 HydrophobicContact CD1-CZ 3.46Å; I39-F163 VanDerWaalsContact CD1-CZ 3.46Å; V125-F163 HydrophobicContact CG2-CE1 4.45Å; V125-F163 HydrophobicContact CG2-CZ 4.16Å; I145-F163 HydrophobicContact CD1-CE1 3.81Å; I145-F163 HydrophobicContact CD1-CZ 4.19Å; I145-F163 HydrophobicContact CG2-CE1 4.39Å; I145-F163 HydrophobicContact CG2-CE2 4.43Å; I145-F163 HydrophobicContact CG2-CZ 3.77Å; F159-F163 WeakPolarHBondContact O-CD2 3.38Å; F159-F163 PolarHBondContact O-N 3.36Å; I160-F163 PolarHBondContact O-N 3.4Å; E161-F163 PolarHBondContact O-N 2.81Å; F163-Q165 VanDerWaalsContact C-N 3.27Å; F163-Q165 PolarHBondContact O-N 3.01Å; F163-F166 HydrophobicContact CD1-CB 4.15Å; F163-F166 HydrophobicContact CD1-CD1 4.03Å; F163-F166 HydrophobicContact CD1-CG 4.27Å; F163-F166 HydrophobicContact CE1-CD1 4.38Å; F163-F166 PolarHBondContact O-N 2.81Å; F163-Q167 PolarHBondContact O-N 2.94Å; F163-F175 HydrophobicContact CB-CZ 4.45Å; F163-F175 HydrophobicContact CD1-CE2 4.07Å; F163-F175 HydrophobicContact CD1-CZ 4.46Å; F163-L209 HydrophobicContact CB-CD1 4.25Å; F163-L209 HydrophobicContact CB-CD2 4.46Å
164R97.7Very high96.1Very high75 Ų7560.9 Ų60.928%0.28328%0.277SS..Hα-helixtrans-59.4-40171-170.8-154.466.574.21.5111.1I160 E161 Q167 F168 L207I160-R164 WeakPolarHBondContact O-CB 3.32Å; I160-R164 PolarHBondContact O-N 2.85Å; E161-R164 VanDerWaalsContact CD-NE 3.31Å; E161-R164 WeakPolarHBondContact O-CB 3.5Å; E161-R164 PolarHBondContact O-N 3.27Å; E161-R164 IonicContact OE1-CZ 3.06Å; E161-R164 IonicContact OE1-NE 3.15Å; E161-R164 PolarHBondContact OE1-NE 3.21Å; E161-R164 VanDerWaalsContact OE1-NE 3.1Å; E161-R164 IonicContact OE1-NH2 3.45Å; E161-R164 PolarHBondContact OE1-NH2 2.91Å; E161-R164 WeakPolarHBondContact OE2-CD 3.26Å; E161-R164 IonicContact OE2-CZ 2.76Å; E161-R164 IonicContact OE2-NE 3.86Å; E161-R164 PolarHBondContact OE2-NE 3.18Å; E161-R164 IonicContact OE2-NH2 3.36Å; R164-Q167 VanDerWaalsContact O-CG 3.32Å; R164-Q167 WeakPolarHBondContact O-CG 3.27Å; R164-Q167 PolarHBondContact O-NE2 3.38Å; R164-F168 WeakPolarHBondContact O-CD2 3.29Å; R164-F168 WeakPolarHBondContact O-CE2 3.49Å; R164-L207 WeakPolarHBondContact CD-O 3.34Å
165Q98.1Very high96.3Very high31 Ų3154.5 Ų54.515%0.14524%0.244CC..Hα-helixtrans-74.4-40.3173-65.3173.115.800111.7Q122 E161 A162 F163 Q167 F168 K169Q122-Q165 VanDerWaalsContact NE2-OE1 3.08Å; E161-Q165 WeakPolarHBondContact O-CG 3.28Å; E161-Q165 PolarHBondContact O-N 3.35Å; E161-Q165 VanDerWaalsContact O-N 3.13Å; E161-Q165 PolarHBondContact OE1-NE2 3.04Å; A162-Q165 PolarHBondContact O-N 3.24Å; F163-Q165 VanDerWaalsContact C-N 3.27Å; F163-Q165 PolarHBondContact O-N 3.01Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q165-Q167 PolarHBondContact O-N 3.41Å; Q165-F168 PolarHBondContact O-N 3.16Å; Q165-F168 VanDerWaalsContact O-N 3.13Å; Q165-K169 PolarHBondContact O-N 3.08Å
166F97.9Very high96.4Very high0 Ų049.3 Ų49.30%022%0.219CC..Hα-helixtrans-59.3-38.7-176-170-107.9000113.6Y3 Q122 V125 M126 A162 F163 F168 K169 A170 F175Y3-F166 HydrophobicContact CD1-CE1 4.1Å; Y3-F166 HydrophobicContact CD1-CZ 4.14Å; Y3-F166 AromaticContact CD2-CE1 3.63Å; Y3-F166 HydrophobicContact CD2-CE1 3.63Å; Y3-F166 AromaticContact CD2-CZ 3.84Å; Y3-F166 HydrophobicContact CD2-CZ 3.84Å; Y3-F166 HydrophobicContact CE1-CE1 4.37Å; Y3-F166 AromaticContact CE1-CZ 3.95Å; Y3-F166 HydrophobicContact CE1-CZ 3.95Å; Y3-F166 AromaticContact CE2-CE1 3.95Å; Y3-F166 HydrophobicContact CE2-CE1 3.95Å; Y3-F166 AromaticContact CE2-CZ 3.64Å; Y3-F166 HydrophobicContact CE2-CZ 3.64Å; Y3-F166 AromaticContact CG-CE1 3.71Å; Y3-F166 HydrophobicContact CG-CE1 3.71Å; Y3-F166 HydrophobicContact CG-CZ 4.08Å; Y3-F166 AromaticContact CZ-CZ 3.69Å; Q122-F166 HydrophobicContact CB-CD2 4.05Å; Q122-F166 HydrophobicContact CG-CB 4.15Å; Q122-F166 HydrophobicContact CG-CD2 3.84Å; Q122-F166 HydrophobicContact CG-CG 4.45Å; V125-F166 HydrophobicContact CG1-CZ 4.15Å; M126-F166 HydrophobicContact CE-CD2 3.81Å; M126-F166 HydrophobicContact CE-CE2 3.35Å; M126-F166 HydrophobicContact CE-CZ 4.33Å; M126-F166 HydrophobicContact CG-CE2 3.67Å; M126-F166 HydrophobicContact CG-CZ 4.24Å; M126-F166 HydrophobicContact SD-CE2 4.37Å; A162-F166 WeakPolarHBondContact O-CB 3.42Å; A162-F166 PolarHBondContact O-N 3.25Å; F163-F166 HydrophobicContact CD1-CB 4.15Å; F163-F166 HydrophobicContact CD1-CD1 4.03Å; F163-F166 HydrophobicContact CD1-CG 4.27Å; F163-F166 HydrophobicContact CE1-CD1 4.38Å; F163-F166 PolarHBondContact O-N 2.81Å; F166-F168 PolarHBondContact O-N 3.31Å; F166-F168 VanDerWaalsContact O-N 3.15Å; F166-K169 PolarHBondContact O-N 2.92Å; F166-A170 HydrophobicContact CD1-CB 4.35Å; F166-A170 HydrophobicContact CE1-CB 4.14Å; F166-A170 WeakPolarHBondContact O-CB 3.4Å; F166-A170 PolarHBondContact O-N 3.04Å; F166-F175 AromaticContact CD1-CD2 3.8Å; F166-F175 HydrophobicContact CD1-CD2 3.8Å; F166-F175 AromaticContact CD1-CE2 3.9Å; F166-F175 HydrophobicContact CD1-CE2 3.9Å; F166-F175 HydrophobicContact CE1-CD2 4.1Å; F166-F175 HydrophobicContact CE1-CE2 4.42Å
167Q95.8Very high96.7Very high45 Ų4549.3 Ų49.321%0.2122%0.219CC..Hα-helixtrans-57-31.9178.774.1-168.9-35.800112.4F163 R164 Q165 K171 F175 G208F163-Q167 PolarHBondContact O-N 2.94Å; R164-Q167 VanDerWaalsContact O-CG 3.32Å; R164-Q167 WeakPolarHBondContact O-CG 3.27Å; R164-Q167 PolarHBondContact O-NE2 3.38Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q165-Q167 PolarHBondContact O-N 3.41Å; Q167-K171 CarbonylContact O-C 3.57Å; Q167-K171 PolarHBondContact O-N 3.18Å; Q167-K171 VanDerWaalsContact O-N 3.16Å; Q167-F175 HydrophobicContact CB-CD1 3.71Å; Q167-F175 HydrophobicContact CB-CE1 4.04Å; Q167-F175 HydrophobicContact CB-CG 4.11Å; Q167-G208 PolarHBondContact NE2-O 3.13Å; Q167-G208 VanDerWaalsContact NE2-O 3.11Å
168F95.3Very high96.8Very high145 Ų14544.9 Ų44.964%0.63620%0.197SC*.Hα-helixtrans-77.7-37.5176.4-56.6-66.3000112R164 Q165 F166R164-F168 WeakPolarHBondContact O-CD2 3.29Å; R164-F168 WeakPolarHBondContact O-CE2 3.49Å; Q165-F168 PolarHBondContact O-N 3.16Å; Q165-F168 VanDerWaalsContact O-N 3.13Å; F166-F168 PolarHBondContact O-N 3.31Å; F166-F168 VanDerWaalsContact O-N 3.15Å
169K93.7Very high96.8Very high112 Ų11244 Ų4449%0.48719%0.192SC..Hα-helixtrans-67.4-40.6175-67.9-168-172.2163.40111.7D119 M126 Q165 F166D119-K169 IonicContact OD1-NZ 2.72Å; D119-K169 PolarHBondContact OD1-NZ 3.35Å; M126-K169 HydrophobicContact CE-CB 4.09Å; M126-K169 HydrophobicContact CE-CD 4.25Å; Q165-K169 PolarHBondContact O-N 3.08Å; F166-K169 PolarHBondContact O-N 2.92Å
170A93.4Very high96.8Very high13 Ų1343.9 Ų43.911%0.10719%0.191CC..Hα-helixtrans-75.2-27.2-17900000113.2Y3 F166 N174 F175Y3-A170 HydrophobicContact CD2-CB 4.3Å; F166-A170 HydrophobicContact CD1-CB 4.35Å; F166-A170 HydrophobicContact CE1-CB 4.14Å; F166-A170 WeakPolarHBondContact O-CB 3.4Å; F166-A170 PolarHBondContact O-N 3.04Å; A170-N174 HydrophobicContact CB-CB 4.42Å; A170-N174 VanDerWaalsContact O-CB 3.28Å; A170-N174 WeakPolarHBondContact O-CB 3.48Å; A170-N174 PolarHBondContact O-ND2 3.49Å; A170-F175 HydrophobicContact CB-CB 4.33Å
171K92.8Very high96.8Very high126 Ų12643.9 Ų43.955%0.54819%0.191SC..  trans77.2156.1-164.9-50178.7179.5-178.80113.6Q167 E173 N174 F175Q167-K171 CarbonylContact O-C 3.57Å; Q167-K171 PolarHBondContact O-N 3.18Å; Q167-K171 VanDerWaalsContact O-N 3.16Å; K171-E173 VanDerWaalsContact CD-OE1 3.3Å; K171-E173 WeakPolarHBondContact CD-OE1 3.42Å; K171-E173 PolarHBondContact O-N 3.18Å; K171-N174 PolarHBondContact O-N 2.86Å; K171-N174 VanDerWaalsContact O-N 3.13Å; K171-F175 PolarHBondContact O-N 3Å
172R92.3Very high96.7Very high194 Ų19443.5 Ų43.573%0.73219%0.19SC*.G310 helixtrans-56.1-49.5-174.2-176.9179.7174.9107.90.7111.6N174 F175 R269R172-N174 PolarHBondContact O-N 3.25Å; R172-F175 PolarHBondContact O-N 3.29Å; R172-F175 VanDerWaalsContact O-O 3.05Å; R172-R269 PolarHBondContact O-NH1 2.63Å
173E96.2Very high96.6Very high85 Ų8543.5 Ų43.540%0.39719%0.191SC..G310 helixtrans-71.2-4.1-177.566.9-81.8-172.200114.7K2 K171 L270K2-E173 PolarHBondContact NZ-O 3.31Å; K2-E173 VanDerWaalsContact NZ-O 3.09Å; K171-E173 VanDerWaalsContact CD-OE1 3.3Å; K171-E173 WeakPolarHBondContact CD-OE1 3.42Å; K171-E173 PolarHBondContact O-N 3.18Å; E173-L270 WeakPolarHBondContact O-CA 3.41Å
174N97.7Very high96.5Very high36 Ų3645.5 Ų45.519%0.19320%0.204CC..G310 helixtrans-115.1-0.9178.4-58.8-42.4000113.3K2 Y3 A170 K171 R172K2-N174 CarbonylContact C-O 3.57Å; K2-N174 HydrophobicContact CD-CB 4.24Å; K2-N174 VanDerWaalsContact CD-OD1 3.29Å; K2-N174 WeakPolarHBondContact CD-OD1 3.37Å; K2-N174 WeakPolarHBondContact CE-OD1 3.35Å; K2-N174 PolarHBondContact NZ-OD1 2.71Å; Y3-N174 PolarHBondContact N-O 3.25Å; A170-N174 HydrophobicContact CB-CB 4.42Å; A170-N174 VanDerWaalsContact O-CB 3.28Å; A170-N174 WeakPolarHBondContact O-CB 3.48Å; A170-N174 PolarHBondContact O-ND2 3.49Å; K171-N174 PolarHBondContact O-N 2.86Å; K171-N174 VanDerWaalsContact O-N 3.13Å; R172-N174 PolarHBondContact O-N 3.25Å
175F98.4Very high96.3Very high6 Ų645 Ų453%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-130.7126-180-174.8-95.4000110.1Y3 L5 F163 F166 Q167 A170 K171 R172 N177 L209 R269Y3-F175 CarbonylContact O-C 3.59Å; Y3-F175 WeakPolarHBondContact O-CA 2.98Å; L5-F175 HydrophobicContact CB-CE2 3.92Å; L5-F175 HydrophobicContact CB-CZ 3.69Å; L5-F175 HydrophobicContact CD2-CE2 4.47Å; L5-F175 HydrophobicContact CD2-CZ 3.76Å; L5-F175 HydrophobicContact CG-CZ 4.37Å; F163-F175 HydrophobicContact CB-CZ 4.45Å; F163-F175 HydrophobicContact CD1-CE2 4.07Å; F163-F175 HydrophobicContact CD1-CZ 4.46Å; F166-F175 AromaticContact CD1-CD2 3.8Å; F166-F175 HydrophobicContact CD1-CD2 3.8Å; F166-F175 AromaticContact CD1-CE2 3.9Å; F166-F175 HydrophobicContact CD1-CE2 3.9Å; F166-F175 HydrophobicContact CE1-CD2 4.1Å; F166-F175 HydrophobicContact CE1-CE2 4.42Å; Q167-F175 HydrophobicContact CB-CD1 3.71Å; Q167-F175 HydrophobicContact CB-CE1 4.04Å; Q167-F175 HydrophobicContact CB-CG 4.11Å; A170-F175 HydrophobicContact CB-CB 4.33Å; K171-F175 PolarHBondContact O-N 3Å; R172-F175 PolarHBondContact O-N 3.29Å; R172-F175 VanDerWaalsContact O-O 3.05Å; F175-N177 HydrophobicContact CE1-CB 4.24Å; F175-L209 HydrophobicContact CE1-CD2 4.3Å; F175-R269 PolarHBondContact O-NH1 2.87Å; F175-R269 PolarHBondContact O-NH2 3.36Å
176C98.4Very high96Very high0 Ų046.2 Ų46.20%022%0.215CC..EExtended strand (participates in β ladder)trans-124.6141175-177.30000109.4Y3 I4 L5 D212 L270Y3-C176 PolarHBondContact O-N 3.32Å; I4-C176 CarbonylContact C-O 3.55Å; I4-C176 WeakPolarHBondContact CA-O 3.38Å; I4-C176 HydrophobicContact CG1-CB 4.36Å; L5-C176 PolarHBondContact N-O 3.42Å; C176-D212 VanDerWaalsContact CA-OD2 3.27Å; C176-D212 WeakPolarHBondContact CA-OD2 3.48Å; C176-L270 HydrophobicContact CB-CD1 3.98Å; C176-L270 HydrophobicContact CB-CD2 3.82Å; C176-L270 HydrophobicContact CB-CG 4.06Å
177N98.3Very high95.8Very high1 Ų152.3 Ų52.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-118.4129.3179.7-176.622.7000111.8L5 F175 S210 D212 L213L5-N177 CarbonylContact O-C 3.58Å; L5-N177 WeakPolarHBondContact O-CA 3.2Å; L5-N177 PolarHBondContact O-OD1 3.06Å; F175-N177 HydrophobicContact CE1-CB 4.24Å; N177-S210 WeakPolarHBondContact CB-O 3.4Å; N177-S210 PolarHBondContact ND2-O 3.28Å; N177-D212 PolarHBondContact N-OD2 3.16Å; N177-D212 WeakPolarHBondContact O-CA 3.5Å; N177-D212 VanDerWaalsContact O-CB 3.31Å; N177-D212 WeakPolarHBondContact O-CB 3.39Å; N177-D212 PolarHBondContact O-N 3.31Å; N177-L213 PolarHBondContact O-N 2.63Å
178I98.5Very high95.6Very high0 Ų055.3 Ų55.30%028%0.284CS..EExtended strand (participates in β ladder)trans-117.4125178.9-56.2-179.3000107.5I4 L5 V6 T7 I23 L213 V215 F266I4-I178 HydrophobicContact CG2-CD1 3.43Å; I4-I178 VanDerWaalsContact CG2-CD1 3.43Å; I4-I178 HydrophobicContact CG2-CG1 3.97Å; L5-I178 PolarHBondContact O-N 3.01Å; V6-I178 CarbonylContact C-O 3.54Å; V6-I178 WeakPolarHBondContact CA-O 3.21Å; V6-I178 HydrophobicContact CG2-CB 4.3Å; V6-I178 HydrophobicContact CG2-CD1 4.43Å; T7-I178 PolarHBondContact N-O 2.88Å; T7-I178 PolarHBondContact OG1-O 3.13Å; I23-I178 HydrophobicContact CD1-CD1 3.26Å; I23-I178 HydrophobicContact CG1-CD1 4.46Å; I178-L213 WeakPolarHBondContact CA-O 3.46Å; I178-L213 HydrophobicContact CD1-CD1 4.35Å; I178-L213 HydrophobicContact CG1-CB 4.26Å; I178-L213 HydrophobicContact CG1-CD1 4.42Å; I178-L213 HydrophobicContact CG2-CB 4.38Å; I178-V215 HydrophobicContact CG2-CG2 3.63Å; I178-F266 HydrophobicContact CD1-CE1 4.12Å; I178-F266 HydrophobicContact CD1-CZ 3.72Å
179H98.3Very high95.3Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-110.2114.3177.6-169.260.3000110.6T7 S200 L204 P211 L213 I214 V215T7-H179 PolarHBondContact OG1-ND1 2.79Å; H179-S200 PolarHBondContact CE1-OG 3.49Å; H179-S200 VanDerWaalsContact CE1-OG 3.31Å; H179-S200 PolarHBondContact NE2-OG 3.43Å; H179-L204 HydrophobicContact CB-CD2 3.98Å; H179-P211 HydrophobicContact CB-CB 3.87Å; H179-L213 PolarHBondContact N-O 3.13Å; H179-I214 WeakPolarHBondContact O-CA 3.43Å; H179-V215 PolarHBondContact O-N 2.98Å
180V98.1Very high95.1Very high1 Ų149 Ų491%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-90.9120.1178.9-170.70000109.1V6 T7 G9 I14 I19 V215V6-V180 HydrophobicContact CG1-CG2 3.74Å; T7-V180 PolarHBondContact O-N 3.05Å; G9-V180 PolarHBondContact N-O 2.7Å; I14-V180 HydrophobicContact CD1-CG1 4.27Å; I14-V180 HydrophobicContact CG1-CG1 4.28Å; I14-V180 HydrophobicContact CG2-CB 4.36Å; I14-V180 HydrophobicContact CG2-CG1 3.85Å; I19-V180 HydrophobicContact CB-CG2 4.25Å; I19-V180 HydrophobicContact CG1-CG1 4.32Å; I19-V180 HydrophobicContact CG1-CG2 4.25Å; I19-V180 HydrophobicContact CG2-CG2 4.12Å; V180-V215 CarbonylContact C-O 3.1Å; V180-V215 WeakPolarHBondContact CA-O 3.41Å; V180-V215 HydrophobicContact CG2-CB 4.31Å
181S97Very high95.1Very high0 Ų053.1 Ų53.10%029%0.292CS..EExtended strand (participates in β ladder)trans-133.4152.5-173.2-164.10000112.3T197 V215 C216 R217S181-T197 VanDerWaalsContact OG-CA 3.26Å; S181-T197 WeakPolarHBondContact OG-CA 3.36Å; S181-T197 WeakPolarHBondContact OG-CB 3.34Å; S181-T197 PolarHBondContact OG-OG1 3.07Å; S181-V215 PolarHBondContact N-O 3.26Å; S181-C216 CarbonylContact O-C 3.43Å; S181-C216 WeakPolarHBondContact O-CA 3.36Å; S181-R217 PolarHBondContact O-N 3.21Å
182L96.7Very high95.2Very high41 Ų4147.6 Ų47.622%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-94.1128.5-179.2-176.170.9000109.4V10 I11 I14 P184 T197V10-L182 HydrophobicContact CB-CB 4.09Å; V10-L182 HydrophobicContact CG2-CB 4.33Å; I11-L182 HydrophobicContact CD1-CD2 3.87Å; I11-L182 HydrophobicContact CG1-CD2 4.23Å; I14-L182 HydrophobicContact CD1-CB 3.67Å; L182-P184 VanDerWaalsContact O-CD 3.26Å; L182-P184 WeakPolarHBondContact O-CD 3.45Å; L182-T197 PolarHBondContact O-OG1 2.96Å
183V96.8Very high95.4Very high1 Ų141.7 Ų41.71%0.00625%0.248CC..  trans-107.391.2168.2-178.30000107.7Q192 C216 R217 C218 L222 V226 I230V183-Q192 HydrophobicContact CG1-CB 4.14Å; V183-C216 HydrophobicContact CG2-CB 3.7Å; V183-R217 PolarHBondContact N-O 2.88Å; V183-C218 HydrophobicContact CB-CB 4.36Å; V183-L222 HydrophobicContact CB-CD2 4.2Å; V183-L222 HydrophobicContact CG1-CD2 3.88Å; V183-L222 HydrophobicContact CG2-CD2 4.45Å; V183-V226 HydrophobicContact CG1-CG1 4.5Å; V183-I230 HydrophobicContact CG2-CD1 4.02Å
184P95.1Very high95.4Very high44 Ų4437.9 Ų37.929%0.28623%0.231SC..  trans-72.3148.5-178.829.2-34.8000111.4L182 K193 P196L182-P184 VanDerWaalsContact O-CD 3.26Å; L182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-K193 WeakPolarHBondContact CD-O 3.45Å; P184-K193 HydrophobicContact CG-CB 4.37Å; P184-K193 PolarHBondContact O-N 3.48Å; P184-P196 HydrophobicContact CG-CG 4.03Å
185Q94.2Very high95.4Very high65 Ų6542 Ų4230%0.30425%0.247SC..  trans-127.387.8173.5-174-179.71500108.1S187 G190 Q192 T220Q185-S187 PolarHBondContact O-N 3.46Å; Q185-G190 PolarHBondContact NE2-O 3.17Å; Q185-Q192 HydrophobicContact CB-CG 4.37Å; Q185-Q192 HydrophobicContact CG-CG 4.23Å; Q185-T220 PolarHBondContact OE1-OG1 3.06Å
186P92.1Very high95.3Very high56 Ų5643.6 Ų43.636%0.36426%0.257SS..  trans-59.5126.8-179.1-2232.9000110.5S188 T189 G190P186-S188 PolarHBondContact O-N 3.26Å; P186-S188 VanDerWaalsContact O-N 3.1Å; P186-T189 PolarHBondContact O-N 3.14Å; P186-T189 PolarHBondContact O-OG1 3.42Å; P186-G190 PolarHBondContact O-N 3.06Å
187S92.3Very high95.2Very high127 Ų12743.6 Ų43.689%0.88826%0.257SS*.THydrogen-bonded Turntrans-57.9-27.3-176.953.60000113.4Q185 T189Q185-S187 PolarHBondContact O-N 3.46Å; S187-T189 VanDerWaalsContact C-N 3.29Å; S187-T189 PolarHBondContact O-N 2.99Å
188S91.6Very high95.2Very high108 Ų10844.4 Ų44.476%0.75526%0.261SS*.THydrogen-bonded Turntrans-66.3-26.3175.2550000114.3P186P186-S188 PolarHBondContact O-N 3.26Å; P186-S188 VanDerWaalsContact O-N 3.1Å
189T90.3Very high95.1Very high83 Ų8347.9 Ų47.951%0.50928%0.28SS..THydrogen-bonded Turntrans-114.8-27.1-176.362.30000113.3P186 S187 E191P186-T189 PolarHBondContact O-N 3.14Å; P186-T189 PolarHBondContact O-OG1 3.42Å; S187-T189 VanDerWaalsContact C-N 3.29Å; S187-T189 PolarHBondContact O-N 2.99Å; T189-E191 PolarHBondContact O-N 2.87Å; T189-E191 VanDerWaalsContact O-N 3.1Å
190G89.2Confident95Very high43 Ų4348.5 Ų48.544%0.44328%0.284SS..  trans67.4-0.1-175.400000114.8Q185 P186Q185-G190 PolarHBondContact NE2-O 3.17Å; P186-G190 PolarHBondContact O-N 3.06Å
191E92.4Very high95Very high99 Ų9948.4 Ų48.446%0.46328%0.284SS..  trans-95.1132.2-176.4-168-165.513500111.2T189 K193T189-E191 PolarHBondContact O-N 2.87Å; T189-E191 VanDerWaalsContact O-N 3.1Å; E191-K193 PolarHBondContact O-N 2.98Å; E191-K193 IonicContact OE1-NZ 2.7Å; E191-K193 PolarHBondContact OE1-NZ 3.34Å; E191-K193 IonicContact OE2-NZ 3.57Å; E191-K193 PolarHBondContact OE2-NZ 3.36Å
192Q95.9Very high95Very high10 Ų1056 Ų565%0.04731%0.312CS..  trans-70.7118.2175.3-66.6177.2-15.800110.5V183 Q185 T220 P221 D223 V226V183-Q192 HydrophobicContact CG1-CB 4.14Å; Q185-Q192 HydrophobicContact CB-CG 4.37Å; Q185-Q192 HydrophobicContact CG-CG 4.23Å; Q192-T220 PolarHBondContact NE2-OG1 3.16Å; Q192-P221 PolarHBondContact NE2-O 2.93Å; Q192-D223 VanDerWaalsContact OE1-N 3.15Å; Q192-V226 HydrophobicContact CB-CG1 4.28Å; Q192-V226 HydrophobicContact CB-CG2 4.03Å
193K96Very high95Very high70 Ų7058 Ų5830%0.30432%0.321SS..  trans-99.4113.9-174.1-61.6-59.4179.6-178.20111.9P184 E191P184-K193 WeakPolarHBondContact CD-O 3.45Å; P184-K193 HydrophobicContact CG-CB 4.37Å; P184-K193 PolarHBondContact O-N 3.48Å; E191-K193 PolarHBondContact O-N 2.98Å; E191-K193 IonicContact OE1-NZ 2.7Å; E191-K193 PolarHBondContact OE1-NZ 3.34Å; E191-K193 IonicContact OE2-NZ 3.57Å; E191-K193 PolarHBondContact OE2-NZ 3.36Å
194T96.6Very high95.1Very high5 Ų558 Ų583%0.03132%0.32CS..  trans-84.5-10.7-179.563.10000114.8T197 Q198 V226 K229 I230T194-T197 WeakPolarHBondContact O-CB 3.38Å; T194-T197 PolarHBondContact O-N 3.43Å; T194-Q198 WeakPolarHBondContact O-CG 3.47Å; T194-Q198 PolarHBondContact O-N 2.97Å; T194-Q198 VanDerWaalsContact O-N 3.13Å; T194-Q198 PolarHBondContact OG1-NE2 3.41Å; T194-Q198 VanDerWaalsContact OG1-NE2 3.08Å; T194-V226 HydrophobicContact CG2-CG1 3.56Å; T194-K229 HydrophobicContact CG2-CD 4.21Å; T194-K229 WeakPolarHBondContact OG1-CE 3.34Å; T194-I230 HydrophobicContact CG2-CD1 3.97Å; T194-I230 HydrophobicContact CG2-CG1 3.63Å
195K97Very high95.2Very high123 Ų12359.5 Ų59.554%0.53532%0.32SS..Hα-helixtrans-60.3-41.4-170.5-158.772.8-174.6168.90113.8T197 Q198 N199K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 3Å; K195-Q198 PolarHBondContact O-N 3.15Å; K195-N199 PolarHBondContact O-N 3.04Å; K195-N199 VanDerWaalsContact O-N 3.14Å
196P96Very high95.3Very high38 Ų3859.7 Ų59.725%0.24734%0.34CS..Hα-helixtrans-58-44.1175.3-26.537.7000112.6V10 P184 Q198 N199 S200V10-P196 HydrophobicContact CB-CB 4.38Å; V10-P196 HydrophobicContact CG1-CB 3.83Å; V10-P196 HydrophobicContact CG2-CB 3.55Å; P184-P196 HydrophobicContact CG-CG 4.03Å; P196-Q198 PolarHBondContact O-N 3Å; P196-N199 PolarHBondContact O-N 2.78Å; P196-S200 WeakPolarHBondContact O-CB 3.5Å; P196-S200 PolarHBondContact O-N 3.03Å
197T97.3Very high95.5Very high0 Ų059.2 Ų59.20%033%0.334CS..Hα-helixtrans-60.7-43176-53.10000112.7S181 L182 T194 K195 N199 S200 V201 I214 I230S181-T197 VanDerWaalsContact OG-CA 3.26Å; S181-T197 WeakPolarHBondContact OG-CA 3.36Å; S181-T197 WeakPolarHBondContact OG-CB 3.34Å; S181-T197 PolarHBondContact OG-OG1 3.07Å; L182-T197 PolarHBondContact O-OG1 2.96Å; T194-T197 WeakPolarHBondContact O-CB 3.38Å; T194-T197 PolarHBondContact O-N 3.43Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 3Å; T197-N199 PolarHBondContact O-N 3.08Å; T197-S200 PolarHBondContact O-N 3.18Å; T197-V201 HydrophobicContact CG2-CG2 4.47Å; T197-V201 WeakPolarHBondContact O-CG2 3.16Å; T197-V201 PolarHBondContact O-N 3.14Å; T197-I214 HydrophobicContact CG2-CG2 4.02Å; T197-I230 HydrophobicContact CG2-CG2 4.29Å
198Q97.4Very high95.7Very high19 Ų1954.7 Ų54.79%0.08931%0.307CS..Hα-helixtrans-59.8-45.5177.9-64.8173.85.300112.1T194 K195 P196 R202 F233T194-Q198 WeakPolarHBondContact O-CG 3.47Å; T194-Q198 PolarHBondContact O-N 2.97Å; T194-Q198 VanDerWaalsContact O-N 3.13Å; T194-Q198 PolarHBondContact OG1-NE2 3.41Å; T194-Q198 VanDerWaalsContact OG1-NE2 3.08Å; K195-Q198 PolarHBondContact O-N 3.15Å; P196-Q198 PolarHBondContact O-N 3Å; Q198-R202 WeakPolarHBondContact O-CB 3.35Å; Q198-R202 PolarHBondContact O-N 3.1Å; Q198-F233 HydrophobicContact CG-CB 3.74Å; Q198-F233 HydrophobicContact CG-CG 4.23Å
199N96.9Very high96Very high72 Ų7249.5 Ų49.539%0.38527%0.271SS..Hα-helixtrans-67.4-42.3179.5-71.5-15.6000111.5K195 P196 T197 V201 R202 E203K195-N199 PolarHBondContact O-N 3.04Å; K195-N199 VanDerWaalsContact O-N 3.14Å; P196-N199 PolarHBondContact O-N 2.78Å; T197-N199 PolarHBondContact O-N 3.08Å; N199-V201 PolarHBondContact O-N 3.33Å; N199-R202 WeakPolarHBondContact O-CB 3.14Å; N199-R202 PolarHBondContact O-N 2.9Å; N199-E203 PolarHBondContact O-N 3.21Å
200S96.6Very high96.3Very high13 Ų1349.1 Ų49.19%0.09127%0.272CS..Hα-helixtrans-60.6-44.4177.8-167.80000112.2G9 H179 P196 T197 R202 E203 L204G9-S200 WeakPolarHBondContact CA-OG 3.41Å; H179-S200 PolarHBondContact CE1-OG 3.49Å; H179-S200 VanDerWaalsContact CE1-OG 3.31Å; H179-S200 PolarHBondContact NE2-OG 3.43Å; P196-S200 WeakPolarHBondContact O-CB 3.5Å; P196-S200 PolarHBondContact O-N 3.03Å; T197-S200 PolarHBondContact O-N 3.18Å; S200-R202 VanDerWaalsContact C-N 3.35Å; S200-R202 PolarHBondContact O-N 2.94Å; S200-E203 PolarHBondContact O-N 3.1Å; S200-L204 PolarHBondContact O-N 3.25Å
201V97.8Very high96.7Very high0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-68.2-35.3176.41720000111.7T197 N199 E203 R205 P211 I214 C234T197-V201 HydrophobicContact CG2-CG2 4.47Å; T197-V201 WeakPolarHBondContact O-CG2 3.16Å; T197-V201 PolarHBondContact O-N 3.14Å; N199-V201 PolarHBondContact O-N 3.33Å; V201-E203 VanDerWaalsContact C-N 3.33Å; V201-R205 HydrophobicContact CG1-CG 4.42Å; V201-R205 WeakPolarHBondContact O-CB 3.38Å; V201-R205 WeakPolarHBondContact O-CG 3.46Å; V201-R205 PolarHBondContact O-N 3.45Å; V201-P211 HydrophobicContact CG1-CG 3.97Å; V201-P211 HydrophobicContact CG2-CG 4.44Å; V201-I214 HydrophobicContact CG2-CD1 4.14Å; V201-C234 HydrophobicContact CB-CB 4.37Å; V201-C234 HydrophobicContact CG1-CB 3.94Å; V201-C234 HydrophobicContact CG2-CB 4.28Å
202R97.4Very high97Very high159 Ų15944 Ų4460%0.624%0.238SC*.Hα-helixtrans-61.4-43.4173.8-174.4-176.468.3178.41.2111.2Q198 N199 S200 R205 G206Q198-R202 WeakPolarHBondContact O-CB 3.35Å; Q198-R202 PolarHBondContact O-N 3.1Å; N199-R202 WeakPolarHBondContact O-CB 3.14Å; N199-R202 PolarHBondContact O-N 2.9Å; S200-R202 VanDerWaalsContact C-N 3.35Å; S200-R202 PolarHBondContact O-N 2.94Å; R202-R205 PolarHBondContact O-N 3.39Å; R202-G206 PolarHBondContact O-N 2.91Å
203E96.7Very high97.1Very high83 Ų8343.6 Ų43.639%0.38824%0.236SC..Hα-helixtrans-62.9-50.9177.5-169.262.4-160.200111.3V151 N199 S200 V201 R205 G206 L207V151-E203 HydrophobicContact CG1-CB 4.34Å; V151-E203 HydrophobicContact CG1-CG 4.02Å; N199-E203 PolarHBondContact O-N 3.21Å; S200-E203 PolarHBondContact O-N 3.1Å; V201-E203 VanDerWaalsContact C-N 3.33Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-R205 PolarHBondContact O-N 3.37Å; E203-G206 WeakPolarHBondContact O-CA 3.49Å; E203-G206 PolarHBondContact O-N 2.74Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 3.19Å
204L97.4Very high97.2Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-55.3-43.7177.7-176.365.2000112.3T7 V151 H179 S200 L207 G208 L209 P211T7-L204 HydrophobicContact CG2-CD1 4.49Å; V151-L204 HydrophobicContact CG1-CB 4.16Å; V151-L204 HydrophobicContact CG1-CD1 4.25Å; V151-L204 HydrophobicContact CG2-CD1 3.96Å; H179-L204 HydrophobicContact CB-CD2 3.98Å; S200-L204 PolarHBondContact O-N 3.25Å; L204-L207 PolarHBondContact O-N 3.37Å; L204-G208 PolarHBondContact O-N 2.87Å; L204-L209 CarbonylContact C-O 3.45Å; L204-L209 VanDerWaalsContact C-O 3.28Å; L204-L209 HydrophobicContact CD1-CB 3.78Å; L204-L209 HydrophobicContact CD1-CD1 4.08Å; L204-L209 HydrophobicContact CG-CB 4Å; L204-L209 PolarHBondContact O-N 2.87Å; L204-L209 VanDerWaalsContact O-O 3.08Å; L204-P211 HydrophobicContact CD2-CB 4.49Å
205R97.3Very high97.3Very high76 Ų7640.2 Ų40.229%0.28722%0.221SC..Hα-helixtrans-67.4-37.3175.5-73.1-168.3-59.2-172.71.3112.8V201 R202 E203 L207 G208 L209 C234 H235V201-R205 HydrophobicContact CG1-CG 4.42Å; V201-R205 WeakPolarHBondContact O-CB 3.38Å; V201-R205 WeakPolarHBondContact O-CG 3.46Å; V201-R205 PolarHBondContact O-N 3.45Å; R202-R205 PolarHBondContact O-N 3.39Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-R205 PolarHBondContact O-N 3.37Å; R205-L207 PolarHBondContact O-N 2.92Å; R205-G208 WeakPolarHBondContact O-CA 3.43Å; R205-G208 PolarHBondContact O-N 3.41Å; R205-L209 VanDerWaalsContact CA-O 3.24Å; R205-L209 WeakPolarHBondContact CA-O 3.18Å; R205-L209 PolarHBondContact N-O 3.48Å; R205-C234 PolarHBondContact NH1-O 3.15Å; R205-H235 PolarHBondContact NH1-CE1 3.44Å; R205-H235 PolarHBondContact NH1-ND1 3.41Å
206G97.3Very high97.3Very high69 Ų6934.4 Ų34.471%0.71120%0.196SC*.Hα-helixtrans-59.4-31.9173.900000112.6R202 E203 G208R202-G206 PolarHBondContact O-N 2.91Å; E203-G206 WeakPolarHBondContact O-CA 3.49Å; E203-G206 PolarHBondContact O-N 2.74Å; G206-G208 VanDerWaalsContact C-N 3.3Å
207L96.8Very high97.3Very high47 Ų4736.7 Ų36.725%0.24620%0.2CC..THydrogen-bonded Turntrans-851.2174.2-58.3172.2000113.6V151 I160 R164 E203 L204 R205V151-L207 HydrophobicContact CG1-CD1 3.98Å; I160-L207 HydrophobicContact CB-CD1 4.48Å; I160-L207 HydrophobicContact CD1-CD1 3.6Å; I160-L207 HydrophobicContact CG2-CB 3.54Å; I160-L207 HydrophobicContact CG2-CD1 3.97Å; I160-L207 HydrophobicContact CG2-CG 4.35Å; R164-L207 WeakPolarHBondContact CD-O 3.34Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 3.19Å; L204-L207 PolarHBondContact O-N 3.37Å; R205-L207 PolarHBondContact O-N 2.92Å
208G96.3Very high97.2Very high31 Ų3137 Ų3732%0.3220%0.201SC..THydrogen-bonded Turntrans89.514.1171.400000116Q167 L204 R205 G206Q167-G208 PolarHBondContact NE2-O 3.13Å; Q167-G208 VanDerWaalsContact NE2-O 3.11Å; L204-G208 PolarHBondContact O-N 2.87Å; R205-G208 WeakPolarHBondContact O-CA 3.43Å; R205-G208 PolarHBondContact O-N 3.41Å; G206-G208 VanDerWaalsContact C-N 3.3Å
209L96.9Very high97Very high0 Ų039.6 Ų39.60%022%0.222CC..  trans-108.7134.7169.9-69.5178.2000110.3L5 I160 F163 F175 L204 R205L5-L209 HydrophobicContact CD2-CD1 3.9Å; I160-L209 HydrophobicContact CG2-CD1 3.92Å; I160-L209 HydrophobicContact CG2-CG 4.39Å; F163-L209 HydrophobicContact CB-CD1 4.25Å; F163-L209 HydrophobicContact CB-CD2 4.46Å; F175-L209 HydrophobicContact CE1-CD2 4.3Å; L204-L209 CarbonylContact C-O 3.45Å; L204-L209 VanDerWaalsContact C-O 3.28Å; L204-L209 HydrophobicContact CD1-CB 3.78Å; L204-L209 HydrophobicContact CD1-CD1 4.08Å; L204-L209 HydrophobicContact CG-CB 4Å; L204-L209 PolarHBondContact O-N 2.87Å; L204-L209 VanDerWaalsContact O-O 3.08Å; R205-L209 VanDerWaalsContact CA-O 3.24Å; R205-L209 WeakPolarHBondContact CA-O 3.18Å; R205-L209 PolarHBondContact N-O 3.48Å
210S96.4Very high96.9Very high75 Ų7538.7 Ų38.752%0.52422%0.219SC..  trans-108.1134.4173.4-63.10000109.6N177N177-S210 WeakPolarHBondContact CB-O 3.4Å; N177-S210 PolarHBondContact ND2-O 3.28Å
211P97.8Very high96.8Very high10 Ų1042 Ų427%0.06524%0.24CC..  trans-72.1133.1175.529.5-32.6000110.4H179 V201 L204 I214H179-P211 HydrophobicContact CB-CB 3.87Å; V201-P211 HydrophobicContact CG1-CG 3.97Å; V201-P211 HydrophobicContact CG2-CG 4.44Å; L204-P211 HydrophobicContact CD2-CB 4.49Å; P211-I214 HydrophobicContact CB-CG1 4.03Å; P211-I214 HydrophobicContact CG-CD1 4.25Å; P211-I214 HydrophobicContact CG-CG1 4.11Å
212D98.3Very high96.7Very high23 Ų2342.8 Ų42.812%0.12324%0.244CC..SBendtrans-85.8-37169-72.8-64.8000110.8C176 N177 Q240 Y265 R269C176-D212 VanDerWaalsContact CA-OD2 3.27Å; C176-D212 WeakPolarHBondContact CA-OD2 3.48Å; N177-D212 PolarHBondContact N-OD2 3.16Å; N177-D212 WeakPolarHBondContact O-CA 3.5Å; N177-D212 VanDerWaalsContact O-CB 3.31Å; N177-D212 WeakPolarHBondContact O-CB 3.39Å; N177-D212 PolarHBondContact O-N 3.31Å; D212-Q240 PolarHBondContact O-NE2 3.4Å; D212-Y265 HydrophobicContact CB-CE1 4.25Å; D212-Y265 VanDerWaalsContact CB-OH 3.31Å; D212-Y265 WeakPolarHBondContact CB-OH 3.26Å; D212-Y265 PolarHBondContact O-OH 3.4Å; D212-R269 IonicContact OD1-CZ 2.77Å; D212-R269 IonicContact OD1-NE 3.53Å; D212-R269 PolarHBondContact OD1-NE 2.71Å; D212-R269 IonicContact OD1-NH2 3.27Å; D212-R269 PolarHBondContact OD1-NH2 2.86Å; D212-R269 VanDerWaalsContact OD1-NH2 3.08Å; D212-R269 IonicContact OD2-CZ 3.45Å; D212-R269 IonicContact OD2-NE 3.28Å; D212-R269 IonicContact OD2-NH2 2.88Å; D212-R269 PolarHBondContact OD2-NH2 2.72Å
213L98.4Very high96.7Very high3 Ų339.7 Ų39.72%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-127143.6170.7-66.5176000110.1N177 I178 H179 Q240 I242 V262 Y265 F266N177-L213 PolarHBondContact O-N 2.63Å; I178-L213 WeakPolarHBondContact CA-O 3.46Å; I178-L213 HydrophobicContact CD1-CD1 4.35Å; I178-L213 HydrophobicContact CG1-CB 4.26Å; I178-L213 HydrophobicContact CG1-CD1 4.42Å; I178-L213 HydrophobicContact CG2-CB 4.38Å; H179-L213 PolarHBondContact N-O 3.13Å; L213-Q240 HydrophobicContact CD2-CB 3.95Å; L213-Q240 HydrophobicContact CD2-CG 4.13Å; L213-I242 HydrophobicContact CD2-CG1 4.45Å; L213-V262 HydrophobicContact CD1-CG1 4.44Å; L213-Y265 HydrophobicContact CD1-CD1 3.75Å; L213-Y265 HydrophobicContact CD1-CE1 4.03Å; L213-Y265 HydrophobicContact CD2-CD1 3.67Å; L213-Y265 HydrophobicContact CD2-CD2 4.16Å; L213-Y265 HydrophobicContact CD2-CE1 3.68Å; L213-Y265 HydrophobicContact CD2-CE2 4.2Å; L213-Y265 HydrophobicContact CD2-CG 3.9Å; L213-Y265 HydrophobicContact CG-CD1 3.74Å; L213-Y265 HydrophobicContact CG-CE1 3.57Å; L213-Y265 HydrophobicContact CG-CG 4.48Å; L213-F266 HydrophobicContact CD1-CE1 4.04Å; L213-F266 HydrophobicContact CD1-CZ 3.98Å
214I98.4Very high96.6Very high0 Ų040.6 Ų40.60%025%0.251CS..EExtended strand (participates in β ladder)trans-115.3113.2172.3-56.2177.6000107.6H179 T197 V201 P211 I230 C234 V236 Q240 I242H179-I214 WeakPolarHBondContact O-CA 3.43Å; T197-I214 HydrophobicContact CG2-CG2 4.02Å; V201-I214 HydrophobicContact CG2-CD1 4.14Å; P211-I214 HydrophobicContact CB-CG1 4.03Å; P211-I214 HydrophobicContact CG-CD1 4.25Å; P211-I214 HydrophobicContact CG-CG1 4.11Å; I214-I230 HydrophobicContact CD1-CG2 4.27Å; I214-I230 HydrophobicContact CG2-CG2 4.34Å; I214-C234 HydrophobicContact CD1-CB 3.31Å; I214-V236 HydrophobicContact CD1-CG1 4.09Å; I214-V236 HydrophobicContact CD1-CG2 3.6Å; I214-V236 HydrophobicContact CG1-CG1 4.43Å; I214-V236 HydrophobicContact CG1-CG2 4.2Å; I214-Q240 PolarHBondContact N-O 2.71Å; I214-I242 PolarHBondContact O-N 3.22Å
215V98.2Very high96.6Very high4 Ų444.2 Ų44.22%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-97.9110.3178.2-178.80000108.2I19 I178 H179 V180 S181 I242 V244I19-V215 HydrophobicContact CD1-CG1 3.83Å; I19-V215 HydrophobicContact CG1-CG1 4.07Å; I19-V215 HydrophobicContact CG2-CG1 4.36Å; I19-V215 HydrophobicContact CG2-CG2 4.19Å; I178-V215 HydrophobicContact CG2-CG2 3.63Å; H179-V215 PolarHBondContact O-N 2.98Å; V180-V215 CarbonylContact C-O 3.1Å; V180-V215 WeakPolarHBondContact CA-O 3.41Å; V180-V215 HydrophobicContact CG2-CB 4.31Å; S181-V215 PolarHBondContact N-O 3.26Å; V215-I242 HydrophobicContact CG2-CB 4.25Å; V215-V244 HydrophobicContact CG1-CB 4.3Å; V215-V244 HydrophobicContact CG1-CG2 3.56Å
216C97.6Very high96.6Very high0 Ų041.2 Ų41.20%027%0.266CS..EExtended strand (participates in β ladder)trans-94.4105.7-178.3-67.60000110.4S181 V183 L222 I230 I242 V244S181-C216 CarbonylContact O-C 3.43Å; S181-C216 WeakPolarHBondContact O-CA 3.36Å; V183-C216 HydrophobicContact CG2-CB 3.7Å; C216-L222 HydrophobicContact CB-CD1 3.63Å; C216-I230 VanDerWaalsContact SG-CD1 3.59Å; C216-I242 PolarHBondContact N-O 2.9Å; C216-V244 PolarHBondContact O-N 3.34Å
217R96.4Very high96.6Very high87 Ų8740.5 Ų40.533%0.32824%0.244SC..EExtended strand (participates in β ladder)trans-76.9129.6168.9-173.4167.2177.4-160.7-3.5110.2G13 I14 S181 V183 V244G13-R217 PolarHBondContact O-NH1 3.41Å; I14-R217 HydrophobicContact CD1-CB 4.27Å; I14-R217 HydrophobicContact CG1-CB 3.93Å; I14-R217 HydrophobicContact CG1-CG 4.46Å; I14-R217 WeakPolarHBondContact O-CD 3.47Å; I14-R217 PolarHBondContact O-NH1 3.49Å; S181-R217 PolarHBondContact O-N 3.21Å; V183-R217 PolarHBondContact N-O 2.88Å; R217-V244 VanDerWaalsContact CA-O 3.29Å; R217-V244 WeakPolarHBondContact CA-O 3.39Å
218C94.3Very high96.6Very high5 Ų543.5 Ų43.53%0.03426%0.256CS..EExtended strand (participates in β ladder)trans-149.8166.2-175.144.20000110.5V183 T220 L222 V244 H245 D246V183-C218 HydrophobicContact CB-CB 4.36Å; C218-T220 PolarHBondContact SG-O 3.24Å; C218-L222 HydrophobicContact CB-CD2 4.11Å; C218-V244 PolarHBondContact N-O 2.92Å; C218-H245 CarbonylContact O-C 3.51Å; C218-H245 WeakPolarHBondContact O-CA 3.36Å; C218-D246 PolarHBondContact O-N 3.25Å
219S93.1Very high96.7Very high74 Ų7446.1 Ų46.152%0.51726%0.259SS..SBendtrans-86.6-31.5176.2-63.10000113.1D246S219-D246 VanDerWaalsContact CA-OD2 3.32Å; S219-D246 WeakPolarHBondContact CA-OD2 3.47Å; S219-D246 WeakPolarHBondContact CB-OD2 3.49Å; S219-D246 PolarHBondContact OG-OD2 2.85Å
220T94.6Very high96.7Very high54 Ų5446.1 Ų46.133%0.33126%0.259SS..SBendtrans-120.5155.8176.958.20000110.1Q185 Q192 C218 L222Q185-T220 PolarHBondContact OE1-OG1 3.06Å; Q192-T220 PolarHBondContact NE2-OG1 3.16Å; C218-T220 PolarHBondContact SG-O 3.24Å; T220-L222 PolarHBondContact O-N 2.94Å
221P96.1Very high96.8Very high82 Ų8243.3 Ų43.353%0.53224%0.24SC..PPolyproline II helixtrans-52.7139.7173.7-26.735.3000112.1Q192Q192-P221 PolarHBondContact NE2-O 2.93Å
222L95.4Very high96.7Very high16 Ų1648.9 Ų48.98%0.08427%0.266CS..PPolyproline II helixtrans-69.7135.2-179.5-67.6-176.9000112.1V183 C216 C218 T220 V226 K227 I230 V241 C243V183-L222 HydrophobicContact CB-CD2 4.2Å; V183-L222 HydrophobicContact CG1-CD2 3.88Å; V183-L222 HydrophobicContact CG2-CD2 4.45Å; C216-L222 HydrophobicContact CB-CD1 3.63Å; C218-L222 HydrophobicContact CB-CD2 4.11Å; T220-L222 PolarHBondContact O-N 2.94Å; L222-V226 HydrophobicContact CD2-CG1 3.98Å; L222-K227 HydrophobicContact CB-CG 3.95Å; L222-K227 HydrophobicContact CD1-CG 4.12Å; L222-I230 HydrophobicContact CD1-CD1 4.48Å; L222-V241 HydrophobicContact CD1-CG1 4.48Å; L222-C243 HydrophobicContact CB-CB 4.27Å; L222-C243 HydrophobicContact CD1-CB 4.14Å; L222-C243 HydrophobicContact CG-CB 4.07Å; L222-C243 PolarHBondContact N-SG 3.45Å
223D96.2Very high96.7Very high95 Ų9552.1 Ų52.151%0.50828%0.279SS..PPolyproline II helixtrans-65.3148.4169.2-66.6-35.1000110.9Q192 S225 V226 K227Q192-D223 VanDerWaalsContact OE1-N 3.15Å; D223-S225 VanDerWaalsContact C-N 3.26Å; D223-S225 PolarHBondContact O-N 3.44Å; D223-V226 HydrophobicContact CB-CB 4.31Å; D223-V226 HydrophobicContact CB-CG2 3.97Å; D223-V226 WeakPolarHBondContact O-CB 3.24Å; D223-V226 PolarHBondContact O-N 3.06Å; D223-K227 PolarHBondContact O-N 3.25Å
224T96Very high96.7Very high102 Ų10252.1 Ų52.163%0.62628%0.279SS*.Hα-helixtrans-57-41177.8-52.70000111.8V226 K227 E228T224-V226 VanDerWaalsContact C-N 3.26Å; T224-V226 PolarHBondContact O-N 3.45Å; T224-K227 WeakPolarHBondContact O-CB 3.5Å; T224-K227 PolarHBondContact O-N 2.92Å; T224-E228 WeakPolarHBondContact O-CG 3.49Å; T224-E228 PolarHBondContact O-N 3.28Å
225S96.7Very high96.6Very high75 Ų7558.9 Ų58.952%0.52431%0.311SS..Hα-helixtrans-63.2-32.4177.462.20000112.8D223 K229D223-S225 VanDerWaalsContact C-N 3.26Å; D223-S225 PolarHBondContact O-N 3.44Å; S225-K229 VanDerWaalsContact O-CB 3.26Å; S225-K229 WeakPolarHBondContact O-CB 3.13Å; S225-K229 PolarHBondContact O-N 3.16Å
226V97.1Very high96.5Very high13 Ų1359.3 Ų59.38%0.07931%0.313CS..Hα-helixtrans-72.2-42.2176.61740000109.9V183 Q192 T194 L222 D223 T224 K229 I230V183-V226 HydrophobicContact CG1-CG1 4.5Å; Q192-V226 HydrophobicContact CB-CG1 4.28Å; Q192-V226 HydrophobicContact CB-CG2 4.03Å; T194-V226 HydrophobicContact CG2-CG1 3.56Å; L222-V226 HydrophobicContact CD2-CG1 3.98Å; D223-V226 HydrophobicContact CB-CB 4.31Å; D223-V226 HydrophobicContact CB-CG2 3.97Å; D223-V226 WeakPolarHBondContact O-CB 3.24Å; D223-V226 PolarHBondContact O-N 3.06Å; T224-V226 VanDerWaalsContact C-N 3.26Å; T224-V226 PolarHBondContact O-N 3.45Å; V226-K229 PolarHBondContact O-N 2.95Å; V226-I230 HydrophobicContact CG1-CD1 4.26Å; V226-I230 WeakPolarHBondContact O-CG1 2.98Å; V226-I230 PolarHBondContact O-N 3.33Å
227K96.9Very high96.5Very high55 Ų5565.2 Ų65.224%0.23934%0.341CS..Hα-helixtrans-61.1-48.5173.6-69.2-169.9174.4-164.90112.2L222 D223 T224 K229 I230 S231 V241L222-K227 HydrophobicContact CB-CG 3.95Å; L222-K227 HydrophobicContact CD1-CG 4.12Å; D223-K227 PolarHBondContact O-N 3.25Å; T224-K227 WeakPolarHBondContact O-CB 3.5Å; T224-K227 PolarHBondContact O-N 2.92Å; K227-K229 VanDerWaalsContact C-N 3.29Å; K227-K229 PolarHBondContact O-N 3.23Å; K227-I230 PolarHBondContact O-N 3.24Å; K227-I230 VanDerWaalsContact O-N 3.17Å; K227-S231 WeakPolarHBondContact O-CB 3.49Å; K227-S231 PolarHBondContact O-N 3.19Å; K227-V241 HydrophobicContact CB-CG1 4.36Å; K227-V241 HydrophobicContact CG-CG1 4.2Å
228E97.5Very high96.5Very high109 Ų10963.3 Ų63.351%0.50934%0.34SS..Hα-helixtrans-58.7-41.4176.4-73172.1-178.600111.8T224 S231 M232T224-E228 WeakPolarHBondContact O-CG 3.49Å; T224-E228 PolarHBondContact O-N 3.28Å; E228-S231 WeakPolarHBondContact O-CB 3.36Å; E228-S231 PolarHBondContact O-N 3.34Å; E228-M232 WeakPolarHBondContact O-CB 3.45Å; E228-M232 PolarHBondContact O-N 3.39Å
229K97.3Very high96.6Very high87 Ų8769.9 Ų69.938%0.37837%0.37SS..Hα-helixtrans-62.4-46.3175.6-172.5175.2-176.8176.30111.4T194 S225 V226 K227 M232 F233T194-K229 HydrophobicContact CG2-CD 4.21Å; T194-K229 WeakPolarHBondContact OG1-CE 3.34Å; S225-K229 VanDerWaalsContact O-CB 3.26Å; S225-K229 WeakPolarHBondContact O-CB 3.13Å; S225-K229 PolarHBondContact O-N 3.16Å; V226-K229 PolarHBondContact O-N 2.95Å; K227-K229 VanDerWaalsContact C-N 3.29Å; K227-K229 PolarHBondContact O-N 3.23Å; K229-M232 PolarHBondContact O-N 3.12Å; K229-F233 HydrophobicContact CG-CD2 3.66Å; K229-F233 HydrophobicContact CG-CE2 3.73Å; K229-F233 WeakPolarHBondContact O-CD2 3.46Å; K229-F233 PolarHBondContact O-N 3.22Å
230I97.9Very high96.9Very high0 Ų067.9 Ų67.90%035%0.353CS..Hα-helixtrans-62.1-47.4177.4-67.9171.5000110.1V183 T194 T197 I214 C216 L222 V226 K227 M232 F233 C234 V241V183-I230 HydrophobicContact CG2-CD1 4.02Å; T194-I230 HydrophobicContact CG2-CD1 3.97Å; T194-I230 HydrophobicContact CG2-CG1 3.63Å; T197-I230 HydrophobicContact CG2-CG2 4.29Å; I214-I230 HydrophobicContact CD1-CG2 4.27Å; I214-I230 HydrophobicContact CG2-CG2 4.34Å; C216-I230 VanDerWaalsContact SG-CD1 3.59Å; L222-I230 HydrophobicContact CD1-CD1 4.48Å; V226-I230 HydrophobicContact CG1-CD1 4.26Å; V226-I230 WeakPolarHBondContact O-CG1 2.98Å; V226-I230 PolarHBondContact O-N 3.33Å; K227-I230 PolarHBondContact O-N 3.24Å; K227-I230 VanDerWaalsContact O-N 3.17Å; I230-M232 PolarHBondContact O-N 3.11Å; I230-F233 PolarHBondContact O-N 3.03Å; I230-C234 HydrophobicContact CG2-CB 4.48Å; I230-C234 WeakPolarHBondContact O-CB 3.4Å; I230-C234 PolarHBondContact O-N 2.96Å; I230-C234 PolarHBondContact O-SG 3.16Å; I230-V241 HydrophobicContact CB-CG1 4.18Å; I230-V241 HydrophobicContact CB-CG2 4.3Å; I230-V241 HydrophobicContact CD1-CG1 4.31Å; I230-V241 HydrophobicContact CG2-CG1 3.98Å; I230-V241 HydrophobicContact CG2-CG2 3.89Å
231S97.6Very high97Very high16 Ų1665.4 Ų65.411%0.11234%0.337CS..Hα-helixtrans-50.4-55.8174.91600000111.7K227 E228 F233 C234 H235 V236K227-S231 WeakPolarHBondContact O-CB 3.49Å; K227-S231 PolarHBondContact O-N 3.19Å; E228-S231 WeakPolarHBondContact O-CB 3.36Å; E228-S231 PolarHBondContact O-N 3.34Å; S231-F233 PolarHBondContact O-N 3.26Å; S231-C234 PolarHBondContact O-N 3.03Å; S231-H235 WeakPolarHBondContact O-CA 3.46Å; S231-H235 PolarHBondContact O-N 2.91Å; S231-V236 CarbonylContact C-O 3.46Å; S231-V236 VanDerWaalsContact CA-O 3.24Å; S231-V236 WeakPolarHBondContact CA-O 3.35Å; S231-V236 WeakPolarHBondContact CB-O 3.49Å; S231-V236 PolarHBondContact O-N 2.78Å; S231-V236 PolarHBondContact OG-O 2.86Å
232M97.6Very high97.1Very high126 Ų12661.7 Ų61.762%0.62131%0.313SS*.Hα-helixtrans-61.2-43.3-178.5-175.7-177.866.200113E228 K229 I230 H235E228-M232 WeakPolarHBondContact O-CB 3.45Å; E228-M232 PolarHBondContact O-N 3.39Å; K229-M232 PolarHBondContact O-N 3.12Å; I230-M232 PolarHBondContact O-N 3.11Å; M232-H235 PolarHBondContact O-CD2 3.02Å
233F97.3Very high97.2Very high92 Ų9261.2 Ų61.240%0.40431%0.311SS..Hα-helixtrans-81.7-26.9-176.3-78.9-72.7000113.8Q198 K229 I230 S231Q198-F233 HydrophobicContact CG-CB 3.74Å; Q198-F233 HydrophobicContact CG-CG 4.23Å; K229-F233 HydrophobicContact CG-CD2 3.66Å; K229-F233 HydrophobicContact CG-CE2 3.73Å; K229-F233 WeakPolarHBondContact O-CD2 3.46Å; K229-F233 PolarHBondContact O-N 3.22Å; I230-F233 PolarHBondContact O-N 3.03Å; S231-F233 PolarHBondContact O-N 3.26Å
234C97.6Very high97.2Very high2 Ų257.2 Ų57.21%0.01429%0.29CS..Hα-helixtrans-96.4-7.5-178.6-63.90000113V201 R205 I214 I230 S231V201-C234 HydrophobicContact CB-CB 4.37Å; V201-C234 HydrophobicContact CG1-CB 3.94Å; V201-C234 HydrophobicContact CG2-CB 4.28Å; R205-C234 PolarHBondContact NH1-O 3.15Å; I214-C234 HydrophobicContact CD1-CB 3.31Å; I230-C234 HydrophobicContact CG2-CB 4.48Å; I230-C234 WeakPolarHBondContact O-CB 3.4Å; I230-C234 PolarHBondContact O-N 2.96Å; I230-C234 PolarHBondContact O-SG 3.16Å; S231-C234 PolarHBondContact O-N 3.03Å
235H96.8Very high97.2Very high143 Ų14354.8 Ų54.866%0.66227%0.272SS*.THydrogen-bonded Turntrans62.449.2178.9-52.5-178.2000112.5R205 S231 M232R205-H235 PolarHBondContact NH1-CE1 3.44Å; R205-H235 PolarHBondContact NH1-ND1 3.41Å; S231-H235 WeakPolarHBondContact O-CA 3.46Å; S231-H235 PolarHBondContact O-N 2.91Å; M232-H235 PolarHBondContact O-CD2 3.02Å
236V97.4Very high97Very high13 Ų1355.3 Ų55.38%0.07927%0.268CS..SBendtrans-129.7155.9170.8-61.10000108.6I214 S231 Q240 V241I214-V236 HydrophobicContact CD1-CG1 4.09Å; I214-V236 HydrophobicContact CD1-CG2 3.6Å; I214-V236 HydrophobicContact CG1-CG1 4.43Å; I214-V236 HydrophobicContact CG1-CG2 4.2Å; S231-V236 CarbonylContact C-O 3.46Å; S231-V236 VanDerWaalsContact CA-O 3.24Å; S231-V236 WeakPolarHBondContact CA-O 3.35Å; S231-V236 WeakPolarHBondContact CB-O 3.49Å; S231-V236 PolarHBondContact O-N 2.78Å; S231-V236 PolarHBondContact OG-O 2.86Å; V236-Q240 HydrophobicContact CB-CB 4.1Å; V236-Q240 HydrophobicContact CG2-CB 4.34Å; V236-V241 HydrophobicContact CG2-CG2 3.93Å
237E97.3Very high96.8Very high123 Ų12356.9 Ų56.958%0.57528%0.278SS*.  trans-64.5152.4173.1-60.4-60.7156.600111.3E239 Q240E237-E239 PolarHBondContact O-N 3.27Å; E237-Q240 HydrophobicContact CB-CG 4.37Å; E237-Q240 VanDerWaalsContact CB-OE1 3.28Å; E237-Q240 WeakPolarHBondContact O-CB 3.25Å; E237-Q240 PolarHBondContact O-N 3.29Å
238P96.6Very high96.4Very high48 Ų4857.6 Ų57.631%0.31229%0.29SS..G310 helixtrans-55.5-34.9179.4-26.536000114Q240 V241P238-Q240 PolarHBondContact O-N 2.91Å; P238-V241 PolarHBondContact O-N 3.42Å; P238-V241 VanDerWaalsContact O-N 3.16Å
239E96.1Very high96Very high143 Ų14352.9 Ų52.967%0.66827%0.269SS*.G310 helixtrans-67.1-20.9179-61.974.4-162.300112.6E237 V241E237-E239 PolarHBondContact O-N 3.27Å; E239-V241 VanDerWaalsContact C-N 3.3Å
240Q98Very high95.7Very high32 Ų3250.7 Ų50.715%0.1526%0.261CS..G310 helixtrans-85.3-4.2178.3-63.3168.4-62.300112.6D212 L213 I214 V236 E237 P238 Y265D212-Q240 PolarHBondContact O-NE2 3.4Å; L213-Q240 HydrophobicContact CD2-CB 3.95Å; L213-Q240 HydrophobicContact CD2-CG 4.13Å; I214-Q240 PolarHBondContact N-O 2.71Å; V236-Q240 HydrophobicContact CB-CB 4.1Å; V236-Q240 HydrophobicContact CG2-CB 4.34Å; E237-Q240 HydrophobicContact CB-CG 4.37Å; E237-Q240 VanDerWaalsContact CB-OE1 3.28Å; E237-Q240 WeakPolarHBondContact O-CB 3.25Å; E237-Q240 PolarHBondContact O-N 3.29Å; P238-Q240 PolarHBondContact O-N 2.91Å; Q240-Y265 HydrophobicContact CG-CD2 4.27Å; Q240-Y265 HydrophobicContact CG-CE2 3.72Å; Q240-Y265 PolarHBondContact NE2-OH 3.4Å
241V98.3Very high95.4Very high2 Ų250.8 Ų50.81%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-94.296.3175.6-175.50000109.8L222 K227 I230 V236 P238 E239L222-V241 HydrophobicContact CD1-CG1 4.48Å; K227-V241 HydrophobicContact CB-CG1 4.36Å; K227-V241 HydrophobicContact CG-CG1 4.2Å; I230-V241 HydrophobicContact CB-CG1 4.18Å; I230-V241 HydrophobicContact CB-CG2 4.3Å; I230-V241 HydrophobicContact CD1-CG1 4.31Å; I230-V241 HydrophobicContact CG2-CG1 3.98Å; I230-V241 HydrophobicContact CG2-CG2 3.89Å; V236-V241 HydrophobicContact CG2-CG2 3.93Å; P238-V241 PolarHBondContact O-N 3.42Å; P238-V241 VanDerWaalsContact O-N 3.16Å; E239-V241 VanDerWaalsContact C-N 3.3Å
242I98.2Very high95.2Very high3 Ų353.3 Ų53.32%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-91.6125.8-175.2-49.5-57.6000109.7L213 I214 V215 C216 V244 L257 Q260 V262L213-I242 HydrophobicContact CD2-CG1 4.45Å; I214-I242 PolarHBondContact O-N 3.22Å; V215-I242 HydrophobicContact CG2-CB 4.25Å; C216-I242 PolarHBondContact N-O 2.9Å; I242-V244 HydrophobicContact CG2-CG2 4.46Å; I242-L257 HydrophobicContact CG2-CD2 3.58Å; I242-Q260 HydrophobicContact CD1-CB 4.17Å; I242-Q260 HydrophobicContact CG2-CB 4.29Å; I242-V262 HydrophobicContact CD1-CG2 3.89Å; I242-V262 HydrophobicContact CG1-CG2 4.13Å; I242-V262 HydrophobicContact CG2-CG2 4.42Å
243C97.3Very high95.1Very high7 Ų747.7 Ų47.75%0.04724%0.241CC..EExtended strand (participates in β ladder)trans-91.7120.7178.4175.30000110.3L222 L256 Q260L222-C243 HydrophobicContact CB-CB 4.27Å; L222-C243 HydrophobicContact CD1-CB 4.14Å; L222-C243 HydrophobicContact CG-CB 4.07Å; L222-C243 PolarHBondContact N-SG 3.45Å; C243-L256 WeakPolarHBondContact O-CD2 3.34Å; C243-Q260 PolarHBondContact O-NE2 2.92Å
244V96.5Very high95Very high11 Ų1143.3 Ų43.37%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-11998.3170.7-177.70000108.2I19 V215 C216 R217 C218 I242 V253 L256 L257I19-V244 HydrophobicContact CD1-CB 4.39Å; I19-V244 HydrophobicContact CD1-CG1 4.14Å; I19-V244 HydrophobicContact CD1-CG2 3.87Å; V215-V244 HydrophobicContact CG1-CB 4.3Å; V215-V244 HydrophobicContact CG1-CG2 3.56Å; C216-V244 PolarHBondContact O-N 3.34Å; R217-V244 VanDerWaalsContact CA-O 3.29Å; R217-V244 WeakPolarHBondContact CA-O 3.39Å; C218-V244 PolarHBondContact N-O 2.92Å; I242-V244 HydrophobicContact CG2-CG2 4.46Å; V244-V253 HydrophobicContact CG1-CG1 4.37Å; V244-L256 HydrophobicContact CB-CD2 4.28Å; V244-L256 HydrophobicContact CG1-CD2 4.16Å; V244-L256 HydrophobicContact CG2-CD2 4.28Å; V244-L257 HydrophobicContact CG2-CD2 3.88Å
245H95Very high94.9Very high51 Ų5143.6 Ų43.624%0.23622%0.223CC..EExtended strand (participates in β ladder)trans-86.2166.8178.959.4-84.2000111.1C218 V247 L256C218-H245 CarbonylContact O-C 3.51Å; C218-H245 WeakPolarHBondContact O-CA 3.36Å; H245-V247 PolarHBondContact O-N 2.75Å; H245-L256 VanDerWaalsContact CE1-CD1 3.49Å; H245-L256 WeakPolarHBondContact CE1-CD1 3.33Å
246D93.8Very high94.8Very high85 Ų8537.6 Ų37.646%0.45520%0.196SC..  trans-62118.7174.1-70-32.4000109.7C218 S219C218-D246 PolarHBondContact O-N 3.25Å; S219-D246 VanDerWaalsContact CA-OD2 3.32Å; S219-D246 WeakPolarHBondContact CA-OD2 3.47Å; S219-D246 WeakPolarHBondContact CB-OD2 3.49Å; S219-D246 PolarHBondContact OG-OD2 2.85Å
247V92.4Very high94.7Very high47 Ų4737.1 Ų37.129%0.28519%0.193SC..  trans-109.9158-178.1-71.80000110.8H245 S249 R252 V253H245-V247 PolarHBondContact O-N 2.75Å; V247-S249 WeakPolarHBondContact CG2-O 3.27Å; V247-S249 PolarHBondContact O-N 2.84Å; V247-R252 HydrophobicContact CB-CB 4.06Å; V247-R252 HydrophobicContact CB-CG 4.5Å; V247-R252 HydrophobicContact CG1-CB 4.18Å; V247-R252 HydrophobicContact CG1-CG 4.21Å; V247-R252 HydrophobicContact CG2-CB 4.26Å; V247-V253 HydrophobicContact CG2-CG2 3.9Å
248S87.8Confident94.5Very high69 Ų6934.2 Ų34.248%0.48318%0.179SC..SBendtrans-61.6-31.5178.455.60000113.2Y292 D293S248-Y292 WeakPolarHBondContact O-CE1 3.26Å; S248-D293 VanDerWaalsContact CB-OD1 3.25Å; S248-D293 WeakPolarHBondContact CB-OD1 3.36Å; S248-D293 PolarHBondContact OG-OD1 3.23Å
249S89.5Confident94.4Very high10 Ų1038.6 Ų38.67%0.0720%0.195CC..  trans-147.3146.7-178.3-176.60000112V247 Y251 R252V247-S249 WeakPolarHBondContact CG2-O 3.27Å; V247-S249 PolarHBondContact O-N 2.84Å; S249-Y251 PolarHBondContact O-N 3.3Å; S249-Y251 VanDerWaalsContact O-N 3.12Å; S249-Y251 WeakPolarHBondContact OG-CD2 3.13Å; S249-Y251 PolarHBondContact OG-N 3.3Å; S249-R252 WeakPolarHBondContact O-CB 3.42Å; S249-R252 PolarHBondContact O-N 3.23Å
250I91.3Very high94.4Very high42 Ų4234.1 Ų34.122%0.21517%0.174CC..G310 helixtrans-57.7-25173.363.1179.1000112.4I18 F77 R252 V253 K319I18-I250 HydrophobicContact CD1-CB 4.41Å; I18-I250 HydrophobicContact CD1-CG2 4.23Å; F77-I250 HydrophobicContact CE2-CD1 3.9Å; F77-I250 HydrophobicContact CZ-CB 4.21Å; F77-I250 HydrophobicContact CZ-CD1 3.79Å; F77-I250 HydrophobicContact CZ-CG1 3.96Å; I250-R252 PolarHBondContact O-N 3.19Å; I250-V253 PolarHBondContact O-N 3.27Å; I250-K319 HydrophobicContact CD1-CD 4.38Å
251Y91.5Very high94.2Very high2 Ų234 Ų341%0.00818%0.183CC..G310 helixtrans-69.1-15.3178-53.5-47.5000113.8S249 W285 M288 H323 L326 P533S249-Y251 PolarHBondContact O-N 3.3Å; S249-Y251 VanDerWaalsContact O-N 3.12Å; S249-Y251 WeakPolarHBondContact OG-CD2 3.13Å; S249-Y251 PolarHBondContact OG-N 3.3Å; Y251-W285 HydrophobicContact CD1-CE3 4.18Å; Y251-W285 HydrophobicContact CD1-CH2 4.21Å; Y251-W285 AromaticContact CD1-CZ3 3.6Å; Y251-W285 HydrophobicContact CD1-CZ3 3.6Å; Y251-W285 HydrophobicContact CE1-CZ3 4.49Å; Y251-W285 HydrophobicContact CG-CZ3 4.41Å; Y251-M288 HydrophobicContact CD1-CE 3.38Å; Y251-M288 HydrophobicContact CD1-SD 4.2Å; Y251-M288 HydrophobicContact CD2-CE 4.08Å; Y251-M288 HydrophobicContact CD2-CG 4.17Å; Y251-M288 HydrophobicContact CD2-SD 4.18Å; Y251-M288 HydrophobicContact CE1-CE 3.94Å; Y251-M288 HydrophobicContact CE1-SD 4.27Å; Y251-M288 HydrophobicContact CE2-SD 4.26Å; Y251-M288 HydrophobicContact CG-CE 3.48Å; Y251-M288 VanDerWaalsContact CG-CE 3.48Å; Y251-M288 HydrophobicContact CG-CG 4.44Å; Y251-M288 HydrophobicContact CG-SD 4.18Å; Y251-H323 PolarHBondContact OH-CD2 3.33Å; Y251-H323 PolarHBondContact OH-NE2 3.05Å; Y251-H323 VanDerWaalsContact OH-NE2 3.11Å; Y251-L326 HydrophobicContact CD2-CD2 4.44Å; Y251-L326 HydrophobicContact CE2-CD2 4.07Å; Y251-P533 HydrophobicContact CE1-CB 3.78Å; Y251-P533 HydrophobicContact CE1-CG 3.69Å
252R93.9Very high94.1Very high69 Ų6934.1 Ų34.126%0.2618%0.183SC..G310 helixtrans-78.7-23.3174.7-156.977-177.1-174.33112.5V247 S249 I250 L255 L256 D290V247-R252 HydrophobicContact CB-CB 4.06Å; V247-R252 HydrophobicContact CB-CG 4.5Å; V247-R252 HydrophobicContact CG1-CB 4.18Å; V247-R252 HydrophobicContact CG1-CG 4.21Å; V247-R252 HydrophobicContact CG2-CB 4.26Å; S249-R252 WeakPolarHBondContact O-CB 3.42Å; S249-R252 PolarHBondContact O-N 3.23Å; I250-R252 PolarHBondContact O-N 3.19Å; R252-L255 WeakPolarHBondContact O-CB 3.5Å; R252-L255 PolarHBondContact O-N 3.03Å; R252-L255 VanDerWaalsContact O-N 3.16Å; R252-L256 PolarHBondContact O-N 3.01Å; R252-D290 IonicContact NH1-OD1 3.9Å; R252-D290 PolarHBondContact NH1-OD1 3.32Å
253V95.6Very high93.8Very high7 Ų734.1 Ų34.14%0.04218%0.183CC..Hα-helixtrans-62-45.6-172.3-177.60000112.7I18 I19 S22 V244 V247 I250 L255 L256 L257I18-V253 HydrophobicContact CG2-CB 4.08Å; I18-V253 HydrophobicContact CG2-CG1 4.07Å; I18-V253 HydrophobicContact CG2-CG2 3.91Å; I19-V253 HydrophobicContact CD1-CG1 4.03Å; S22-V253 WeakPolarHBondContact OG-CG1 3.48Å; V244-V253 HydrophobicContact CG1-CG1 4.37Å; V247-V253 HydrophobicContact CG2-CG2 3.9Å; I250-V253 PolarHBondContact O-N 3.27Å; V253-L255 VanDerWaalsContact C-N 3.26Å; V253-L255 PolarHBondContact O-N 2.87Å; V253-L256 PolarHBondContact O-N 3.02Å; V253-L257 HydrophobicContact CG1-CD1 4.29Å; V253-L257 HydrophobicContact CG1-CG 4.39Å; V253-L257 WeakPolarHBondContact O-CG 3.5Å; V253-L257 PolarHBondContact O-N 3.4Å
254P94.7Very high93.7Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-57.4-38.4174.9-24.833.9000113.4I26 F77 L257 E258 L282 W285I26-P254 WeakPolarHBondContact CD1-O 3.32Å; I26-P254 HydrophobicContact CG1-CB 4.19Å; F77-P254 HydrophobicContact CE1-CG 4.49Å; P254-L257 PolarHBondContact O-N 3.48Å; P254-E258 PolarHBondContact O-N 2.91Å; P254-L282 HydrophobicContact CB-CD1 4.24Å; P254-W285 HydrophobicContact CG-CD2 4.49Å; P254-W285 HydrophobicContact CG-CE3 3.81Å; P254-W285 HydrophobicContact CG-CZ3 3.84Å
255L94.4Very high93.7Very high8 Ų839.1 Ų39.14%0.04221%0.206CC..Hα-helixtrans-69.2-42179.4-53.2171.5000111.1R252 V253 L257 E258 E259 L282 W285 K286 A289R252-L255 WeakPolarHBondContact O-CB 3.5Å; R252-L255 PolarHBondContact O-N 3.03Å; R252-L255 VanDerWaalsContact O-N 3.16Å; V253-L255 VanDerWaalsContact C-N 3.26Å; V253-L255 PolarHBondContact O-N 2.87Å; L255-L257 VanDerWaalsContact C-N 3.3Å; L255-L257 PolarHBondContact O-N 3.21Å; L255-E258 WeakPolarHBondContact O-CB 3.4Å; L255-E258 PolarHBondContact O-N 3.18Å; L255-E259 WeakPolarHBondContact O-CG 3.47Å; L255-E259 PolarHBondContact O-N 3.16Å; L255-L282 HydrophobicContact CD2-CD1 3.72Å; L255-L282 HydrophobicContact CD2-CG 3.87Å; L255-W285 HydrophobicContact CD2-CB 4.44Å; L255-K286 HydrophobicContact CD1-CB 4.07Å; L255-K286 HydrophobicContact CD1-CG 4.33Å; L255-K286 HydrophobicContact CD2-CB 4.07Å; L255-A289 HydrophobicContact CD1-CB 4.04Å
256L95.4Very high93.7Very high18 Ų1836.7 Ų36.79%0.09420%0.195CC..Hα-helixtrans-63.2-36.2177.5-170.379.7000112.4C243 V244 H245 R252 V253 Q260C243-L256 WeakPolarHBondContact O-CD2 3.34Å; V244-L256 HydrophobicContact CB-CD2 4.28Å; V244-L256 HydrophobicContact CG1-CD2 4.16Å; V244-L256 HydrophobicContact CG2-CD2 4.28Å; H245-L256 VanDerWaalsContact CE1-CD1 3.49Å; H245-L256 WeakPolarHBondContact CE1-CD1 3.33Å; R252-L256 PolarHBondContact O-N 3.01Å; V253-L256 PolarHBondContact O-N 3.02Å; L256-Q260 WeakPolarHBondContact O-CG 3.47Å; L256-Q260 PolarHBondContact O-N 3Å; L256-Q260 PolarHBondContact O-NE2 3.37Å
257L96Very high93.8Very high2 Ų236.6 Ų36.61%0.0119%0.188CC..Hα-helixtrans-72.1-39.2175.2-65.9179000111.4I23 I26 I242 V244 V253 P254 L255 Q260 V262I23-L257 HydrophobicContact CG1-CD1 4.27Å; I26-L257 HydrophobicContact CD1-CB 3.65Å; I26-L257 HydrophobicContact CD1-CD1 4.22Å; I242-L257 HydrophobicContact CG2-CD2 3.58Å; V244-L257 HydrophobicContact CG2-CD2 3.88Å; V253-L257 HydrophobicContact CG1-CD1 4.29Å; V253-L257 HydrophobicContact CG1-CG 4.39Å; V253-L257 WeakPolarHBondContact O-CG 3.5Å; V253-L257 PolarHBondContact O-N 3.4Å; P254-L257 PolarHBondContact O-N 3.48Å; L255-L257 VanDerWaalsContact C-N 3.3Å; L255-L257 PolarHBondContact O-N 3.21Å; L257-Q260 PolarHBondContact O-N 2.89Å; L257-V262 HydrophobicContact CB-CG2 4.25Å; L257-V262 WeakPolarHBondContact O-CB 3.21Å; L257-V262 VanDerWaalsContact O-CG2 3.25Å; L257-V262 WeakPolarHBondContact O-CG2 3.39Å; L257-V262 PolarHBondContact O-N 3.23Å
258E92.9Very high93.9Very high63 Ų6341.6 Ų41.629%0.29421%0.208SC..Hα-helixtrans-60.5-47.7174.1178.7-178.7-139.200111.6P254 L255 Q260 G261 R279 L282P254-E258 PolarHBondContact O-N 2.91Å; L255-E258 WeakPolarHBondContact O-CB 3.4Å; L255-E258 PolarHBondContact O-N 3.18Å; E258-Q260 PolarHBondContact O-N 3.43Å; E258-Q260 VanDerWaalsContact O-N 3.13Å; E258-G261 PolarHBondContact O-N 3.37Å; E258-R279 WeakPolarHBondContact OE1-CD 3.09Å; E258-R279 IonicContact OE1-CZ 2.75Å; E258-R279 IonicContact OE1-NE 2.86Å; E258-R279 IonicContact OE1-NH1 3.85Å; E258-R279 PolarHBondContact OE1-NH1 3.3Å; E258-L282 HydrophobicContact CB-CD2 4.3Å; E258-L282 HydrophobicContact CG-CD2 4.16Å; E258-L282 WeakPolarHBondContact OE1-CD2 3.41Å; E258-L282 WeakPolarHBondContact OE2-CD2 3.4Å
259E93.9Very high94.3Very high139 Ų13940.3 Ų40.365%0.6519%0.192SC*.Hα-helixtrans-58.2-26.1179.1-75.3173.8-175.200112.8L255L255-E259 WeakPolarHBondContact O-CG 3.47Å; L255-E259 PolarHBondContact O-N 3.16Å
260Q96.3Very high94.7Very high49 Ų4939.8 Ų39.823%0.22919%0.189CC..THydrogen-bonded Turntrans-9313.5178.6-70.3179.592.600113.9I242 C243 L256 L257 E258 V262I242-Q260 HydrophobicContact CD1-CB 4.17Å; I242-Q260 HydrophobicContact CG2-CB 4.29Å; C243-Q260 PolarHBondContact O-NE2 2.92Å; L256-Q260 WeakPolarHBondContact O-CG 3.47Å; L256-Q260 PolarHBondContact O-N 3Å; L256-Q260 PolarHBondContact O-NE2 3.37Å; L257-Q260 PolarHBondContact O-N 2.89Å; E258-Q260 PolarHBondContact O-N 3.43Å; E258-Q260 VanDerWaalsContact O-N 3.13Å; Q260-V262 PolarHBondContact O-N 3.32Å
261G93.9Very high94.9Very high31 Ų3143.9 Ų43.932%0.3221%0.211SC..THydrogen-bonded Turntrans77.416.1169.600000115.2E258 V263 D264 Y265E258-G261 PolarHBondContact O-N 3.37Å; G261-V263 PolarHBondContact O-N 2.98Å; G261-V263 VanDerWaalsContact O-N 3.16Å; G261-D264 PolarHBondContact O-N 3.1Å; G261-Y265 PolarHBondContact O-N 2.94Å; G261-Y265 VanDerWaalsContact O-N 3.13Å
262V94.9Very high95Very high4 Ų444.1 Ų44.12%0.02421%0.213CC..Hα-helixtrans-58.3-31.3-178.2170.50000112.4L213 I242 L257 Q260 Y265 F266L213-V262 HydrophobicContact CD1-CG1 4.44Å; I242-V262 HydrophobicContact CD1-CG2 3.89Å; I242-V262 HydrophobicContact CG1-CG2 4.13Å; I242-V262 HydrophobicContact CG2-CG2 4.42Å; L257-V262 HydrophobicContact CB-CG2 4.25Å; L257-V262 WeakPolarHBondContact O-CB 3.21Å; L257-V262 VanDerWaalsContact O-CG2 3.25Å; L257-V262 WeakPolarHBondContact O-CG2 3.39Å; L257-V262 PolarHBondContact O-N 3.23Å; Q260-V262 PolarHBondContact O-N 3.32Å; V262-Y265 WeakPolarHBondContact O-CB 3.4Å; V262-Y265 PolarHBondContact O-N 3.26Å; V262-F266 HydrophobicContact CG1-CD2 3.72Å; V262-F266 HydrophobicContact CG1-CE2 3.2Å; V262-F266 HydrophobicContact CG1-CZ 3.88Å; V262-F266 VanDerWaalsContact O-CD2 3.25Å; V262-F266 WeakPolarHBondContact O-CD2 2.99Å; V262-F266 PolarHBondContact O-N 2.95Å; V262-F266 VanDerWaalsContact O-N 3.07Å
263V93.6Very high94.9Very high3 Ų345.2 Ų45.22%0.01823%0.228CC..Hα-helixtrans-69.5-45.8179.4-174.80000112.6I26 G261 Y265 F266 R267 I274I26-V263 HydrophobicContact CG2-CG2 3.17Å; G261-V263 PolarHBondContact O-N 2.98Å; G261-V263 VanDerWaalsContact O-N 3.16Å; V263-Y265 PolarHBondContact O-N 3.28Å; V263-F266 PolarHBondContact O-N 3.2Å; V263-R267 PolarHBondContact O-N 3.35Å; V263-I274 HydrophobicContact CG1-CD1 3.89Å; V263-I274 HydrophobicContact CG1-CG2 4.11Å
264D93.6Very high94.6Very high76 Ų7645.3 Ų45.341%0.40623%0.229SC..Hα-helixtrans-64.5-36.2177.4-70.9-45.1000110.2G261 R267 H268G261-D264 PolarHBondContact O-N 3.1Å; D264-R267 WeakPolarHBondContact O-CB 3.35Å; D264-R267 PolarHBondContact O-N 3.19Å; D264-H268 PolarHBondContact O-CD2 3.15Å; D264-H268 PolarHBondContact O-N 3.17Å; D264-H268 VanDerWaalsContact O-N 3.17Å
265Y96.5Very high93.8Very high47 Ų4751.4 Ų51.418%0.18426%0.257CS..Hα-helixtrans-57.2-52.6172.3-175.4-97.3000112.2D212 L213 Q240 G261 V262 V263 R267 H268 R269D212-Y265 HydrophobicContact CB-CE1 4.25Å; D212-Y265 VanDerWaalsContact CB-OH 3.31Å; D212-Y265 WeakPolarHBondContact CB-OH 3.26Å; D212-Y265 PolarHBondContact O-OH 3.4Å; L213-Y265 HydrophobicContact CD1-CD1 3.75Å; L213-Y265 HydrophobicContact CD1-CE1 4.03Å; L213-Y265 HydrophobicContact CD2-CD1 3.67Å; L213-Y265 HydrophobicContact CD2-CD2 4.16Å; L213-Y265 HydrophobicContact CD2-CE1 3.68Å; L213-Y265 HydrophobicContact CD2-CE2 4.2Å; L213-Y265 HydrophobicContact CD2-CG 3.9Å; L213-Y265 HydrophobicContact CG-CD1 3.74Å; L213-Y265 HydrophobicContact CG-CE1 3.57Å; L213-Y265 HydrophobicContact CG-CG 4.48Å; Q240-Y265 HydrophobicContact CG-CD2 4.27Å; Q240-Y265 HydrophobicContact CG-CE2 3.72Å; Q240-Y265 PolarHBondContact NE2-OH 3.4Å; G261-Y265 PolarHBondContact O-N 2.94Å; G261-Y265 VanDerWaalsContact O-N 3.13Å; V262-Y265 WeakPolarHBondContact O-CB 3.4Å; V262-Y265 PolarHBondContact O-N 3.26Å; V263-Y265 PolarHBondContact O-N 3.28Å; Y265-R267 VanDerWaalsContact C-N 3.33Å; Y265-R267 PolarHBondContact O-N 3.33Å; Y265-H268 PolarHBondContact O-N 2.9Å; Y265-R269 HydrophobicContact CD1-CB 4.18Å; Y265-R269 HydrophobicContact CE1-CB 3.81Å; Y265-R269 HydrophobicContact CE1-CG 3.82Å; Y265-R269 WeakPolarHBondContact O-CB 3.21Å; Y265-R269 PolarHBondContact O-N 3.34Å
266F96.4Very high92.7Very high0 Ų061 Ų610%029%0.293CS..Hα-helixtrans-64.8-36.4179.9-70.4-46.3000113I4 I23 L27 I178 L213 V262 V263 H268 R269 L270 L272I4-F266 HydrophobicContact CD1-CD1 4.26Å; I4-F266 HydrophobicContact CD1-CE1 3.98Å; I4-F266 HydrophobicContact CD1-CE2 4.47Å; I4-F266 HydrophobicContact CD1-CZ 4.1Å; I23-F266 HydrophobicContact CD1-CZ 4.44Å; I23-F266 HydrophobicContact CG1-CE2 4.33Å; I23-F266 HydrophobicContact CG1-CZ 4.42Å; I23-F266 HydrophobicContact CG2-CE2 3.62Å; I23-F266 HydrophobicContact CG2-CZ 3.87Å; L27-F266 HydrophobicContact CD2-CB 4.47Å; L27-F266 HydrophobicContact CD2-CD2 4.11Å; I178-F266 HydrophobicContact CD1-CE1 4.12Å; I178-F266 HydrophobicContact CD1-CZ 3.72Å; L213-F266 HydrophobicContact CD1-CE1 4.04Å; L213-F266 HydrophobicContact CD1-CZ 3.98Å; V262-F266 HydrophobicContact CG1-CD2 3.72Å; V262-F266 HydrophobicContact CG1-CE2 3.2Å; V262-F266 HydrophobicContact CG1-CZ 3.88Å; V262-F266 VanDerWaalsContact O-CD2 3.25Å; V262-F266 WeakPolarHBondContact O-CD2 2.99Å; V262-F266 PolarHBondContact O-N 2.95Å; V262-F266 VanDerWaalsContact O-N 3.07Å; V263-F266 PolarHBondContact O-N 3.2Å; F266-H268 VanDerWaalsContact C-N 3.29Å; F266-H268 PolarHBondContact O-N 3.32Å; F266-R269 PolarHBondContact O-N 3.24Å; F266-L270 HydrophobicContact CD1-CD1 4.1Å; F266-L270 WeakPolarHBondContact O-CB 2.89Å; F266-L270 PolarHBondContact O-N 2.86Å; F266-L272 HydrophobicContact CB-CD1 4.09Å
267R94.8Very high91.5Very high83 Ų8366.2 Ų66.231%0.31332%0.317SS..Hα-helixtrans-54.4-47.1174.2-176.6-177.6178.5168.52.8111.3V263 D264 Y265 D271 L272 I274V263-R267 PolarHBondContact O-N 3.35Å; D264-R267 WeakPolarHBondContact O-CB 3.35Å; D264-R267 PolarHBondContact O-N 3.19Å; Y265-R267 VanDerWaalsContact C-N 3.33Å; Y265-R267 PolarHBondContact O-N 3.33Å; R267-D271 VanDerWaalsContact O-CA 3.28Å; R267-D271 WeakPolarHBondContact O-CA 3.29Å; R267-D271 PolarHBondContact O-N 3.34Å; R267-L272 PolarHBondContact O-N 3.19Å; R267-I274 HydrophobicContact CB-CD1 4.38Å
268H94.9Very high90.1Very high151 Ų15170.8 Ų70.870%0.69935%0.347SS*.Hα-helixtrans-79.2-42-179.5-68.6-61000113.3D264 Y265 F266D264-H268 PolarHBondContact O-CD2 3.15Å; D264-H268 PolarHBondContact O-N 3.17Å; D264-H268 VanDerWaalsContact O-N 3.17Å; Y265-H268 PolarHBondContact O-N 2.9Å; F266-H268 VanDerWaalsContact C-N 3.29Å; F266-H268 PolarHBondContact O-N 3.32Å
269R97Very high89.4Confident42 Ų4270.3 Ų70.316%0.15834%0.342CS..Hα-helixtrans-72.1-34.4-173.9179.158.4-174.972.88.8113.3R172 F175 D212 Y265 F266R172-R269 PolarHBondContact O-NH1 2.63Å; F175-R269 PolarHBondContact O-NH1 2.87Å; F175-R269 PolarHBondContact O-NH2 3.36Å; D212-R269 IonicContact OD1-CZ 2.77Å; D212-R269 IonicContact OD1-NE 3.53Å; D212-R269 PolarHBondContact OD1-NE 2.71Å; D212-R269 IonicContact OD1-NH2 3.27Å; D212-R269 PolarHBondContact OD1-NH2 2.86Å; D212-R269 VanDerWaalsContact OD1-NH2 3.08Å; D212-R269 IonicContact OD2-CZ 3.45Å; D212-R269 IonicContact OD2-NE 3.28Å; D212-R269 IonicContact OD2-NH2 2.88Å; D212-R269 PolarHBondContact OD2-NH2 2.72Å; Y265-R269 HydrophobicContact CD1-CB 4.18Å; Y265-R269 HydrophobicContact CE1-CB 3.81Å; Y265-R269 HydrophobicContact CE1-CG 3.82Å; Y265-R269 WeakPolarHBondContact O-CB 3.21Å; Y265-R269 PolarHBondContact O-N 3.34Å; F266-R269 PolarHBondContact O-N 3.24Å
270L97.3Very high88.6Confident0 Ų073.6 Ų73.60%035%0.349CS..Hα-helixtrans-112.51.5-175.9-68.8174.8000113.4K2 I4 E173 C176 F266 L272K2-L270 HydrophobicContact CB-CD1 4.38Å; K2-L270 HydrophobicContact CD-CB 4.45Å; K2-L270 WeakPolarHBondContact CD-O 3.46Å; K2-L270 WeakPolarHBondContact CE-O 2.93Å; K2-L270 PolarHBondContact NZ-O 2.92Å; I4-L270 HydrophobicContact CD1-CD1 4.06Å; I4-L270 HydrophobicContact CG1-CD1 3.84Å; E173-L270 WeakPolarHBondContact O-CA 3.41Å; C176-L270 HydrophobicContact CB-CD1 3.98Å; C176-L270 HydrophobicContact CB-CD2 3.82Å; C176-L270 HydrophobicContact CB-CG 4.06Å; F266-L270 HydrophobicContact CD1-CD1 4.1Å; F266-L270 WeakPolarHBondContact O-CB 2.89Å; F266-L270 PolarHBondContact O-N 2.86Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-L272 HydrophobicContact CB-CD1 4.05Å; L270-L272 HydrophobicContact CB-CG 3.86Å; L270-L272 HydrophobicContact CD1-CD1 4.13Å; L270-L272 PolarHBondContact O-N 3.41Å
271D95.4Very high87.8Confident127 Ų12773.6 Ų73.668%0.67935%0.349SS*.THydrogen-bonded Turntrans50.750.8-175.6-166.633.9000111.7R267R267-D271 VanDerWaalsContact O-CA 3.28Å; R267-D271 WeakPolarHBondContact O-CA 3.29Å; R267-D271 PolarHBondContact O-N 3.34Å
272L94Very high87.3Confident8 Ų872.3 Ų72.34%0.04234%0.335CS..  trans-85.1137.1-177.1-78.1170.7000111K2 L27 L32 V142 F266 R267 L270 I274K2-L272 HydrophobicContact CB-CD2 4.44Å; K2-L272 HydrophobicContact CG-CD2 3.71Å; K2-L272 HydrophobicContact CG-CG 4.47Å; L27-L272 HydrophobicContact CD2-CD1 4.12Å; L32-L272 HydrophobicContact CD1-CB 4.49Å; L32-L272 HydrophobicContact CD1-CD1 4.15Å; L32-L272 HydrophobicContact CD1-CD2 4Å; L32-L272 HydrophobicContact CD1-CG 4.46Å; V142-L272 HydrophobicContact CG2-CD1 4.36Å; V142-L272 HydrophobicContact CG2-CD2 3.74Å; F266-L272 HydrophobicContact CB-CD1 4.09Å; R267-L272 PolarHBondContact O-N 3.19Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-L272 HydrophobicContact CB-CD1 4.05Å; L270-L272 HydrophobicContact CB-CG 3.86Å; L270-L272 HydrophobicContact CD1-CD1 4.13Å; L270-L272 PolarHBondContact O-N 3.41Å; L272-I274 HydrophobicContact CB-CD1 3.97Å; L272-I274 HydrophobicContact CB-CG1 3.92Å; L272-I274 HydrophobicContact CD1-CD1 4.35Å; L272-I274 PolarHBondContact O-N 2.61Å
273P91.6Very high86.9Confident91 Ų9176.9 Ų76.959%0.59136%0.357SS*.  trans-78.164.5-179.134.4-36.5000111L32L32-P273 HydrophobicContact CD2-CG 4.12Å
274I88.8Confident86.6Confident9 Ų981.6 Ų81.65%0.04638%0.377CS..  trans-91.1114-178.7-61.6174.9000109.3L27 C30 L32 V263 R267 L272L27-I274 HydrophobicContact CD2-CD1 4.23Å; C30-I274 HydrophobicContact CB-CG1 4.28Å; C30-I274 HydrophobicContact CB-CG2 3.95Å; L32-I274 HydrophobicContact CD1-CD1 4.4Å; L32-I274 HydrophobicContact CD1-CG1 4.12Å; V263-I274 HydrophobicContact CG1-CD1 3.89Å; V263-I274 HydrophobicContact CG1-CG2 4.11Å; R267-I274 HydrophobicContact CB-CD1 4.38Å; L272-I274 HydrophobicContact CB-CD1 3.97Å; L272-I274 HydrophobicContact CB-CG1 3.92Å; L272-I274 HydrophobicContact CD1-CD1 4.35Å; L272-I274 PolarHBondContact O-N 2.61Å
275E79.1Confident86.4Confident129 Ų12978.1 Ų78.160%0.60336%0.359SS*.  trans-78.9147.9172.7-63.6-170.9-178.800111.7Q277E275-Q277 VanDerWaalsContact C-N 3.26Å; E275-Q277 HydrophobicContact CB-CG 4.12Å; E275-Q277 PolarHBondContact O-N 3.04Å; E275-Q277 PolarHBondContact OE2-NE2 2.89Å
276R71Confident86.1Confident210 Ų21081.5 Ų81.579%0.79237%0.374SS*.  trans-84.869.3174.8-69.6-175.8174172.8-0.6109.8
277Q70.1Confident85.7Confident126 Ų12684.1 Ų84.159%0.58939%0.386SS*.  trans-106.9156.6173.7-63.3-161.81600111.6E275 R279E275-Q277 VanDerWaalsContact C-N 3.26Å; E275-Q277 HydrophobicContact CB-CG 4.12Å; E275-Q277 PolarHBondContact O-N 3.04Å; E275-Q277 PolarHBondContact OE2-NE2 2.89Å; Q277-R279 PolarHBondContact O-N 3.2Å
278P65.1Low85.5Confident99 Ų9980.1 Ų80.164%0.64337%0.372SS*.  trans-59120.2172.5-19.430.8000110.9R280 M283P278-R280 VanDerWaalsContact C-N 3.34Å; P278-R280 PolarHBondContact O-N 3.38Å; P278-M283 HydrophobicContact CB-CE 3.79Å
279R79.4Confident85.3Confident52 Ų5273 Ų7320%0.19634%0.339CS..  trans-78.379.7-176.3-62.1176.6-172.5156.44.2110.8E258 Q277 M281 L282 M283E258-R279 WeakPolarHBondContact OE1-CD 3.09Å; E258-R279 IonicContact OE1-CZ 2.75Å; E258-R279 IonicContact OE1-NE 2.86Å; E258-R279 IonicContact OE1-NH1 3.85Å; E258-R279 PolarHBondContact OE1-NH1 3.3Å; Q277-R279 PolarHBondContact O-N 3.2Å; R279-M281 PolarHBondContact O-N 3.49Å; R279-L282 HydrophobicContact CB-CB 3.83Å; R279-L282 HydrophobicContact CB-CD2 4.44Å; R279-L282 PolarHBondContact O-N 2.97Å; R279-M283 PolarHBondContact O-N 2.62Å; R279-M283 VanDerWaalsContact O-N 3.09Å
280R76.1Confident85Confident209 Ų20972.9 Ų72.979%0.78934%0.341SS*.Hα-helixtrans-51.3-41.5-178.2-68.7-176.7178.1-178.7-1.5113P278 L282 M283 K284P278-R280 VanDerWaalsContact C-N 3.34Å; P278-R280 PolarHBondContact O-N 3.38Å; R280-L282 VanDerWaalsContact C-N 3.34Å; R280-L282 PolarHBondContact O-N 3.47Å; R280-M283 WeakPolarHBondContact O-CB 3.25Å; R280-M283 PolarHBondContact O-N 3.37Å; R280-K284 PolarHBondContact O-N 2.92Å
281M79.6Confident84.6Confident48 Ų4874.6 Ų74.624%0.23635%0.347CS..Hα-helixtrans-60.7-45.1177.3-176.9-177-174.700111.2T25 K28 R279 M283 K284 W285T25-M281 HydrophobicContact CG2-CE 4.12Å; K28-M281 HydrophobicContact CB-SD 4.43Å; K28-M281 HydrophobicContact CG-SD 4.41Å; R279-M281 PolarHBondContact O-N 3.49Å; M281-M283 VanDerWaalsContact C-N 3.3Å; M281-M283 PolarHBondContact O-N 3.41Å; M281-K284 WeakPolarHBondContact O-CB 3.44Å; M281-K284 PolarHBondContact O-N 2.97Å; M281-W285 VanDerWaalsContact O-CD1 3.3Å; M281-W285 PolarHBondContact O-N 3.02Å
282L84.4Confident84.3Confident5 Ų572.1 Ų72.13%0.02633%0.329CS..Hα-helixtrans-71.2-27-176.9-158.753.8000112.7P254 L255 E258 R279 R280 K284 W285 K286P254-L282 HydrophobicContact CB-CD1 4.24Å; L255-L282 HydrophobicContact CD2-CD1 3.72Å; L255-L282 HydrophobicContact CD2-CG 3.87Å; E258-L282 HydrophobicContact CB-CD2 4.3Å; E258-L282 HydrophobicContact CG-CD2 4.16Å; E258-L282 WeakPolarHBondContact OE1-CD2 3.41Å; E258-L282 WeakPolarHBondContact OE2-CD2 3.4Å; R279-L282 HydrophobicContact CB-CB 3.83Å; R279-L282 HydrophobicContact CB-CD2 4.44Å; R279-L282 PolarHBondContact O-N 2.97Å; R280-L282 VanDerWaalsContact C-N 3.34Å; R280-L282 PolarHBondContact O-N 3.47Å; L282-K284 VanDerWaalsContact C-N 3.33Å; L282-W285 HydrophobicContact CD1-CB 4.17Å; L282-W285 HydrophobicContact CD1-CG 4.5Å; L282-W285 WeakPolarHBondContact O-CB 3.42Å; L282-W285 PolarHBondContact O-N 2.88Å; L282-K286 PolarHBondContact O-N 2.97Å
283M86.7Confident83.9Confident99 Ų9975.6 Ų75.649%0.48835%0.348SS..Hα-helixtrans-60.1-42.3167.3-63.1-176.4-163.600111.7P278 R279 R280 M281 W285 K286 E287P278-M283 HydrophobicContact CB-CE 3.79Å; R279-M283 PolarHBondContact O-N 2.62Å; R279-M283 VanDerWaalsContact O-N 3.09Å; R280-M283 WeakPolarHBondContact O-CB 3.25Å; R280-M283 PolarHBondContact O-N 3.37Å; M281-M283 VanDerWaalsContact C-N 3.3Å; M281-M283 PolarHBondContact O-N 3.41Å; M283-W285 VanDerWaalsContact C-N 3.31Å; M283-W285 PolarHBondContact O-N 2.92Å; M283-K286 WeakPolarHBondContact O-CB 3.26Å; M283-K286 PolarHBondContact O-N 3.09Å; M283-K286 VanDerWaalsContact O-N 3.16Å; M283-E287 PolarHBondContact O-N 3Å
284K85.9Confident83.8Confident102 Ų10279.5 Ų79.544%0.44335%0.351SS..Hα-helixtrans-61.1-40.4174.8-60-177.7179.3-177.80111.8R280 M281 L282 K286 E287 M288 I534R280-K284 PolarHBondContact O-N 2.92Å; M281-K284 WeakPolarHBondContact O-CB 3.44Å; M281-K284 PolarHBondContact O-N 2.97Å; L282-K284 VanDerWaalsContact C-N 3.33Å; K284-K286 VanDerWaalsContact C-N 3.35Å; K284-E287 PolarHBondContact O-N 3.22Å; K284-M288 VanDerWaalsContact O-CB 3.25Å; K284-M288 WeakPolarHBondContact O-CB 3.25Å; K284-M288 PolarHBondContact O-N 3.2Å; K284-I534 HydrophobicContact CB-CD1 4.05Å; K284-I534 HydrophobicContact CD-CD1 4.05Å
285W89.4Confident83.7Confident4 Ų480.8 Ų80.82%0.01536%0.358CS..Hα-helixtrans-62.5-41.5174.6-80.181.7000112.3T25 F77 Y251 P254 L255 M281 L282 M283 M288 A289T25-W285 HydrophobicContact CG2-CD2 4.06Å; T25-W285 VanDerWaalsContact CG2-CE2 3.46Å; T25-W285 HydrophobicContact CG2-CG 4.44Å; T25-W285 HydrophobicContact CG2-CH2 4.44Å; T25-W285 HydrophobicContact CG2-CZ2 3.71Å; F77-W285 HydrophobicContact CB-CH2 4.2Å; F77-W285 HydrophobicContact CB-CZ2 4.46Å; F77-W285 AromaticContact CD1-CH2 3.29Å; F77-W285 HydrophobicContact CD1-CH2 3.29Å; F77-W285 HydrophobicContact CD1-CZ2 4.2Å; F77-W285 AromaticContact CD1-CZ3 3.82Å; F77-W285 HydrophobicContact CD1-CZ3 3.82Å; F77-W285 HydrophobicContact CD2-CH2 4.22Å; F77-W285 AromaticContact CE1-CH2 3.55Å; F77-W285 HydrophobicContact CE1-CH2 3.55Å; F77-W285 AromaticContact CE1-CZ3 3.62Å; F77-W285 HydrophobicContact CE1-CZ3 3.62Å; F77-W285 HydrophobicContact CE2-CH2 4.43Å; F77-W285 AromaticContact CG-CH2 3.65Å; F77-W285 HydrophobicContact CG-CH2 3.65Å; F77-W285 HydrophobicContact CG-CZ2 4.38Å; F77-W285 HydrophobicContact CZ-CH2 4.12Å; F77-W285 HydrophobicContact CZ-CZ3 4.21Å; F77-W285 WeakPolarHBondContact O-CZ2 3.46Å; Y251-W285 HydrophobicContact CD1-CE3 4.18Å; Y251-W285 HydrophobicContact CD1-CH2 4.21Å; Y251-W285 AromaticContact CD1-CZ3 3.6Å; Y251-W285 HydrophobicContact CD1-CZ3 3.6Å; Y251-W285 HydrophobicContact CE1-CZ3 4.49Å; Y251-W285 HydrophobicContact CG-CZ3 4.41Å; P254-W285 HydrophobicContact CG-CD2 4.49Å; P254-W285 HydrophobicContact CG-CE3 3.81Å; P254-W285 HydrophobicContact CG-CZ3 3.84Å; L255-W285 HydrophobicContact CD2-CB 4.44Å; M281-W285 VanDerWaalsContact O-CD1 3.3Å; M281-W285 PolarHBondContact O-N 3.02Å; L282-W285 HydrophobicContact CD1-CB 4.17Å; L282-W285 HydrophobicContact CD1-CG 4.5Å; L282-W285 WeakPolarHBondContact O-CB 3.42Å; L282-W285 PolarHBondContact O-N 2.88Å; M283-W285 VanDerWaalsContact C-N 3.31Å; M283-W285 PolarHBondContact O-N 2.92Å; W285-M288 HydrophobicContact CD2-CE 3.89Å; W285-M288 HydrophobicContact CE3-CE 3.7Å; W285-M288 HydrophobicContact CG-CE 4.41Å; W285-M288 HydrophobicContact CH2-CE 4.49Å; W285-M288 HydrophobicContact CZ3-CE 4.06Å; W285-M288 PolarHBondContact O-N 3.03Å; W285-A289 WeakPolarHBondContact O-CB 3.49Å; W285-A289 PolarHBondContact O-N 3.47Å
286K90.6Very high83.8Confident118 Ų11882.4 Ų82.451%0.51337%0.37SS..Hα-helixtrans-62.2-48.7174.9-174.5176.2179.81750112.2L255 L282 M283 K284 M288 A289 D290L255-K286 HydrophobicContact CD1-CB 4.07Å; L255-K286 HydrophobicContact CD1-CG 4.33Å; L255-K286 HydrophobicContact CD2-CB 4.07Å; L282-K286 PolarHBondContact O-N 2.97Å; M283-K286 WeakPolarHBondContact O-CB 3.26Å; M283-K286 PolarHBondContact O-N 3.09Å; M283-K286 VanDerWaalsContact O-N 3.16Å; K284-K286 VanDerWaalsContact C-N 3.35Å; K286-M288 VanDerWaalsContact C-N 3.29Å; K286-M288 PolarHBondContact O-N 3.13Å; K286-A289 PolarHBondContact O-N 2.95Å; K286-D290 WeakPolarHBondContact O-CB 3.4Å; K286-D290 VanDerWaalsContact O-CG 3.32Å; K286-D290 PolarHBondContact O-N 2.68Å
287E89.2Confident84.8Confident54 Ų5477.2 Ų77.225%0.25235%0.354SS..Hα-helixtrans-59.7-41.9176.8-73178.3-155.800112.1M283 K284 D290 R291 Y567M283-E287 PolarHBondContact O-N 3Å; K284-E287 PolarHBondContact O-N 3.22Å; E287-D290 PolarHBondContact O-N 3.43Å; E287-R291 WeakPolarHBondContact O-CB 3.43Å; E287-R291 VanDerWaalsContact O-CG 3.25Å; E287-R291 WeakPolarHBondContact O-CG 3.48Å; E287-R291 PolarHBondContact O-N 2.83Å; E287-Y567 HydrophobicContact CB-CD1 4.38Å; E287-Y567 WeakPolarHBondContact OE2-CD1 3.29Å
288M89.9Confident85.9Confident0 Ų074.7 Ų74.70%035%0.348CS..Hα-helixtrans-63.9-46.8177.8-175.9177.45500111.9Y251 K284 W285 K286 R291 Y292 L326 P533Y251-M288 HydrophobicContact CD1-CE 3.38Å; Y251-M288 HydrophobicContact CD1-SD 4.2Å; Y251-M288 HydrophobicContact CD2-CE 4.08Å; Y251-M288 HydrophobicContact CD2-CG 4.17Å; Y251-M288 HydrophobicContact CD2-SD 4.18Å; Y251-M288 HydrophobicContact CE1-CE 3.94Å; Y251-M288 HydrophobicContact CE1-SD 4.27Å; Y251-M288 HydrophobicContact CE2-SD 4.26Å; Y251-M288 HydrophobicContact CG-CE 3.48Å; Y251-M288 VanDerWaalsContact CG-CE 3.48Å; Y251-M288 HydrophobicContact CG-CG 4.44Å; Y251-M288 HydrophobicContact CG-SD 4.18Å; K284-M288 VanDerWaalsContact O-CB 3.25Å; K284-M288 WeakPolarHBondContact O-CB 3.25Å; K284-M288 PolarHBondContact O-N 3.2Å; W285-M288 HydrophobicContact CD2-CE 3.89Å; W285-M288 HydrophobicContact CE3-CE 3.7Å; W285-M288 HydrophobicContact CG-CE 4.41Å; W285-M288 HydrophobicContact CH2-CE 4.49Å; W285-M288 HydrophobicContact CZ3-CE 4.06Å; W285-M288 PolarHBondContact O-N 3.03Å; K286-M288 VanDerWaalsContact C-N 3.29Å; K286-M288 PolarHBondContact O-N 3.13Å; M288-R291 PolarHBondContact O-N 2.97Å; M288-Y292 PolarHBondContact O-N 3.4Å; M288-Y292 VanDerWaalsContact O-N 3.09Å; M288-L326 HydrophobicContact CG-CD2 3.28Å; M288-L326 HydrophobicContact CG-CG 4.35Å; M288-L326 HydrophobicContact SD-CD2 3.99Å; M288-P533 HydrophobicContact CE-CB 3.86Å; M288-P533 HydrophobicContact SD-CB 3.32Å; M288-P533 WeakPolarHBondContact SD-CB 3.47Å
289A91.4Very high87.4Confident1 Ų170.1 Ų70.11%0.00832%0.318CS..Hα-helixtrans-62.4-44.5176.300000111.4L255 W285 K286 R291 Y292 D293L255-A289 HydrophobicContact CD1-CB 4.04Å; W285-A289 WeakPolarHBondContact O-CB 3.49Å; W285-A289 PolarHBondContact O-N 3.47Å; K286-A289 PolarHBondContact O-N 2.95Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 3.37Å; A289-Y292 WeakPolarHBondContact O-CB 3.37Å; A289-Y292 PolarHBondContact O-N 3.47Å; A289-D293 PolarHBondContact O-N 3.06Å
290D90.5Very high88.3Confident39 Ų3967.9 Ų67.921%0.20931%0.31CS..Hα-helixtrans-65.1-32.3178.8-78.4-3.8000112.8R252 K286 E287 R294R252-D290 IonicContact NH1-OD1 3.9Å; R252-D290 PolarHBondContact NH1-OD1 3.32Å; K286-D290 WeakPolarHBondContact O-CB 3.4Å; K286-D290 VanDerWaalsContact O-CG 3.32Å; K286-D290 PolarHBondContact O-N 2.68Å; E287-D290 PolarHBondContact O-N 3.43Å; D290-R294 VanDerWaalsContact O-CG 3.31Å; D290-R294 WeakPolarHBondContact O-CG 3.39Å; D290-R294 PolarHBondContact O-NE 3.5Å; D290-R294 IonicContact OD2-NH2 3.76Å
291R88.3Confident89.4Confident36 Ų3657.9 Ų57.914%0.13627%0.273CS..Hα-helixtrans-68.1-43.2172.7-77.7171.7-169-131.4-14.4111.8E287 M288 A289 D293 R294 L295 L326 D565 T566E287-R291 WeakPolarHBondContact O-CB 3.43Å; E287-R291 VanDerWaalsContact O-CG 3.25Å; E287-R291 WeakPolarHBondContact O-CG 3.48Å; E287-R291 PolarHBondContact O-N 2.83Å; M288-R291 PolarHBondContact O-N 2.97Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 3.37Å; R291-D293 PolarHBondContact O-N 3.06Å; R291-R294 PolarHBondContact O-N 2.78Å; R291-L295 WeakPolarHBondContact O-CG 3.33Å; R291-L295 PolarHBondContact O-N 3.3Å; R291-L326 HydrophobicContact CB-CD1 3.78Å; R291-D565 PolarHBondContact NH1-O 3.24Å; R291-T566 PolarHBondContact NH2-O 3.41Å
292Y89.1Confident90.3Very high75 Ų7555.6 Ų55.629%0.29426%0.261SS..Hα-helixtrans-55.7-38.6-179.6-169.6-86.5000111.5S248 M288 A289 R294 L295S248-Y292 WeakPolarHBondContact O-CE1 3.26Å; M288-Y292 PolarHBondContact O-N 3.4Å; M288-Y292 VanDerWaalsContact O-N 3.09Å; A289-Y292 WeakPolarHBondContact O-CB 3.37Å; A289-Y292 PolarHBondContact O-N 3.47Å; Y292-R294 VanDerWaalsContact C-N 3.28Å; Y292-R294 PolarHBondContact O-N 3.28Å; Y292-L295 HydrophobicContact CD2-CD1 4.46Å
293D86.7Confident90.9Very high82 Ų8255.4 Ų55.444%0.43926%0.26SS..THydrogen-bonded Turntrans-74-13.9178.2-64.6-28.9000114.1S248 A289 R291S248-D293 VanDerWaalsContact CB-OD1 3.25Å; S248-D293 WeakPolarHBondContact CB-OD1 3.36Å; S248-D293 PolarHBondContact OG-OD1 3.23Å; A289-D293 PolarHBondContact O-N 3.06Å; R291-D293 PolarHBondContact O-N 3.06Å
294R88.5Confident91.4Very high172 Ų17250.7 Ų50.765%0.64924%0.237SC*.THydrogen-bonded Turntrans-114.715.8-173-62179.1-146.7173.76.1114D290 R291 Y292 L296D290-R294 VanDerWaalsContact O-CG 3.31Å; D290-R294 WeakPolarHBondContact O-CG 3.39Å; D290-R294 PolarHBondContact O-NE 3.5Å; D290-R294 IonicContact OD2-NH2 3.76Å; R291-R294 PolarHBondContact O-N 2.78Å; Y292-R294 VanDerWaalsContact C-N 3.28Å; Y292-R294 PolarHBondContact O-N 3.28Å; R294-L296 PolarHBondContact O-N 2.65Å
295L86.3Confident91.7Very high36 Ų3645.8 Ų45.819%0.18822%0.216CC..  trans-70.4121.3-179.6-60.1171.5000110.9R291 Y292 L326 N329 K331R291-L295 WeakPolarHBondContact O-CG 3.33Å; R291-L295 PolarHBondContact O-N 3.3Å; Y292-L295 HydrophobicContact CD2-CD1 4.46Å; L295-L326 HydrophobicContact CD2-CD1 4.35Å; L295-N329 VanDerWaalsContact CD2-C 3.45Å; L295-N329 HydrophobicContact CD2-CB 4.48Å; L295-K331 HydrophobicContact CB-CB 4.02Å
296L81.3Confident91.5Very high163 Ų16347 Ų4785%0.85322%0.221SC*.  trans-107.7-42.7-176-62.6177.8000113.3R294R294-L296 PolarHBondContact O-N 2.65Å
297E91.8Very high90.9Very high102 Ų10242.3 Ų42.348%0.47720%0.2SC..EExtended strand (participates in β ladder)trans-84.2138.9179.9-66.9179.7-174.900109.7H330 K331 R550E297-H330 CarbonylContact O-C 3.46Å; E297-H330 VanDerWaalsContact O-CA 3.24Å; E297-H330 WeakPolarHBondContact O-CA 3.18Å; E297-H330 IonicContact OE2-CE1 3.29Å; E297-H330 PolarHBondContact OE2-CE1 3.49Å; E297-H330 VanDerWaalsContact OE2-CE1 3.32Å; E297-H330 IonicContact OE2-NE2 3.98Å; E297-H330 PolarHBondContact OE2-NE2 2.9Å; E297-K331 PolarHBondContact O-N 3.45Å; E297-R550 IonicContact OE1-NH2 3.54Å; E297-R550 IonicContact OE2-CZ 3.97Å; E297-R550 IonicContact OE2-NH2 3.03Å; E297-R550 PolarHBondContact OE2-NH2 3.28Å
298T94.7Very high90.2Very high73 Ų7341 Ų4145%0.44820%0.196SC..EExtended strand (participates in β ladder)trans-103.7136.6178.2-57.20000109.7K331 E333T298-K331 CarbonylContact C-O 3.59Å; T298-K331 VanDerWaalsContact CA-O 3.31Å; T298-K331 WeakPolarHBondContact CA-O 3.37Å; T298-E333 HydrophobicContact CG2-CB 3.67Å
299C96.3Very high89.4Confident2 Ų249.1 Ų49.11%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-118.7121.6168.6-173.30000108.9H330 K331 E333 L544 S547C299-H330 HydrophobicContact CB-CB 4.08Å; C299-K331 PolarHBondContact N-O 3.5Å; C299-E333 PolarHBondContact O-N 2.87Å; C299-L544 HydrophobicContact CB-CD1 3.97Å; C299-L544 VanDerWaalsContact SG-CD1 3.55Å; C299-S547 VanDerWaalsContact SG-CB 3.52Å
300S97.8Very high88.4Confident5 Ų554.6 Ų54.64%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-101.1125.8-175.671.70000112.4E333 K335 D365 G366S300-E333 CarbonylContact C-O 3.57Å; S300-E333 VanDerWaalsContact CA-O 3.27Å; S300-E333 WeakPolarHBondContact CA-O 3.47Å; S300-K335 PolarHBondContact OG-NZ 2.79Å; S300-D365 WeakPolarHBondContact CB-OD2 3.21Å; S300-D365 PolarHBondContact N-OD2 2.92Å; S300-D365 WeakPolarHBondContact O-CA 3.5Å; S300-D365 WeakPolarHBondContact O-CB 3.21Å; S300-D365 PolarHBondContact O-N 2.87Å; S300-D365 PolarHBondContact OG-N 3.44Å; S300-D365 PolarHBondContact OG-OD2 2.9Å; S300-G366 PolarHBondContact O-N 3.06Å
301I98.4Very high87.3Confident0 Ų055.8 Ų55.80%027%0.266CS..EExtended strand (participates in β ladder)trans-118.7125.9179.4-56.4-63000109.2L303 L332 E333 K335 G366 L368 L543 L544 S547I301-L303 PolarHBondContact O-N 2.84Å; I301-L332 HydrophobicContact CG1-CD1 4.01Å; I301-E333 PolarHBondContact N-O 3.43Å; I301-K335 PolarHBondContact O-N 3.35Å; I301-G366 WeakPolarHBondContact CA-O 3.45Å; I301-L368 HydrophobicContact CG2-CB 4.07Å; I301-L543 HydrophobicContact CD1-CG 4.43Å; I301-L543 HydrophobicContact CG2-CD2 4.37Å; I301-L544 HydrophobicContact CD1-CD1 4.37Å; I301-L544 HydrophobicContact CD1-CD2 4.31Å; I301-L544 HydrophobicContact CG1-CD1 4.29Å; I301-L544 HydrophobicContact CG1-CD2 4.23Å; I301-S547 WeakPolarHBondContact CD1-OG 3.37Å
302A98.3Very high86.7Confident0 Ų058.6 Ų58.60%028%0.284CS..EExtended strand (participates in β ladder)trans-80.4113.5170.700000109.7K335 I337 L361 A364 G366 L368A302-K335 WeakPolarHBondContact CA-O 3.37Å; A302-I337 HydrophobicContact CB-CD1 3.88Å; A302-L361 HydrophobicContact CB-CD1 3.87Å; A302-A364 HydrophobicContact CB-CB 3.55Å; A302-G366 PolarHBondContact N-O 3.45Å; A302-L368 PolarHBondContact O-N 3.12Å
303L97.6Very high86.5Confident0 Ų055.3 Ų55.30%027%0.272CS..EExtended strand (participates in β ladder)trans-96.7105173.2-170.2160.8000108.2I301 G305 Y314 V317 I334 K335 I337 L368 P370I301-L303 PolarHBondContact O-N 2.84Å; L303-G305 PolarHBondContact O-N 3.26Å; L303-Y314 HydrophobicContact CD1-CG 4.46Å; L303-Y314 HydrophobicContact CD2-CD2 3.89Å; L303-Y314 HydrophobicContact CD2-CE2 3.93Å; L303-Y314 HydrophobicContact CD2-CG 4.28Å; L303-V317 HydrophobicContact CD1-CG1 4.07Å; L303-I334 HydrophobicContact CB-CG2 3.92Å; L303-I334 HydrophobicContact CD1-CG2 4.41Å; L303-K335 PolarHBondContact N-O 3.4Å; L303-I337 PolarHBondContact O-N 2.83Å; L303-L368 HydrophobicContact CD1-CD2 4.39Å; L303-L368 HydrophobicContact CG-CD2 4.46Å; L303-P370 HydrophobicContact CD2-CG 4.1Å
304V97Very high86.7Confident0 Ų051.9 Ų51.90%025%0.253CS..EExtended strand (participates in β ladder)trans-9593.4-176.8-175.70000109I337 L342 L361 V367 L368 V369 P370 K381 A384V304-I337 HydrophobicContact CG2-CB 4.35Å; V304-I337 HydrophobicContact CG2-CD1 4.36Å; V304-L342 HydrophobicContact CG1-CD1 3.82Å; V304-L361 HydrophobicContact CG2-CD1 4.1Å; V304-V367 HydrophobicContact CG2-CG1 4.24Å; V304-L368 PolarHBondContact N-O 3.03Å; V304-V369 HydrophobicContact CB-CG2 4.2Å; V304-P370 WeakPolarHBondContact O-CD 3.35Å; V304-K381 HydrophobicContact CG1-CG 4.16Å; V304-A384 HydrophobicContact CG1-CB 4.14Å; V304-A384 HydrophobicContact CG2-CB 4.06Å
305G92.6Very high86.8Confident0 Ų044.5 Ų44.50%023%0.229CC..EExtended strand (participates in β ladder)trans-126.1170-168.900000113.2L303 Y314 I337 D338 S339L303-G305 PolarHBondContact O-N 3.26Å; G305-Y314 VanDerWaalsContact CA-OH 3.31Å; G305-Y314 WeakPolarHBondContact CA-OH 3.28Å; G305-I337 PolarHBondContact N-O 3.09Å; G305-D338 WeakPolarHBondContact O-CA 3.17Å; G305-S339 PolarHBondContact O-N 3.14Å
306K85.3Confident87.2Confident29 Ų2942.8 Ų42.813%0.12622%0.22CC..SBendtrans-89.2-30.6174-179.1179173.9-171.50111.5Y53 Y314 F373 R376Y53-K306 PolarHBondContact OH-O 3.2Å; K306-Y314 PolarHBondContact N-OH 2.75Å; K306-F373 PolarHBondContact NZ-O 3.19Å; K306-R376 VanDerWaalsContact CG-CZ 3.47Å; K306-R376 PolarHBondContact O-NH2 3.02Å
307Y77.8Confident87.9Confident19 Ų1935.1 Ų35.18%0.07518%0.18CC..  trans-109.151.4-169.1-53.1-86.6000112P52 Y53 K309 Y314P52-Y307 HydrophobicContact CB-CD1 4.14Å; P52-Y307 HydrophobicContact CB-CD2 4.45Å; P52-Y307 HydrophobicContact CB-CE1 4.19Å; P52-Y307 HydrophobicContact CB-CE2 4.49Å; P52-Y307 HydrophobicContact CB-CG 4.33Å; P52-Y307 HydrophobicContact CG-CE1 4.32Å; P52-Y307 HydrophobicContact CG-CE2 4.3Å; Y53-Y307 AromaticContact CD1-CD1 3.8Å; Y53-Y307 HydrophobicContact CD1-CD1 3.8Å; Y53-Y307 AromaticContact CD2-CD1 3.54Å; Y53-Y307 HydrophobicContact CD2-CD1 3.54Å; Y53-Y307 AromaticContact CD2-CE1 3.54Å; Y53-Y307 HydrophobicContact CD2-CE1 3.54Å; Y53-Y307 AromaticContact CE1-CD1 3.5Å; Y53-Y307 HydrophobicContact CE1-CD1 3.5Å; Y53-Y307 HydrophobicContact CE1-CE1 4.42Å; Y53-Y307 HydrophobicContact CE1-CG 4.24Å; Y53-Y307 AromaticContact CE2-CD1 3.22Å; Y53-Y307 HydrophobicContact CE2-CD1 3.22Å; Y53-Y307 AromaticContact CE2-CE1 3.28Å; Y53-Y307 HydrophobicContact CE2-CE1 3.28Å; Y53-Y307 HydrophobicContact CE2-CG 4.44Å; Y53-Y307 AromaticContact CG-CD1 3.82Å; Y53-Y307 HydrophobicContact CG-CD1 3.82Å; Y53-Y307 HydrophobicContact CG-CE1 4.21Å; Y53-Y307 AromaticContact CZ-CD1 3.18Å; Y53-Y307 AromaticContact CZ-CE1 3.77Å; Y307-K309 PolarHBondContact O-N 2.91Å; Y307-Y314 WeakPolarHBondContact CD2-OH 3.43Å; Y307-Y314 PolarHBondContact N-OH 2.79Å
308T75.4Confident88Confident28 Ų2830.9 Ų30.917%0.17216%0.161CC..THydrogen-bonded Turntrans-82.5-9.9-170.851.70000115.6I337T308-I337 WeakPolarHBondContact CG2-O 3.08Å
309K72.9Confident88Confident169 Ų16929.7 Ų29.774%0.73515%0.149SC*.THydrogen-bonded Turntrans-77.2-28.9-178.7-67.3-173.5179.8-178.40113.6Y307Y307-K309 PolarHBondContact O-N 2.91Å
310F69.9Low88Confident117 Ų11729.6 Ų29.651%0.51315%0.149SC..  trans-119.4121.9-179.7-62.8-81.9000108.6Y53 D312 S313Y53-F310 AromaticContact CD1-CD2 3.79Å; Y53-F310 HydrophobicContact CD1-CD2 3.79Å; Y53-F310 HydrophobicContact CD1-CE2 4.18Å; Y53-F310 HydrophobicContact CE1-CD2 4.32Å; F310-D312 PolarHBondContact O-N 3.18Å; F310-S313 PolarHBondContact O-N 2.97Å
311S66.4Low88Confident63 Ų6329.4 Ų29.444%0.44115%0.147SC..G310 helixtrans-56.1-31.7177.146.40000112.5S313 Y314 A315 I318S311-S313 PolarHBondContact O-N 3.36Å; S311-Y314 PolarHBondContact O-N 2.82Å; S311-Y314 VanDerWaalsContact O-N 3.17Å; S311-A315 PolarHBondContact O-N 2.74Å; S311-I318 WeakPolarHBondContact O-CD1 3.17Å
312D76.3Confident87.8Confident96 Ų9631.2 Ų31.251%0.51316%0.155SC..G310 helixtrans-72.7-20.4-168.8-59.9-1.4000112.5E57 F310 Y314 A315E57-D312 PolarHBondContact N-O 3.32Å; F310-D312 PolarHBondContact O-N 3.18Å; D312-Y314 PolarHBondContact O-N 2.82Å; D312-A315 PolarHBondContact O-N 3.04Å
313S85.2Confident87.6Confident5 Ų531.3 Ų31.34%0.03516%0.156CC..G310 helixtrans-68.2-15.9174.8-54.30000113.5P52 F310 S311P52-S313 PolarHBondContact O-OG 3.03Å; F310-S313 PolarHBondContact O-N 2.97Å; S311-S313 PolarHBondContact O-N 3.36Å
314Y90.4Very high87.5Confident10 Ų1031.3 Ų31.34%0.03916%0.156CC..G310 helixtrans-130.825.1178-65.2-62.1000112L303 G305 K306 Y307 S311 D312 S316 V317 I318 P370L303-Y314 HydrophobicContact CD1-CG 4.46Å; L303-Y314 HydrophobicContact CD2-CD2 3.89Å; L303-Y314 HydrophobicContact CD2-CE2 3.93Å; L303-Y314 HydrophobicContact CD2-CG 4.28Å; G305-Y314 VanDerWaalsContact CA-OH 3.31Å; G305-Y314 WeakPolarHBondContact CA-OH 3.28Å; K306-Y314 PolarHBondContact N-OH 2.75Å; Y307-Y314 WeakPolarHBondContact CD2-OH 3.43Å; Y307-Y314 PolarHBondContact N-OH 2.79Å; S311-Y314 PolarHBondContact O-N 2.82Å; S311-Y314 VanDerWaalsContact O-N 3.17Å; D312-Y314 PolarHBondContact O-N 2.82Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-S316 PolarHBondContact O-N 3.04Å; Y314-V317 WeakPolarHBondContact O-CB 3.05Å; Y314-V317 PolarHBondContact O-N 2.84Å; Y314-I318 WeakPolarHBondContact O-CD1 3.44Å; Y314-I318 VanDerWaalsContact O-CG1 3.24Å; Y314-I318 WeakPolarHBondContact O-CG1 3.32Å; Y314-I318 PolarHBondContact O-N 3.08Å; Y314-P370 HydrophobicContact CD1-CB 4.06Å; Y314-P370 HydrophobicContact CD1-CG 3.9Å; Y314-P370 HydrophobicContact CE1-CB 3.78Å; Y314-P370 HydrophobicContact CE1-CG 3.33Å
315A91.1Very high87.4Confident18 Ų1831.4 Ų31.415%0.14916%0.157CC..Hα-helixtrans-57.4-43.2-172.600000113.1L69 S311 D312 I318 K319L69-A315 HydrophobicContact CD1-CB 4.13Å; L69-A315 HydrophobicContact CD2-CB 3.45Å; L69-A315 VanDerWaalsContact CD2-CB 3.45Å; L69-A315 HydrophobicContact CG-CB 4.38Å; S311-A315 PolarHBondContact O-N 2.74Å; D312-A315 PolarHBondContact O-N 3.04Å; A315-I318 PolarHBondContact O-N 3.08Å; A315-K319 WeakPolarHBondContact O-CB 3.31Å; A315-K319 WeakPolarHBondContact O-CG 3.33Å; A315-K319 PolarHBondContact O-N 3.35Å
316S94.4Very high87.4Confident0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-64.8-42.6179.2-58.90000111.8E57 L69 R76 Y314 K319 A320E57-S316 WeakPolarHBondContact OE1-CB 3.44Å; E57-S316 WeakPolarHBondContact OE2-CA 3.31Å; E57-S316 WeakPolarHBondContact OE2-CB 3.27Å; E57-S316 PolarHBondContact OE2-N 3.44Å; E57-S316 PolarHBondContact OE2-OG 2.9Å; L69-S316 WeakPolarHBondContact CD1-OG 3.42Å; R76-S316 PolarHBondContact NH2-OG 3.45Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-S316 PolarHBondContact O-N 3.04Å; S316-K319 PolarHBondContact O-N 3.05Å; S316-A320 WeakPolarHBondContact O-CB 3.4Å; S316-A320 PolarHBondContact O-N 3.21Å
317V95.8Very high87.7Confident2 Ų231.1 Ų31.11%0.01216%0.159CC..Hα-helixtrans-60-49.2176.5176.20000110.6L303 Y314 K319 A320 L321 L368 P370 E528 Y540L303-V317 HydrophobicContact CD1-CG1 4.07Å; Y314-V317 WeakPolarHBondContact O-CB 3.05Å; Y314-V317 PolarHBondContact O-N 2.84Å; V317-K319 VanDerWaalsContact C-N 3.34Å; V317-K319 PolarHBondContact O-N 3.17Å; V317-A320 PolarHBondContact O-N 3.08Å; V317-L321 HydrophobicContact CG1-CD1 4.35Å; V317-L321 WeakPolarHBondContact O-CG 3.4Å; V317-L321 PolarHBondContact O-N 2.9Å; V317-L368 HydrophobicContact CG1-CD2 3.4Å; V317-P370 HydrophobicContact CG2-CB 4.43Å; V317-E528 HydrophobicContact CG2-CB 4.45Å; V317-E528 HydrophobicContact CG2-CG 4.13Å; V317-Y540 HydrophobicContact CG1-CE1 3.99Å
318I94.6Very high88.3Confident13 Ų1330.3 Ų30.37%0.06716%0.156CC..Hα-helixtrans-60.2-45.8178.3-65.7163.5000110.2S311 Y314 A315 A320 L321 E322 I334 Y336S311-I318 WeakPolarHBondContact O-CD1 3.17Å; Y314-I318 WeakPolarHBondContact O-CD1 3.44Å; Y314-I318 VanDerWaalsContact O-CG1 3.24Å; Y314-I318 WeakPolarHBondContact O-CG1 3.32Å; Y314-I318 PolarHBondContact O-N 3.08Å; A315-I318 PolarHBondContact O-N 3.08Å; I318-A320 VanDerWaalsContact C-N 3.33Å; I318-A320 PolarHBondContact O-N 2.87Å; I318-L321 WeakPolarHBondContact O-CB 3.5Å; I318-L321 PolarHBondContact O-N 2.99Å; I318-E322 HydrophobicContact CG2-CG 4.38Å; I318-E322 WeakPolarHBondContact O-CG 3.44Å; I318-E322 PolarHBondContact O-N 3.45Å; I318-I334 HydrophobicContact CB-CD1 4.13Å; I318-I334 HydrophobicContact CG1-CD1 3.81Å; I318-I334 HydrophobicContact CG2-CD1 3.63Å; I318-Y336 HydrophobicContact CD1-CE1 4.17Å; I318-Y336 WeakPolarHBondContact CD1-OH 3.39Å
319K94Very high89.1Confident48 Ų4830.9 Ų30.921%0.20916%0.158CC..Hα-helixtrans-62.5-39.7177.6-68.6-70.6160.3-150.30112.1I250 A315 S316 V317 L321 E322 H323I250-K319 HydrophobicContact CD1-CD 4.38Å; A315-K319 WeakPolarHBondContact O-CB 3.31Å; A315-K319 WeakPolarHBondContact O-CG 3.33Å; A315-K319 PolarHBondContact O-N 3.35Å; S316-K319 PolarHBondContact O-N 3.05Å; V317-K319 VanDerWaalsContact C-N 3.34Å; V317-K319 PolarHBondContact O-N 3.17Å; K319-L321 PolarHBondContact O-N 2.95Å; K319-E322 WeakPolarHBondContact CD-OE2 3.19Å; K319-E322 IonicContact NZ-OE1 3.38Å; K319-E322 IonicContact NZ-OE2 3.77Å; K319-E322 PolarHBondContact NZ-OE2 3.21Å; K319-E322 PolarHBondContact O-N 2.94Å; K319-H323 PolarHBondContact O-CD2 2.95Å; K319-H323 PolarHBondContact O-N 3.07Å; K319-H323 PolarHBondContact O-ND1 2.97Å
320A96.9Very high90.1Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-65.5-37.7176.900000112.8S316 V317 I318 S324 E528 S531 Y540S316-A320 WeakPolarHBondContact O-CB 3.4Å; S316-A320 PolarHBondContact O-N 3.21Å; V317-A320 PolarHBondContact O-N 3.08Å; I318-A320 VanDerWaalsContact C-N 3.33Å; I318-A320 PolarHBondContact O-N 2.87Å; A320-S324 PolarHBondContact O-N 3.31Å; A320-S324 PolarHBondContact O-OG 3.25Å; A320-E528 HydrophobicContact CB-CB 4.01Å; A320-S531 WeakPolarHBondContact CA-OG 3.19Å; A320-Y540 HydrophobicContact CB-CD1 4.35Å; A320-Y540 HydrophobicContact CB-CD2 3.66Å; A320-Y540 HydrophobicContact CB-CE1 4.49Å; A320-Y540 HydrophobicContact CB-CE2 3.81Å; A320-Y540 HydrophobicContact CB-CG 3.93Å
321L97.1Very high91.2Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-65.7-43.4171.2-68.5167.4000111.5V317 I318 K319 S324 A325 L332 L368 Y540 L543 L544V317-L321 HydrophobicContact CG1-CD1 4.35Å; V317-L321 WeakPolarHBondContact O-CG 3.4Å; V317-L321 PolarHBondContact O-N 2.9Å; I318-L321 WeakPolarHBondContact O-CB 3.5Å; I318-L321 PolarHBondContact O-N 2.99Å; K319-L321 PolarHBondContact O-N 2.95Å; L321-S324 WeakPolarHBondContact O-CB 3.36Å; L321-S324 PolarHBondContact O-N 3.19Å; L321-A325 WeakPolarHBondContact O-CB 3.47Å; L321-A325 PolarHBondContact O-N 3.21Å; L321-L332 HydrophobicContact CB-CD1 4.19Å; L321-L332 HydrophobicContact CB-CD2 3.48Å; L321-L332 VanDerWaalsContact CB-CD2 3.48Å; L321-L368 HydrophobicContact CD1-CD2 3.89Å; L321-L368 HydrophobicContact CD2-CD2 4.44Å; L321-L368 HydrophobicContact CG-CD2 4.45Å; L321-Y540 HydrophobicContact CD2-CD1 3.61Å; L321-Y540 HydrophobicContact CD2-CE1 4.21Å; L321-Y540 HydrophobicContact CG-CD1 3.86Å; L321-Y540 HydrophobicContact CG-CE1 4.16Å; L321-L543 HydrophobicContact CD2-CD2 4.23Å; L321-L544 HydrophobicContact CD2-CD2 3.47Å; L321-L544 VanDerWaalsContact CD2-CD2 3.47Å
322E94.8Very high92.6Very high38 Ų3822.1 Ų22.118%0.17811%0.113CC..Hα-helixtrans-61.6-43.4177.7-75.2177.9169.100111.8I318 K319 S324 A325 L326 L332I318-E322 HydrophobicContact CG2-CG 4.38Å; I318-E322 WeakPolarHBondContact O-CG 3.44Å; I318-E322 PolarHBondContact O-N 3.45Å; K319-E322 WeakPolarHBondContact CD-OE2 3.19Å; K319-E322 IonicContact NZ-OE1 3.38Å; K319-E322 IonicContact NZ-OE2 3.77Å; K319-E322 PolarHBondContact NZ-OE2 3.21Å; K319-E322 PolarHBondContact O-N 2.94Å; E322-S324 VanDerWaalsContact C-N 3.28Å; E322-S324 PolarHBondContact O-N 3.01Å; E322-A325 PolarHBondContact O-N 3.04Å; E322-L326 VanDerWaalsContact O-CB 3.29Å; E322-L326 WeakPolarHBondContact O-CB 3.12Å; E322-L326 PolarHBondContact O-N 3.04Å; E322-L332 HydrophobicContact CG-CD2 3.87Å
323H94.8Very high93.6Very high2 Ų221.8 Ų21.81%0.00911%0.108CC..Hα-helixtrans-58.4-43.7174.6-60.7167.2000111.1Y251 K319 A327 S531 R532 P536Y251-H323 PolarHBondContact OH-CD2 3.33Å; Y251-H323 PolarHBondContact OH-NE2 3.05Å; Y251-H323 VanDerWaalsContact OH-NE2 3.11Å; K319-H323 PolarHBondContact O-CD2 2.95Å; K319-H323 PolarHBondContact O-N 3.07Å; K319-H323 PolarHBondContact O-ND1 2.97Å; H323-A327 PolarHBondContact O-N 2.64Å; H323-A327 VanDerWaalsContact O-N 3.1Å; H323-S531 PolarHBondContact ND1-OG 2.82Å; H323-R532 PolarHBondContact ND1-O 3.05Å; H323-P536 HydrophobicContact CB-CB 4.09Å
324S95.8Very high94.1Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-68-43.5-180-58.50000111.9A320 L321 E322 L326 A327 I328 Y540 F541A320-S324 PolarHBondContact O-N 3.31Å; A320-S324 PolarHBondContact O-OG 3.25Å; L321-S324 WeakPolarHBondContact O-CB 3.36Å; L321-S324 PolarHBondContact O-N 3.19Å; E322-S324 VanDerWaalsContact C-N 3.28Å; E322-S324 PolarHBondContact O-N 3.01Å; S324-L326 VanDerWaalsContact C-N 3.35Å; S324-A327 PolarHBondContact O-N 3.48Å; S324-I328 PolarHBondContact O-N 2.86Å; S324-Y540 WeakPolarHBondContact OG-CB 3.45Å; S324-F541 PolarHBondContact OG-N 3.2Å
325A94.8Very high94.3Very high2 Ų224.4 Ų24.42%0.01712%0.12CC..Hα-helixtrans-63.5-41.1177.600000111.5L321 E322 A327 I328 N329 H330 L332 L544L321-A325 WeakPolarHBondContact O-CB 3.47Å; L321-A325 PolarHBondContact O-N 3.21Å; E322-A325 PolarHBondContact O-N 3.04Å; A325-A327 VanDerWaalsContact C-N 3.34Å; A325-A327 PolarHBondContact O-N 3.23Å; A325-I328 CarbonylContact O-C 3.5Å; A325-I328 VanDerWaalsContact O-CG1 3.29Å; A325-I328 WeakPolarHBondContact O-CG1 3.01Å; A325-I328 PolarHBondContact O-N 3.13Å; A325-N329 PolarHBondContact O-N 3.16Å; A325-H330 CarbonylContact C-O 3.03Å; A325-H330 WeakPolarHBondContact CB-O 3.31Å; A325-H330 PolarHBondContact O-N 3.42Å; A325-L332 HydrophobicContact CB-CB 3.82Å; A325-L332 HydrophobicContact CB-CD1 4.48Å; A325-L544 HydrophobicContact CB-CD1 4.4Å
326L91.8Very high94.6Very high8 Ų827.2 Ų27.24%0.04213%0.128CC..Hα-helixtrans-64.1-38.9176-171.856.1000112.1Y251 M288 R291 L295 E322 S324 I328 N329Y251-L326 HydrophobicContact CD2-CD2 4.44Å; Y251-L326 HydrophobicContact CE2-CD2 4.07Å; M288-L326 HydrophobicContact CG-CD2 3.28Å; M288-L326 HydrophobicContact CG-CG 4.35Å; M288-L326 HydrophobicContact SD-CD2 3.99Å; R291-L326 HydrophobicContact CB-CD1 3.78Å; L295-L326 HydrophobicContact CD2-CD1 4.35Å; E322-L326 VanDerWaalsContact O-CB 3.29Å; E322-L326 WeakPolarHBondContact O-CB 3.12Å; E322-L326 PolarHBondContact O-N 3.04Å; S324-L326 VanDerWaalsContact C-N 3.35Å; L326-I328 VanDerWaalsContact C-N 3.27Å; L326-I328 PolarHBondContact O-N 3.13Å; L326-N329 PolarHBondContact O-N 3.45Å
327A91.1Very high94.6Very high16 Ų1627.4 Ų27.413%0.13213%0.129CC..Hα-helixtrans-64.7-28.7176.200000113.2H323 S324 A325 P536 F541 L561H323-A327 PolarHBondContact O-N 2.64Å; H323-A327 VanDerWaalsContact O-N 3.1Å; S324-A327 PolarHBondContact O-N 3.48Å; A325-A327 VanDerWaalsContact C-N 3.34Å; A325-A327 PolarHBondContact O-N 3.23Å; A327-P536 HydrophobicContact CB-CG 4.04Å; A327-F541 HydrophobicContact CB-CD2 4.23Å; A327-F541 HydrophobicContact CB-CE2 3.82Å; A327-L561 HydrophobicContact CB-CD1 4.43Å; A327-L561 WeakPolarHBondContact O-CD1 3.42Å
328I91.5Very high94.6Very high1 Ų128.3 Ų28.31%0.00513%0.133CC..THydrogen-bonded Turntrans-986.9175.366.8163.8000113.5S324 A325 L326 H330 F541 L544 L545 A548S324-I328 PolarHBondContact O-N 2.86Å; A325-I328 CarbonylContact O-C 3.5Å; A325-I328 VanDerWaalsContact O-CG1 3.29Å; A325-I328 WeakPolarHBondContact O-CG1 3.01Å; A325-I328 PolarHBondContact O-N 3.13Å; L326-I328 VanDerWaalsContact C-N 3.27Å; L326-I328 PolarHBondContact O-N 3.13Å; I328-H330 HydrophobicContact CD1-CB 4.07Å; I328-H330 HydrophobicContact CG1-CB 4.05Å; I328-H330 PolarHBondContact O-CE1 2.94Å; I328-H330 PolarHBondContact O-N 3.23Å; I328-H330 PolarHBondContact O-ND1 3.27Å; I328-F541 HydrophobicContact CG2-CD2 4.32Å; I328-F541 HydrophobicContact CG2-CE2 3.62Å; I328-F541 HydrophobicContact CG2-CZ 4.37Å; I328-L544 HydrophobicContact CD1-CB 4Å; I328-L544 HydrophobicContact CD1-CD1 4.29Å; I328-L545 HydrophobicContact CG2-CD2 3.74Å; I328-L545 HydrophobicContact CG2-CG 4.2Å; I328-A548 HydrophobicContact CD1-CB 4.06Å
329N91.1Very high94.7Very high41 Ų4127.7 Ų27.722%0.21913%0.13CC..THydrogen-bonded Turntrans5739-176.2-61.1-54.5000114.9L295 A325 L326 R564 D565L295-N329 VanDerWaalsContact CD2-C 3.45Å; L295-N329 HydrophobicContact CD2-CB 4.48Å; A325-N329 PolarHBondContact O-N 3.16Å; L326-N329 PolarHBondContact O-N 3.45Å; N329-R564 PolarHBondContact ND2-O 2.95Å; N329-D565 WeakPolarHBondContact ND2-CA 3.32Å; N329-D565 PolarHBondContact ND2-OD1 3.4Å
330H93.3Very high94.7Very high9 Ų926.3 Ų26.34%0.04213%0.128CC..EExtended strand (participates in β ladder)trans-112.4145174.6-70.557000112E297 C299 A325 I328 L332 R550E297-H330 CarbonylContact O-C 3.46Å; E297-H330 VanDerWaalsContact O-CA 3.24Å; E297-H330 WeakPolarHBondContact O-CA 3.18Å; E297-H330 IonicContact OE2-CE1 3.29Å; E297-H330 PolarHBondContact OE2-CE1 3.49Å; E297-H330 VanDerWaalsContact OE2-CE1 3.32Å; E297-H330 IonicContact OE2-NE2 3.98Å; E297-H330 PolarHBondContact OE2-NE2 2.9Å; C299-H330 HydrophobicContact CB-CB 4.08Å; A325-H330 CarbonylContact C-O 3.03Å; A325-H330 WeakPolarHBondContact CB-O 3.31Å; A325-H330 PolarHBondContact O-N 3.42Å; I328-H330 HydrophobicContact CD1-CB 4.07Å; I328-H330 HydrophobicContact CG1-CB 4.05Å; I328-H330 PolarHBondContact O-CE1 2.94Å; I328-H330 PolarHBondContact O-N 3.23Å; I328-H330 PolarHBondContact O-ND1 3.27Å; H330-L332 PolarHBondContact O-N 3.44Å; H330-R550 PolarHBondContact CE1-NH2 2.83Å
331K94.5Very high94.7Very high124 Ų12427.4 Ų27.454%0.53913%0.134SC..EExtended strand (participates in β ladder)trans-72.9120.2162.5-176.2174.5-179.5178.80108.4L295 E297 T298 C299L295-K331 HydrophobicContact CB-CB 4.02Å; E297-K331 PolarHBondContact O-N 3.45Å; T298-K331 CarbonylContact C-O 3.59Å; T298-K331 VanDerWaalsContact CA-O 3.31Å; T298-K331 WeakPolarHBondContact CA-O 3.37Å; C299-K331 PolarHBondContact N-O 3.5Å
332L95.6Very high94.7Very high31 Ų3127.4 Ų27.416%0.16213%0.134CC..EExtended strand (participates in β ladder)trans-75.7127.3174.8-178.169.4000110I301 L321 E322 A325 H330 I334 L544I301-L332 HydrophobicContact CG1-CD1 4.01Å; L321-L332 HydrophobicContact CB-CD1 4.19Å; L321-L332 HydrophobicContact CB-CD2 3.48Å; L321-L332 VanDerWaalsContact CB-CD2 3.48Å; E322-L332 HydrophobicContact CG-CD2 3.87Å; A325-L332 HydrophobicContact CB-CB 3.82Å; A325-L332 HydrophobicContact CB-CD1 4.48Å; H330-L332 PolarHBondContact O-N 3.44Å; L332-I334 HydrophobicContact CD1-CG1 4.4Å; L332-I334 HydrophobicContact CD2-CD1 3.65Å; L332-I334 HydrophobicContact CD2-CG1 3.72Å; L332-I334 HydrophobicContact CG-CD1 4.31Å; L332-I334 HydrophobicContact CG-CG1 3.86Å; L332-L544 HydrophobicContact CD1-CD1 4.23Å
333E96.3Very high94.8Very high89 Ų8927.7 Ų27.742%0.41614%0.135SC..EExtended strand (participates in β ladder)trans-113.3110167.8-175-170.3162.300109.3T298 C299 S300 I301 K335T298-E333 HydrophobicContact CG2-CB 3.67Å; C299-E333 PolarHBondContact O-N 2.87Å; S300-E333 CarbonylContact C-O 3.57Å; S300-E333 VanDerWaalsContact CA-O 3.27Å; S300-E333 WeakPolarHBondContact CA-O 3.47Å; I301-E333 PolarHBondContact N-O 3.43Å; E333-K335 VanDerWaalsContact OE1-CE 3.26Å; E333-K335 WeakPolarHBondContact OE1-CE 3.27Å
334I96Very high94.8Very high32 Ų3231.3 Ų31.316%0.16416%0.159CC..EExtended strand (participates in β ladder)trans-92119.4177.7-61.2161.7000109.4L303 I318 L332 Y336L303-I334 HydrophobicContact CB-CG2 3.92Å; L303-I334 HydrophobicContact CD1-CG2 4.41Å; I318-I334 HydrophobicContact CB-CD1 4.13Å; I318-I334 HydrophobicContact CG1-CD1 3.81Å; I318-I334 HydrophobicContact CG2-CD1 3.63Å; L332-I334 HydrophobicContact CD1-CG1 4.4Å; L332-I334 HydrophobicContact CD2-CD1 3.65Å; L332-I334 HydrophobicContact CD2-CG1 3.72Å; L332-I334 HydrophobicContact CG-CD1 4.31Å; L332-I334 HydrophobicContact CG-CG1 3.86Å; I334-Y336 HydrophobicContact CB-CE2 4.03Å; I334-Y336 HydrophobicContact CG2-CD1 4.08Å; I334-Y336 HydrophobicContact CG2-CD2 4.03Å; I334-Y336 HydrophobicContact CG2-CE1 3.8Å; I334-Y336 HydrophobicContact CG2-CE2 3.74Å; I334-Y336 HydrophobicContact CG2-CG 4.19Å
335K96Very high94.7Very high38 Ų3833.4 Ų33.417%0.16518%0.176CC..EExtended strand (participates in β ladder)trans-95.696.6172.6-65.6176.4-178165.50108.3S300 I301 A302 L303 E333 I337 K360 G363 A364S300-K335 PolarHBondContact OG-NZ 2.79Å; I301-K335 PolarHBondContact O-N 3.35Å; A302-K335 WeakPolarHBondContact CA-O 3.37Å; L303-K335 PolarHBondContact N-O 3.4Å; E333-K335 VanDerWaalsContact OE1-CE 3.26Å; E333-K335 WeakPolarHBondContact OE1-CE 3.27Å; K335-I337 PolarHBondContact O-N 2.97Å; K335-K360 HydrophobicContact CB-CB 4.38Å; K335-G363 PolarHBondContact NZ-O 2.92Å; K335-A364 HydrophobicContact CD-CB 4.39Å
336Y95.8Very high94.8Very high78 Ų7834 Ų3431%0.30618%0.18SC..EExtended strand (participates in β ladder)trans-70.1127.7176.4-61.5-86.4000110.7I318 I334I318-Y336 HydrophobicContact CD1-CE1 4.17Å; I318-Y336 WeakPolarHBondContact CD1-OH 3.39Å; I334-Y336 HydrophobicContact CB-CE2 4.03Å; I334-Y336 HydrophobicContact CG2-CD1 4.08Å; I334-Y336 HydrophobicContact CG2-CD2 4.03Å; I334-Y336 HydrophobicContact CG2-CE1 3.8Å; I334-Y336 HydrophobicContact CG2-CE2 3.74Å; I334-Y336 HydrophobicContact CG2-CG 4.19Å
337I96.2Very high94.9Very high3 Ų337 Ų372%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-129.6116.6179.1-61172.5000108.2A302 L303 V304 G305 T308 K335 S339 L342 A357 K360 L361A302-I337 HydrophobicContact CB-CD1 3.88Å; L303-I337 PolarHBondContact O-N 2.83Å; V304-I337 HydrophobicContact CG2-CB 4.35Å; V304-I337 HydrophobicContact CG2-CD1 4.36Å; G305-I337 PolarHBondContact N-O 3.09Å; T308-I337 WeakPolarHBondContact CG2-O 3.08Å; K335-I337 PolarHBondContact O-N 2.97Å; I337-S339 PolarHBondContact O-N 3.28Å; I337-L342 HydrophobicContact CG2-CD1 3.9Å; I337-L342 HydrophobicContact CG2-CD2 4.04Å; I337-L342 HydrophobicContact CG2-CG 3.88Å; I337-A357 HydrophobicContact CG2-CB 4Å; I337-K360 HydrophobicContact CD1-CB 3.88Å; I337-K360 HydrophobicContact CG1-CB 4Å; I337-K360 HydrophobicContact CG1-CD 4.49Å; I337-L361 HydrophobicContact CD1-CB 3.78Å; I337-L361 HydrophobicContact CD1-CD1 4.25Å
338D95.2Very high95.1Very high21 Ų2144.2 Ų44.211%0.11223%0.226CC..EExtended strand (participates in β ladder)trans-67.2122.5169.3-167.9-24.7000107.5G305 A340 D341 R376G305-D338 WeakPolarHBondContact O-CA 3.17Å; D338-A340 PolarHBondContact O-N 3.02Å; D338-A340 PolarHBondContact OD1-N 3.07Å; D338-A340 VanDerWaalsContact OD1-N 3.14Å; D338-D341 WeakPolarHBondContact O-CB 3.43Å; D338-D341 PolarHBondContact O-N 2.7Å; D338-R376 IonicContact OD1-NH1 3.6Å; D338-R376 PolarHBondContact OD1-NH1 2.88Å; D338-R376 IonicContact OD2-NH1 3.34Å
339S95.4Very high95.3Very high0 Ų051.4 Ų51.40%026%0.26CS..G310 helixtrans-65.2-25.5-175.966.70000112.6G305 I337 D341 L342 G377 G380G305-S339 PolarHBondContact O-N 3.14Å; I337-S339 PolarHBondContact O-N 3.28Å; S339-D341 PolarHBondContact O-N 2.87Å; S339-L342 PolarHBondContact O-N 3.27Å; S339-G377 VanDerWaalsContact CB-O 3.25Å; S339-G377 WeakPolarHBondContact CB-O 3.46Å; S339-G377 VanDerWaalsContact OG-CA 3.24Å; S339-G377 WeakPolarHBondContact OG-CA 3.39Å; S339-G377 PolarHBondContact OG-O 2.72Å; S339-G380 WeakPolarHBondContact O-CA 3.45Å
340A95.2Very high95.5Very high20 Ų2053.9 Ų53.917%0.16527%0.27CS..G310 helixtrans-62.1-33.3172.300000111.9D338 L342 E343 T346D338-A340 PolarHBondContact O-N 3.02Å; D338-A340 PolarHBondContact OD1-N 3.07Å; D338-A340 VanDerWaalsContact OD1-N 3.14Å; A340-L342 PolarHBondContact O-N 3.21Å; A340-L342 VanDerWaalsContact O-N 3.16Å; A340-E343 WeakPolarHBondContact O-CB 3.11Å; A340-E343 PolarHBondContact O-N 3.36Å; A340-E343 VanDerWaalsContact O-N 3.08Å; A340-T346 PolarHBondContact O-OG1 3.31Å
341D96.4Very high95.7Very high23 Ų2356.3 Ų56.312%0.12329%0.286CS..G310 helixtrans-69.8-13.9-178-66.4-11.6000112.6D338 S339 R353 Y354 A357D338-D341 WeakPolarHBondContact O-CB 3.43Å; D338-D341 PolarHBondContact O-N 2.7Å; S339-D341 PolarHBondContact O-N 2.87Å; D341-R353 IonicContact OD1-CZ 3.7Å; D341-R353 IonicContact OD1-NE 3.54Å; D341-R353 IonicContact OD1-NH1 2.73Å; D341-R353 IonicContact OD1-NH2 2.95Å; D341-R353 PolarHBondContact OD1-NH2 2.77Å; D341-R353 IonicContact OD2-CZ 3.84Å; D341-R353 IonicContact OD2-NE 2.69Å; D341-R353 PolarHBondContact OD2-NE 3.35Å; D341-R353 IonicContact OD2-NH2 3.67Å; D341-R353 PolarHBondContact OD2-NH2 2.88Å; D341-Y354 VanDerWaalsContact O-CA 3.31Å; D341-Y354 WeakPolarHBondContact O-CA 3.41Å; D341-Y354 VanDerWaalsContact O-CD2 3.25Å; D341-Y354 WeakPolarHBondContact O-CD2 3.26Å; D341-A357 HydrophobicContact CB-CB 3.84Å
342L97.1Very high95.8Very high0 Ų055.7 Ų55.70%029%0.293CS..G310 helixtrans-86.9-6.9175.5-61.6176.4000113.2V304 I337 S339 A340 Y354 A357 W358 L361 L383 A384V304-L342 HydrophobicContact CG1-CD1 3.82Å; I337-L342 HydrophobicContact CG2-CD1 3.9Å; I337-L342 HydrophobicContact CG2-CD2 4.04Å; I337-L342 HydrophobicContact CG2-CG 3.88Å; S339-L342 PolarHBondContact O-N 3.27Å; A340-L342 PolarHBondContact O-N 3.21Å; A340-L342 VanDerWaalsContact O-N 3.16Å; L342-Y354 VanDerWaalsContact O-CE2 3.31Å; L342-Y354 WeakPolarHBondContact O-CE2 3.42Å; L342-A357 HydrophobicContact CD2-CB 3.73Å; L342-A357 HydrophobicContact CG-CB 4.46Å; L342-W358 HydrophobicContact CD2-CD2 4Å; L342-W358 HydrophobicContact CD2-CG 3.95Å; L342-W358 HydrophobicContact CD2-CZ2 4.5Å; L342-W358 PolarHBondContact O-NE1 2.87Å; L342-L361 HydrophobicContact CD1-CD2 4.45Å; L342-L383 WeakPolarHBondContact O-CD1 3.42Å; L342-A384 HydrophobicContact CD1-CB 3.95Å
343E96.5Very high95.8Very high44 Ų4458.7 Ų58.721%0.20630%0.302CS..SBendtrans-80.6150.8-173.4-65.7-177.2178.200112.7A340 A345 T346 L347 Y354 G377 E379 G380A340-E343 WeakPolarHBondContact O-CB 3.11Å; A340-E343 PolarHBondContact O-N 3.36Å; A340-E343 VanDerWaalsContact O-N 3.08Å; E343-A345 PolarHBondContact O-N 3.45Å; E343-T346 PolarHBondContact O-N 3.36Å; E343-T346 VanDerWaalsContact O-N 3.12Å; E343-L347 PolarHBondContact O-N 2.98Å; E343-Y354 WeakPolarHBondContact O-CD2 3.37Å; E343-Y354 WeakPolarHBondContact O-CE2 3.23Å; E343-G377 WeakPolarHBondContact OE1-CA 3.36Å; E343-E379 HydrophobicContact CG-CB 4.44Å; E343-G380 PolarHBondContact OE1-N 3.13Å
344P95.1Very high95.9Very high78 Ų7856.3 Ų56.351%0.50629%0.29SS..Hα-helixtrans-60.1-25.7177.9-24.834.8000114.4L347 Q348P344-L347 WeakPolarHBondContact O-CB 3.4Å; P344-L347 PolarHBondContact O-N 2.93Å; P344-Q348 PolarHBondContact O-N 3.14Å
345A94.9Very high96Very high44 Ų4460.1 Ų60.136%0.36431%0.306SS..Hα-helixtrans-62.5-44.8175.300000111E343 L347 Q348 E349E343-A345 PolarHBondContact O-N 3.45Å; A345-L347 VanDerWaalsContact C-N 3.29Å; A345-L347 PolarHBondContact O-N 3.12Å; A345-Q348 WeakPolarHBondContact O-CB 3.34Å; A345-Q348 PolarHBondContact O-N 2.93Å; A345-E349 PolarHBondContact O-N 3.37Å
346T95.2Very high96Very high15 Ų1562.5 Ų62.59%0.09232%0.318CS..Hα-helixtrans-65.9-30.3178-50.20000112.5A340 E343 Q348 E349 E350 R353A340-T346 PolarHBondContact O-OG1 3.31Å; E343-T346 PolarHBondContact O-N 3.36Å; E343-T346 VanDerWaalsContact O-N 3.12Å; T346-Q348 PolarHBondContact O-N 3.49Å; T346-E349 PolarHBondContact O-N 2.94Å; T346-E350 HydrophobicContact CG2-CB 4.12Å; T346-E350 CarbonylContact O-C 3.58Å; T346-E350 WeakPolarHBondContact O-CA 3.19Å; T346-E350 PolarHBondContact O-N 3.35Å; T346-R353 HydrophobicContact CG2-CB 4.41Å
347L95.3Very high96.1Very high70 Ų7059 Ų5937%0.36631%0.306SS..Hα-helixtrans-60.3-34.5171.9177.161.4000112E343 P344 A345 P351 Y354E343-L347 PolarHBondContact O-N 2.98Å; P344-L347 WeakPolarHBondContact O-CB 3.4Å; P344-L347 PolarHBondContact O-N 2.93Å; A345-L347 VanDerWaalsContact C-N 3.29Å; A345-L347 PolarHBondContact O-N 3.12Å; L347-P351 HydrophobicContact CD1-CB 4.46Å; L347-Y354 HydrophobicContact CB-CD1 4.08Å; L347-Y354 HydrophobicContact CB-CD2 3.82Å; L347-Y354 HydrophobicContact CB-CE1 4.23Å; L347-Y354 HydrophobicContact CB-CE2 3.96Å; L347-Y354 HydrophobicContact CB-CG 3.87Å; L347-Y354 HydrophobicContact CD1-CD1 3.63Å; L347-Y354 HydrophobicContact CD1-CE1 3.88Å; L347-Y354 HydrophobicContact CD1-CG 4.17Å; L347-Y354 HydrophobicContact CD2-CE1 4.27Å; L347-Y354 HydrophobicContact CG-CD1 4.34Å; L347-Y354 HydrophobicContact CG-CE1 4.35Å
348Q94.6Very high96.2Very high167 Ų16761.1 Ų61.178%0.7831%0.313SS*.Hα-helixtrans-81.5-40.9179.3-60.9177.323.500111.9P344 A345 T346P344-Q348 PolarHBondContact O-N 3.14Å; A345-Q348 WeakPolarHBondContact O-CB 3.34Å; A345-Q348 PolarHBondContact O-N 2.93Å; T346-Q348 PolarHBondContact O-N 3.49Å
349E95.9Very high96.3Very high152 Ų15267.1 Ų67.171%0.7134%0.341SS*.Hα-helixtrans-85.5-46.6-174-65.2177.3-175.900113A345 T346A345-E349 PolarHBondContact O-N 3.37Å; T346-E349 PolarHBondContact O-N 2.94Å
350E96.1Very high96.4Very high94 Ų9470.7 Ų70.744%0.43936%0.356SS..  trans-139.366.5-172.5-60.7-168.9139.500111.5T346 V352 R353 Y354T346-E350 HydrophobicContact CG2-CB 4.12Å; T346-E350 CarbonylContact O-C 3.58Å; T346-E350 WeakPolarHBondContact O-CA 3.19Å; T346-E350 PolarHBondContact O-N 3.35Å; E350-V352 PolarHBondContact O-N 3.07Å; E350-R353 HydrophobicContact CB-CB 4.47Å; E350-R353 PolarHBondContact O-N 3.45Å; E350-R353 WeakPolarHBondContact OE2-CD 3.48Å; E350-R353 IonicContact OE2-CZ 3.69Å; E350-R353 IonicContact OE2-NE 2.85Å; E350-R353 IonicContact OE2-NH1 3.52Å; E350-R353 PolarHBondContact OE2-NH1 3.06Å; E350-Y354 PolarHBondContact O-N 2.72Å
351P96.1Very high96.6Very high59 Ų5969.7 Ų69.738%0.38335%0.348SS..Hα-helixtrans-58.7-28.2-170.820.5-33.3000114.4L347 Y354 H355L347-P351 HydrophobicContact CD1-CB 4.46Å; P351-Y354 PolarHBondContact O-N 3.35Å; P351-H355 PolarHBondContact O-CD2 3.36Å; P351-H355 PolarHBondContact O-N 3.45Å
352V97.1Very high96.6Very high112 Ų11271.5 Ų71.568%0.67936%0.362SS*.Hα-helixtrans-61.6-48176.9178.10000110.9E350 Y354 H355 E356E350-V352 PolarHBondContact O-N 3.07Å; V352-Y354 VanDerWaalsContact C-N 3.34Å; V352-H355 PolarHBondContact O-N 3.14Å; V352-E356 WeakPolarHBondContact O-CB 3.46Å; V352-E356 PolarHBondContact O-N 3.17Å
353R95.5Very high96.6Very high94 Ų9473.5 Ų73.536%0.35538%0.382SS..Hα-helixtrans-66.3-40179.6-71.3-179.766.8-169.4-2.2111.4D341 T346 E350 E356 A357D341-R353 IonicContact OD1-CZ 3.7Å; D341-R353 IonicContact OD1-NE 3.54Å; D341-R353 IonicContact OD1-NH1 2.73Å; D341-R353 IonicContact OD1-NH2 2.95Å; D341-R353 PolarHBondContact OD1-NH2 2.77Å; D341-R353 IonicContact OD2-CZ 3.84Å; D341-R353 IonicContact OD2-NE 2.69Å; D341-R353 PolarHBondContact OD2-NE 3.35Å; D341-R353 IonicContact OD2-NH2 3.67Å; D341-R353 PolarHBondContact OD2-NH2 2.88Å; T346-R353 HydrophobicContact CG2-CB 4.41Å; E350-R353 HydrophobicContact CB-CB 4.47Å; E350-R353 PolarHBondContact O-N 3.45Å; E350-R353 WeakPolarHBondContact OE2-CD 3.48Å; E350-R353 IonicContact OE2-CZ 3.69Å; E350-R353 IonicContact OE2-NE 2.85Å; E350-R353 IonicContact OE2-NH1 3.52Å; E350-R353 PolarHBondContact OE2-NH1 3.06Å; R353-E356 PolarHBondContact O-N 3.07Å; R353-A357 WeakPolarHBondContact O-CB 3.41Å; R353-A357 PolarHBondContact O-N 3.43Å
354Y97.9Very high96.7Very high38 Ų3871.4 Ų71.415%0.14937%0.373CS..Hα-helixtrans-57.2-52.9175.3179.7-88.5000111.9D341 L342 E343 L347 E350 P351 V352 E356 A357 W358D341-Y354 VanDerWaalsContact O-CA 3.31Å; D341-Y354 WeakPolarHBondContact O-CA 3.41Å; D341-Y354 VanDerWaalsContact O-CD2 3.25Å; D341-Y354 WeakPolarHBondContact O-CD2 3.26Å; L342-Y354 VanDerWaalsContact O-CE2 3.31Å; L342-Y354 WeakPolarHBondContact O-CE2 3.42Å; E343-Y354 WeakPolarHBondContact O-CD2 3.37Å; E343-Y354 WeakPolarHBondContact O-CE2 3.23Å; L347-Y354 HydrophobicContact CB-CD1 4.08Å; L347-Y354 HydrophobicContact CB-CD2 3.82Å; L347-Y354 HydrophobicContact CB-CE1 4.23Å; L347-Y354 HydrophobicContact CB-CE2 3.96Å; L347-Y354 HydrophobicContact CB-CG 3.87Å; L347-Y354 HydrophobicContact CD1-CD1 3.63Å; L347-Y354 HydrophobicContact CD1-CE1 3.88Å; L347-Y354 HydrophobicContact CD1-CG 4.17Å; L347-Y354 HydrophobicContact CD2-CE1 4.27Å; L347-Y354 HydrophobicContact CG-CD1 4.34Å; L347-Y354 HydrophobicContact CG-CE1 4.35Å; E350-Y354 PolarHBondContact O-N 2.72Å; P351-Y354 PolarHBondContact O-N 3.35Å; V352-Y354 VanDerWaalsContact C-N 3.34Å; Y354-E356 PolarHBondContact O-N 2.92Å; Y354-A357 PolarHBondContact O-N 2.91Å; Y354-W358 AromaticContact CD1-CD1 3.79Å; Y354-W358 AromaticContact CD2-NE1 3.98Å; Y354-W358 AromaticContact CE1-CD1 3.45Å; Y354-W358 VanDerWaalsContact CE1-CD1 3.45Å; Y354-W358 HydrophobicContact CE1-CG 4.38Å; Y354-W358 AromaticContact CE1-NE1 3.72Å; Y354-W358 AromaticContact CE2-CD1 3.71Å; Y354-W358 AromaticContact CE2-NE1 3.3Å; Y354-W358 VanDerWaalsContact CE2-NE1 3.3Å; Y354-W358 AromaticContact CZ-CD1 3.41Å; Y354-W358 VanDerWaalsContact CZ-CD1 3.41Å; Y354-W358 AromaticContact CZ-NE1 3.14Å; Y354-W358 VanDerWaalsContact O-CD1 3.28Å; Y354-W358 PolarHBondContact O-N 3.16Å; Y354-W358 PolarHBondContact OH-NE1 2.96Å
355H97.7Very high96.9Very high112 Ų11270.5 Ų70.552%0.51936%0.363SS..Hα-helixtrans-67-35.3-179.3-70.9-54.6000112.9P351 V352 W358 Q359P351-H355 PolarHBondContact O-CD2 3.36Å; P351-H355 PolarHBondContact O-N 3.45Å; V352-H355 PolarHBondContact O-N 3.14Å; H355-W358 PolarHBondContact O-N 2.92Å; H355-Q359 VanDerWaalsContact O-CB 3.27Å; H355-Q359 WeakPolarHBondContact O-CB 3.4Å; H355-Q359 PolarHBondContact O-N 3Å
356E97.4Very high97Very high88 Ų8868.4 Ų68.441%0.41135%0.346SS..Hα-helixtrans-64.3-43.4175-168-168.9156.200111.8V352 R353 Y354 Q359 K360V352-E356 WeakPolarHBondContact O-CB 3.46Å; V352-E356 PolarHBondContact O-N 3.17Å; R353-E356 PolarHBondContact O-N 3.07Å; Y354-E356 PolarHBondContact O-N 2.92Å; E356-Q359 PolarHBondContact O-N 2.89Å; E356-K360 WeakPolarHBondContact O-CG 3.47Å; E356-K360 PolarHBondContact O-N 3.09Å; E356-K360 VanDerWaalsContact OE1-CE 3.22Å; E356-K360 WeakPolarHBondContact OE1-CE 3.29Å; E356-K360 IonicContact OE1-NZ 3.23Å; E356-K360 PolarHBondContact OE1-NZ 3.11Å
357A97.3Very high97.2Very high5 Ų567.7 Ų67.74%0.04134%0.342CS..Hα-helixtrans-61-47.8176.500000111.5I337 D341 L342 R353 Y354 Q359 K360 L361I337-A357 HydrophobicContact CG2-CB 4Å; D341-A357 HydrophobicContact CB-CB 3.84Å; L342-A357 HydrophobicContact CD2-CB 3.73Å; L342-A357 HydrophobicContact CG-CB 4.46Å; R353-A357 WeakPolarHBondContact O-CB 3.41Å; R353-A357 PolarHBondContact O-N 3.43Å; Y354-A357 PolarHBondContact O-N 2.91Å; A357-Q359 PolarHBondContact O-N 3Å; A357-K360 PolarHBondContact O-N 3.09Å; A357-L361 PolarHBondContact O-N 3.26Å
358W98.2Very high97.3Very high48 Ų4864.4 Ų64.418%0.18233%0.325CS..Hα-helixtrans-65.4-36.3176-83.198.9000113L342 Y354 H355 L361 C362 L383 W387L342-W358 HydrophobicContact CD2-CD2 4Å; L342-W358 HydrophobicContact CD2-CG 3.95Å; L342-W358 HydrophobicContact CD2-CZ2 4.5Å; L342-W358 PolarHBondContact O-NE1 2.87Å; Y354-W358 AromaticContact CD1-CD1 3.79Å; Y354-W358 AromaticContact CD2-NE1 3.98Å; Y354-W358 AromaticContact CE1-CD1 3.45Å; Y354-W358 VanDerWaalsContact CE1-CD1 3.45Å; Y354-W358 HydrophobicContact CE1-CG 4.38Å; Y354-W358 AromaticContact CE1-NE1 3.72Å; Y354-W358 AromaticContact CE2-CD1 3.71Å; Y354-W358 AromaticContact CE2-NE1 3.3Å; Y354-W358 VanDerWaalsContact CE2-NE1 3.3Å; Y354-W358 AromaticContact CZ-CD1 3.41Å; Y354-W358 VanDerWaalsContact CZ-CD1 3.41Å; Y354-W358 AromaticContact CZ-NE1 3.14Å; Y354-W358 VanDerWaalsContact O-CD1 3.28Å; Y354-W358 PolarHBondContact O-N 3.16Å; Y354-W358 PolarHBondContact OH-NE1 2.96Å; H355-W358 PolarHBondContact O-N 2.92Å; W358-L361 HydrophobicContact CE3-CD2 3.92Å; W358-L361 HydrophobicContact CH2-CD2 4.4Å; W358-L361 HydrophobicContact CZ3-CD2 3.77Å; W358-L361 PolarHBondContact O-N 3.29Å; W358-C362 WeakPolarHBondContact O-CB 3.44Å; W358-C362 PolarHBondContact O-N 3.18Å; W358-C362 PolarHBondContact O-SG 3.18Å; W358-L383 HydrophobicContact CH2-CB 4.24Å; W358-L383 HydrophobicContact CZ2-CB 4.1Å; W358-W387 HydrophobicContact CH2-CB 4.38Å; W358-W387 HydrophobicContact CZ3-CB 4.02Å; W358-W387 AromaticContact CZ3-CD1 3.86Å; W358-W387 AromaticContact CZ3-CG 3.96Å; W358-W387 HydrophobicContact CZ3-CG 3.96Å
359Q98.1Very high97.5Very high147 Ų14756.4 Ų56.469%0.68729%0.287SS*.Hα-helixtrans-62.4-43.8174.8-176.9-178.3-3.400111.4H355 E356 A357 C362 G363H355-Q359 VanDerWaalsContact O-CB 3.27Å; H355-Q359 WeakPolarHBondContact O-CB 3.4Å; H355-Q359 PolarHBondContact O-N 3Å; E356-Q359 PolarHBondContact O-N 2.89Å; A357-Q359 PolarHBondContact O-N 3Å; Q359-C362 PolarHBondContact O-N 2.85Å; Q359-G363 PolarHBondContact O-N 3.34Å
360K97.9Very high97.5Very high74 Ų7449.3 Ų49.332%0.32225%0.254SS..Hα-helixtrans-61.2-44.5175.1-73.8172.2-174165.90111.6K335 I337 E356 A357 G363 A364K335-K360 HydrophobicContact CB-CB 4.38Å; I337-K360 HydrophobicContact CD1-CB 3.88Å; I337-K360 HydrophobicContact CG1-CB 4Å; I337-K360 HydrophobicContact CG1-CD 4.49Å; E356-K360 WeakPolarHBondContact O-CG 3.47Å; E356-K360 PolarHBondContact O-N 3.09Å; E356-K360 VanDerWaalsContact OE1-CE 3.22Å; E356-K360 WeakPolarHBondContact OE1-CE 3.29Å; E356-K360 IonicContact OE1-NZ 3.23Å; E356-K360 PolarHBondContact OE1-NZ 3.11Å; A357-K360 PolarHBondContact O-N 3.09Å; K360-G363 PolarHBondContact O-N 3.07Å; K360-A364 PolarHBondContact O-N 2.77Å
361L98.2Very high97.1Very high0 Ų045.5 Ų45.50%024%0.241CC..Hα-helixtrans-61.8-50.2178.2-174.563.1000111.3A302 V304 I337 L342 A357 W358 G363 A364 V367 A384 W387A302-L361 HydrophobicContact CB-CD1 3.87Å; V304-L361 HydrophobicContact CG2-CD1 4.1Å; I337-L361 HydrophobicContact CD1-CB 3.78Å; I337-L361 HydrophobicContact CD1-CD1 4.25Å; L342-L361 HydrophobicContact CD1-CD2 4.45Å; A357-L361 PolarHBondContact O-N 3.26Å; W358-L361 HydrophobicContact CE3-CD2 3.92Å; W358-L361 HydrophobicContact CH2-CD2 4.4Å; W358-L361 HydrophobicContact CZ3-CD2 3.77Å; W358-L361 PolarHBondContact O-N 3.29Å; L361-G363 VanDerWaalsContact C-N 3.29Å; L361-G363 PolarHBondContact O-N 3.34Å; L361-A364 WeakPolarHBondContact O-CB 3.49Å; L361-A364 PolarHBondContact O-N 3.08Å; L361-A364 VanDerWaalsContact O-N 3.16Å; L361-V367 HydrophobicContact CD1-CG1 4.13Å; L361-V367 HydrophobicContact CD1-CG2 3.77Å; L361-A384 HydrophobicContact CD1-CB 4.43Å; L361-A384 HydrophobicContact CD2-CB 3.98Å; L361-W387 HydrophobicContact CD1-CE3 4.22Å; L361-W387 HydrophobicContact CD1-CZ3 4.25Å; L361-W387 HydrophobicContact CD2-CD2 4.28Å; L361-W387 HydrophobicContact CD2-CE3 4.11Å; L361-W387 HydrophobicContact CD2-CG 4.46Å; L361-W387 HydrophobicContact CG-CD2 4.3Å; L361-W387 HydrophobicContact CG-CE3 3.83Å; L361-W387 HydrophobicContact CG-CZ3 3.99Å; L361-W387 WeakPolarHBondContact O-CH2 3.43Å
362C97.7Very high96.6Very high61 Ų6143.1 Ų43.141%0.41223%0.227SC..Hα-helixtrans-63-35.4-179.5-72.20000113.1W358 Q359 A364 W387W358-C362 WeakPolarHBondContact O-CB 3.44Å; W358-C362 PolarHBondContact O-N 3.18Å; W358-C362 PolarHBondContact O-SG 3.18Å; Q359-C362 PolarHBondContact O-N 2.85Å; C362-A364 VanDerWaalsContact C-N 3.3Å; C362-A364 PolarHBondContact O-N 2.64Å; C362-W387 HydrophobicContact CB-CZ2 4.14Å
363G97Very high95.8Very high41 Ų4141.9 Ų41.942%0.42321%0.212SC..THydrogen-bonded Turntrans-81.70.6178.200000114.8K335 Q359 K360 L361K335-G363 PolarHBondContact NZ-O 2.92Å; Q359-G363 PolarHBondContact O-N 3.34Å; K360-G363 PolarHBondContact O-N 3.07Å; L361-G363 VanDerWaalsContact C-N 3.29Å; L361-G363 PolarHBondContact O-N 3.34Å
364A97.9Very high95.2Very high1 Ų138.7 Ų38.71%0.00821%0.209CC..  trans-87152.2178.500000112.6A302 K335 K360 L361 C362 K393A302-A364 HydrophobicContact CB-CB 3.55Å; K335-A364 HydrophobicContact CD-CB 4.39Å; K360-A364 PolarHBondContact O-N 2.77Å; L361-A364 WeakPolarHBondContact O-CB 3.49Å; L361-A364 PolarHBondContact O-N 3.08Å; L361-A364 VanDerWaalsContact O-N 3.16Å; C362-A364 VanDerWaalsContact C-N 3.3Å; C362-A364 PolarHBondContact O-N 2.64Å; A364-K393 PolarHBondContact O-NZ 3.37Å
365D98.1Very high94.6Very high58 Ų5841.7 Ų41.731%0.3123%0.231SC..SBendtrans-85.3-29.4178.4-54.7-55.6000111.6S300 P394S300-D365 WeakPolarHBondContact CB-OD2 3.21Å; S300-D365 PolarHBondContact N-OD2 2.92Å; S300-D365 WeakPolarHBondContact O-CA 3.5Å; S300-D365 WeakPolarHBondContact O-CB 3.21Å; S300-D365 PolarHBondContact O-N 2.87Å; S300-D365 PolarHBondContact OG-N 3.44Å; S300-D365 PolarHBondContact OG-OD2 2.9Å; D365-P394 WeakPolarHBondContact O-CD 3.14Å
366G98.3Very high94.1Very high0 Ų040.7 Ų40.70%022%0.223CC..EExtended strand (participates in β ladder)trans-144.7161.8173.100000112.7S300 I301 A302 P394S300-G366 PolarHBondContact O-N 3.06Å; I301-G366 WeakPolarHBondContact CA-O 3.45Å; A302-G366 PolarHBondContact N-O 3.45Å; G366-P394 CarbonylContact C-O 3.53Å; G366-P394 WeakPolarHBondContact CA-O 3.13Å
367V98.8Very high93.8Very high1 Ų136.6 Ų36.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-121.1132.5-178.4-177.50000109.8V304 L361 W387 A388 P394 F395 L396V304-V367 HydrophobicContact CG2-CG1 4.24Å; L361-V367 HydrophobicContact CD1-CG1 4.13Å; L361-V367 HydrophobicContact CD1-CG2 3.77Å; V367-W387 HydrophobicContact CG2-CE3 4.29Å; V367-W387 HydrophobicContact CG2-CZ3 3.89Å; V367-A388 HydrophobicContact CB-CB 4.26Å; V367-A388 HydrophobicContact CG2-CB 4.11Å; V367-P394 PolarHBondContact N-O 3.28Å; V367-F395 HydrophobicContact CB-CD2 4.15Å; V367-F395 HydrophobicContact CG1-CD2 4.07Å; V367-F395 HydrophobicContact CG1-CE2 4.45Å; V367-F395 WeakPolarHBondContact O-CA 3.25Å; V367-L396 PolarHBondContact O-N 3.49Å
368L98.6Very high93.6Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-124.3125.4175.8175.266.8000109.7I301 A302 L303 V304 V317 L321 L396 V398 Y540 L543I301-L368 HydrophobicContact CG2-CB 4.07Å; A302-L368 PolarHBondContact O-N 3.12Å; L303-L368 HydrophobicContact CD1-CD2 4.39Å; L303-L368 HydrophobicContact CG-CD2 4.46Å; V304-L368 PolarHBondContact N-O 3.03Å; V317-L368 HydrophobicContact CG1-CD2 3.4Å; L321-L368 HydrophobicContact CD1-CD2 3.89Å; L321-L368 HydrophobicContact CD2-CD2 4.44Å; L321-L368 HydrophobicContact CG-CD2 4.45Å; L368-L396 WeakPolarHBondContact CA-O 3.09Å; L368-L396 HydrophobicContact CD1-CB 3.88Å; L368-L396 HydrophobicContact CD1-CD2 3.93Å; L368-L396 HydrophobicContact CD1-CG 3.89Å; L368-L396 WeakPolarHBondContact CD1-O 3.26Å; L368-V398 HydrophobicContact CD1-CG2 4.15Å; L368-Y540 HydrophobicContact CD1-CE1 4.11Å; L368-Y540 HydrophobicContact CD2-CE1 3.88Å; L368-L543 HydrophobicContact CB-CD2 4.36Å
369V98.2Very high93.4Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-111.7105.1169.4178.10000108V304 K381 I385 F395 L396 V398V304-V369 HydrophobicContact CB-CG2 4.2Å; V369-K381 HydrophobicContact CG1-CB 4.26Å; V369-K381 HydrophobicContact CG1-CD 3.89Å; V369-K381 HydrophobicContact CG1-CG 4.04Å; V369-I385 HydrophobicContact CG2-CD1 4.42Å; V369-I385 HydrophobicContact CG2-CG1 4.07Å; V369-F395 HydrophobicContact CB-CE2 4.12Å; V369-F395 HydrophobicContact CB-CZ 4.35Å; V369-F395 HydrophobicContact CG2-CE2 3.76Å; V369-F395 HydrophobicContact CG2-CZ 4.36Å; V369-L396 PolarHBondContact N-O 3.07Å; V369-V398 PolarHBondContact O-N 2.97Å
370P95.3Very high93.4Very high2 Ų231 Ų311%0.01318%0.179CC..  trans-76.9177.5-179.633.7-35.9000111.9L303 V304 Y314 V317 V398L303-P370 HydrophobicContact CD2-CG 4.1Å; V304-P370 WeakPolarHBondContact O-CD 3.35Å; Y314-P370 HydrophobicContact CD1-CB 4.06Å; Y314-P370 HydrophobicContact CD1-CG 3.9Å; Y314-P370 HydrophobicContact CE1-CB 3.78Å; Y314-P370 HydrophobicContact CE1-CG 3.33Å; V317-P370 HydrophobicContact CG2-CB 4.43Å; P370-V398 CarbonylContact C-O 3.59Å
371G87.7Confident93.4Very high15 Ų1527.6 Ų27.616%0.15516%0.164CC..  trans-58.2161.7171.400000113.4V398G371-V398 WeakPolarHBondContact CA-O 3.45Å; G371-V398 PolarHBondContact N-O 2.85Å; G371-V398 VanDerWaalsContact N-O 3.16Å
372G85.2Confident93.3Very high9 Ų928.1 Ų28.19%0.09317%0.167CC..  trans-178.2174.4176.500000112L400G372-L400 WeakPolarHBondContact O-CD2 3.15Å
373F80.3Confident93.4Very high85 Ų8528 Ų2837%0.37316%0.163SC..  trans-137.1146.9-178.2-59.2-82.1000111.6K306 R479K306-F373 PolarHBondContact NZ-O 3.19Å; F373-R479 VanDerWaalsContact CE2-NH1 3.33Å
374G82.9Confident93.4Very high28 Ų2826.1 Ų26.129%0.28914%0.142SC..SBendtrans76.5173.1175.700000114.5R376 E423G374-R376 PolarHBondContact O-N 3.38Å; G374-E423 PolarHBondContact N-OE1 3.31Å
375V86.1Confident93.5Very high100 Ų10026 Ų2661%0.60614%0.142SC*.SBendtrans-74-21.4-166.6-64.20000115.8G377 T378 F424V375-G377 PolarHBondContact O-N 3.4Å; V375-T378 WeakPolarHBondContact O-CB 3.38Å; V375-T378 PolarHBondContact O-N 2.88Å; V375-T378 PolarHBondContact O-OG1 2.85Å; V375-F424 HydrophobicContact CB-CD1 4.47Å; V375-F424 HydrophobicContact CG1-CB 4.2Å; V375-F424 HydrophobicContact CG1-CD1 3.77Å; V375-F424 HydrophobicContact CG1-CG 4.4Å
376R87.8Confident93.5Very high92 Ų9223.9 Ų23.935%0.34713%0.132SC..THydrogen-bonded Turntrans-66.9125.5-171.8-177.1177.780.580.8-8.3111Y53 K306 D338 G374 T378Y53-R376 PolarHBondContact OH-NH2 2.92Å; K306-R376 VanDerWaalsContact CG-CZ 3.47Å; K306-R376 PolarHBondContact O-NH2 3.02Å; D338-R376 IonicContact OD1-NH1 3.6Å; D338-R376 PolarHBondContact OD1-NH1 2.88Å; D338-R376 IonicContact OD2-NH1 3.34Å; G374-R376 PolarHBondContact O-N 3.38Å; R376-T378 VanDerWaalsContact C-N 3.26Å; R376-T378 PolarHBondContact O-N 3.17Å
377G89.4Confident93.5Very high2 Ų225.8 Ų25.82%0.02114%0.139CC..THydrogen-bonded Turntrans76.91217400000113.5S339 E343 V375 K381S339-G377 VanDerWaalsContact CB-O 3.25Å; S339-G377 WeakPolarHBondContact CB-O 3.46Å; S339-G377 VanDerWaalsContact OG-CA 3.24Å; S339-G377 WeakPolarHBondContact OG-CA 3.39Å; S339-G377 PolarHBondContact OG-O 2.72Å; E343-G377 WeakPolarHBondContact OE1-CA 3.36Å; V375-G377 PolarHBondContact O-N 3.4Å; G377-K381 WeakPolarHBondContact O-CG 3.44Å; G377-K381 PolarHBondContact O-N 3.22Å
378T93.6Very high93.5Very high5 Ų525.8 Ų25.83%0.03114%0.138CC..Hα-helixtrans-69.3-44.8-179.5-66.70000111.5V375 R376 G380 K381 I382 L404 F424V375-T378 WeakPolarHBondContact O-CB 3.38Å; V375-T378 PolarHBondContact O-N 2.88Å; V375-T378 PolarHBondContact O-OG1 2.85Å; R376-T378 VanDerWaalsContact C-N 3.26Å; R376-T378 PolarHBondContact O-N 3.17Å; T378-G380 VanDerWaalsContact C-N 3.35Å; T378-G380 PolarHBondContact O-N 2.85Å; T378-K381 WeakPolarHBondContact O-CB 3.41Å; T378-K381 PolarHBondContact O-N 2.95Å; T378-I382 HydrophobicContact CG2-CD1 4.17Å; T378-I382 WeakPolarHBondContact O-CG1 3.39Å; T378-I382 PolarHBondContact O-N 3.17Å; T378-I382 VanDerWaalsContact O-N 3.08Å; T378-L404 HydrophobicContact CG2-CD1 4.11Å; T378-L404 HydrophobicContact CG2-CD2 3.56Å; T378-F424 HydrophobicContact CG2-CD2 3.96Å; T378-F424 HydrophobicContact CG2-CE2 3.88Å; T378-F424 HydrophobicContact CG2-CZ 4.39Å
379E95.3Very high93.5Very high77 Ų7727.9 Ų27.936%0.3615%0.146SC..Hα-helixtrans-66.4-38.2-179.4-69.9-60.5145.600111.6E343 K381 I382 L383 R411E343-E379 HydrophobicContact CG-CB 4.44Å; E379-K381 VanDerWaalsContact C-N 3.31Å; E379-K381 PolarHBondContact O-N 2.92Å; E379-I382 PolarHBondContact O-N 2.9Å; E379-L383 WeakPolarHBondContact O-CG 3.11Å; E379-L383 PolarHBondContact O-N 3.12Å; E379-R411 VanDerWaalsContact CD-NH1 3.3Å; E379-R411 IonicContact OE1-CZ 2.7Å; E379-R411 IonicContact OE1-NH1 2.63Å; E379-R411 PolarHBondContact OE1-NH1 3.48Å; E379-R411 IonicContact OE1-NH2 3.73Å; E379-R411 PolarHBondContact OE1-NH2 3.34Å; E379-R411 IonicContact OE2-NH1 3.42Å; E379-R411 PolarHBondContact OE2-NH1 3.44Å
380G96.8Very high93.4Very high0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-62-35.4173.800000113.9S339 E343 T378 L383 A384S339-G380 WeakPolarHBondContact O-CA 3.45Å; E343-G380 PolarHBondContact OE1-N 3.13Å; T378-G380 VanDerWaalsContact C-N 3.35Å; T378-G380 PolarHBondContact O-N 2.85Å; G380-L383 PolarHBondContact O-N 3.04Å; G380-A384 PolarHBondContact O-N 3.01Å; G380-A384 VanDerWaalsContact O-N 3.09Å
381K97.6Very high93.6Very high2 Ų239.3 Ų39.31%0.00920%0.198CC..Hα-helixtrans-66.2-44.1172.3-70.2168.2-173167.20111.5V304 V369 G377 T378 E379 L383 A384 I385 L404V304-K381 HydrophobicContact CG1-CG 4.16Å; V369-K381 HydrophobicContact CG1-CB 4.26Å; V369-K381 HydrophobicContact CG1-CD 3.89Å; V369-K381 HydrophobicContact CG1-CG 4.04Å; G377-K381 WeakPolarHBondContact O-CG 3.44Å; G377-K381 PolarHBondContact O-N 3.22Å; T378-K381 WeakPolarHBondContact O-CB 3.41Å; T378-K381 PolarHBondContact O-N 2.95Å; E379-K381 VanDerWaalsContact C-N 3.31Å; E379-K381 PolarHBondContact O-N 2.92Å; K381-L383 VanDerWaalsContact C-N 3.26Å; K381-L383 PolarHBondContact O-N 3.45Å; K381-A384 WeakPolarHBondContact O-CB 3.49Å; K381-A384 PolarHBondContact O-N 2.85Å; K381-A384 VanDerWaalsContact O-N 3.12Å; K381-I385 VanDerWaalsContact O-CG1 3.25Å; K381-I385 WeakPolarHBondContact O-CG1 3.47Å; K381-I385 PolarHBondContact O-N 2.76Å; K381-L404 HydrophobicContact CB-CD1 3.67Å; K381-L404 HydrophobicContact CD-CD1 3.63Å; K381-L404 HydrophobicContact CG-CD1 4.32Å
382I97.8Very high94Very high11 Ų1144.1 Ų44.16%0.05621%0.214CC..Hα-helixtrans-57.9-42.2176.8-67.9169.4000110.3T378 E379 I385 S386 L404 V407 E408T378-I382 HydrophobicContact CG2-CD1 4.17Å; T378-I382 WeakPolarHBondContact O-CG1 3.39Å; T378-I382 PolarHBondContact O-N 3.17Å; T378-I382 VanDerWaalsContact O-N 3.08Å; E379-I382 PolarHBondContact O-N 2.9Å; I382-I385 PolarHBondContact O-N 2.9Å; I382-S386 WeakPolarHBondContact O-CB 3.31Å; I382-S386 PolarHBondContact O-N 2.73Å; I382-L404 HydrophobicContact CD1-CD2 4.3Å; I382-L404 HydrophobicContact CG1-CB 4.28Å; I382-L404 HydrophobicContact CG1-CD2 4.22Å; I382-V407 HydrophobicContact CD1-CG1 3.9Å; I382-E408 HydrophobicContact CG2-CB 4Å; I382-E408 HydrophobicContact CG2-CG 4.04Å
383L98.1Very high94.7Very high60 Ų6046.4 Ų46.431%0.31422%0.222SC..Hα-helixtrans-62.1-43175.3-68.8172000112.5L342 W358 E379 G380 K381 S386 W387L342-L383 WeakPolarHBondContact O-CD1 3.42Å; W358-L383 HydrophobicContact CH2-CB 4.24Å; W358-L383 HydrophobicContact CZ2-CB 4.1Å; E379-L383 WeakPolarHBondContact O-CG 3.11Å; E379-L383 PolarHBondContact O-N 3.12Å; G380-L383 PolarHBondContact O-N 3.04Å; K381-L383 VanDerWaalsContact C-N 3.26Å; K381-L383 PolarHBondContact O-N 3.45Å; L383-S386 PolarHBondContact O-N 3.43Å; L383-W387 WeakPolarHBondContact O-CB 3.43Å; L383-W387 PolarHBondContact O-N 3.25Å
384A98.4Very high95.5Very high0 Ų042.9 Ų42.90%021%0.207CC..Hα-helixtrans-63.3-41.6176.400000112.4V304 L342 L361 G380 K381 W387 A388V304-A384 HydrophobicContact CG1-CB 4.14Å; V304-A384 HydrophobicContact CG2-CB 4.06Å; L342-A384 HydrophobicContact CD1-CB 3.95Å; L361-A384 HydrophobicContact CD1-CB 4.43Å; L361-A384 HydrophobicContact CD2-CB 3.98Å; G380-A384 PolarHBondContact O-N 3.01Å; G380-A384 VanDerWaalsContact O-N 3.09Å; K381-A384 WeakPolarHBondContact O-CB 3.49Å; K381-A384 PolarHBondContact O-N 2.85Å; K381-A384 VanDerWaalsContact O-N 3.12Å; A384-W387 PolarHBondContact O-N 3.13Å; A384-A388 PolarHBondContact O-N 3.14Å
385I98.6Very high96.3Very high0 Ų041.5 Ų41.50%019%0.194CC..Hα-helixtrans-64.1-44.7176.7-62.7164.8000110.5V369 K381 I382 W387 A388 R389 F395 L404 A405 E408 F520V369-I385 HydrophobicContact CG2-CD1 4.42Å; V369-I385 HydrophobicContact CG2-CG1 4.07Å; K381-I385 VanDerWaalsContact O-CG1 3.25Å; K381-I385 WeakPolarHBondContact O-CG1 3.47Å; K381-I385 PolarHBondContact O-N 2.76Å; I382-I385 PolarHBondContact O-N 2.9Å; I385-W387 VanDerWaalsContact C-N 3.29Å; I385-W387 PolarHBondContact O-N 3.43Å; I385-A388 PolarHBondContact O-N 3.26Å; I385-R389 PolarHBondContact O-N 3.18Å; I385-F395 HydrophobicContact CD1-CZ 4.13Å; I385-F395 HydrophobicContact CG1-CE2 3.67Å; I385-F395 HydrophobicContact CG1-CZ 3.69Å; I385-F395 HydrophobicContact CG2-CE1 4.48Å; I385-F395 HydrophobicContact CG2-CZ 4.27Å; I385-L404 HydrophobicContact CD1-CB 3.63Å; I385-A405 HydrophobicContact CD1-CB 4.46Å; I385-A405 HydrophobicContact CG2-CB 4.05Å; I385-E408 HydrophobicContact CB-CB 4.48Å; I385-E408 HydrophobicContact CB-CG 4.41Å; I385-E408 HydrophobicContact CG2-CB 4.16Å; I385-E408 HydrophobicContact CG2-CG 4.26Å; I385-F520 HydrophobicContact CG2-CE2 3.98Å; I385-F520 HydrophobicContact CG2-CZ 3.74Å
386S98.4Very high96.9Very high13 Ų1336.8 Ų36.89%0.09117%0.165CC..Hα-helixtrans-59.7-42.4177.2-161.90000111.7I382 L383 K390 E408I382-S386 WeakPolarHBondContact O-CB 3.31Å; I382-S386 PolarHBondContact O-N 2.73Å; L383-S386 PolarHBondContact O-N 3.43Å; S386-K390 WeakPolarHBondContact O-CB 3.4Å; S386-K390 VanDerWaalsContact O-CG 3.26Å; S386-K390 WeakPolarHBondContact O-CG 3.19Å; S386-K390 PolarHBondContact O-N 2.97Å; S386-K390 WeakPolarHBondContact OG-CE 3.24Å; S386-K390 PolarHBondContact OG-NZ 3.45Å; S386-E408 VanDerWaalsContact CA-OE1 3.31Å; S386-E408 WeakPolarHBondContact CA-OE1 3.45Å; S386-E408 WeakPolarHBondContact CB-OE1 3.4Å; S386-E408 PolarHBondContact OG-OE1 2.86Å
387W98.5Very high97.4Very high40 Ų4032.4 Ų32.415%0.15215%0.148CC..Hα-helixtrans-63-47.6175.6179.588.3000111.5W358 L361 C362 V367 L383 A384 I385 R389 K390 Q391 K393W358-W387 HydrophobicContact CH2-CB 4.38Å; W358-W387 HydrophobicContact CZ3-CB 4.02Å; W358-W387 AromaticContact CZ3-CD1 3.86Å; W358-W387 AromaticContact CZ3-CG 3.96Å; W358-W387 HydrophobicContact CZ3-CG 3.96Å; L361-W387 HydrophobicContact CD1-CE3 4.22Å; L361-W387 HydrophobicContact CD1-CZ3 4.25Å; L361-W387 HydrophobicContact CD2-CD2 4.28Å; L361-W387 HydrophobicContact CD2-CE3 4.11Å; L361-W387 HydrophobicContact CD2-CG 4.46Å; L361-W387 HydrophobicContact CG-CD2 4.3Å; L361-W387 HydrophobicContact CG-CE3 3.83Å; L361-W387 HydrophobicContact CG-CZ3 3.99Å; L361-W387 WeakPolarHBondContact O-CH2 3.43Å; C362-W387 HydrophobicContact CB-CZ2 4.14Å; V367-W387 HydrophobicContact CG2-CE3 4.29Å; V367-W387 HydrophobicContact CG2-CZ3 3.89Å; L383-W387 WeakPolarHBondContact O-CB 3.43Å; L383-W387 PolarHBondContact O-N 3.25Å; A384-W387 PolarHBondContact O-N 3.13Å; I385-W387 VanDerWaalsContact C-N 3.29Å; I385-W387 PolarHBondContact O-N 3.43Å; W387-R389 PolarHBondContact O-N 3.2Å; W387-K390 PolarHBondContact O-N 2.98Å; W387-Q391 HydrophobicContact CD2-CG 4.19Å; W387-Q391 HydrophobicContact CG-CG 4.31Å; W387-Q391 HydrophobicContact CZ2-CB 4.38Å; W387-Q391 HydrophobicContact CZ2-CG 4.13Å; W387-Q391 WeakPolarHBondContact O-CB 3.49Å; W387-Q391 WeakPolarHBondContact O-CG 3.36Å; W387-Q391 PolarHBondContact O-N 3.33Å; W387-K393 HydrophobicContact CH2-CB 4.5Å; W387-K393 HydrophobicContact CH2-CD 4.12Å; W387-K393 HydrophobicContact CH2-CG 3.65Å; W387-K393 HydrophobicContact CZ2-CG 4.42Å; W387-K393 HydrophobicContact CZ3-CB 4.08Å; W387-K393 HydrophobicContact CZ3-CD 4.47Å; W387-K393 HydrophobicContact CZ3-CG 3.72Å
388A98.4Very high97.8Very high0 Ų032.3 Ų32.30%015%0.147CC..Hα-helixtrans-58.5-47.7179.800000111.5V367 A384 I385 Q391 K392 K393 F395 H517V367-A388 HydrophobicContact CB-CB 4.26Å; V367-A388 HydrophobicContact CG2-CB 4.11Å; A384-A388 PolarHBondContact O-N 3.14Å; I385-A388 PolarHBondContact O-N 3.26Å; A388-Q391 PolarHBondContact O-N 2.74Å; A388-K392 PolarHBondContact O-N 2.7Å; A388-K393 HydrophobicContact CB-CB 4.37Å; A388-K393 PolarHBondContact O-N 3.46Å; A388-F395 HydrophobicContact CB-CB 4.19Å; A388-F395 HydrophobicContact CB-CD2 4.32Å; A388-H517 PolarHBondContact O-NE2 3.22Å
389R98.3Very high98Very high44 Ų4432.2 Ų32.217%0.16615%0.147CC..Hα-helixtrans-59.6-49.1177.2-173.7177.661.775.32.6112.5I385 W387 K392 E408 L514 F520I385-R389 PolarHBondContact O-N 3.18Å; W387-R389 PolarHBondContact O-N 3.2Å; R389-K392 PolarHBondContact O-N 3.11Å; R389-E408 IonicContact CZ-OE1 3.84Å; R389-E408 IonicContact CZ-OE2 3.87Å; R389-E408 IonicContact NE-OE1 2.76Å; R389-E408 IonicContact NE-OE2 3.19Å; R389-E408 PolarHBondContact NE-OE2 3.47Å; R389-E408 IonicContact NH2-OE1 3.32Å; R389-E408 PolarHBondContact NH2-OE1 3.3Å; R389-E408 IonicContact NH2-OE2 2.71Å; R389-L514 HydrophobicContact CG-CD2 3.58Å; R389-F520 HydrophobicContact CB-CD2 4.35Å; R389-F520 HydrophobicContact CB-CE2 3.89Å; R389-F520 HydrophobicContact CG-CE2 4.42Å
390K97.9Very high98Very high125 Ų12528.7 Ų28.754%0.54313%0.13SC..Hα-helixtrans-68.4-35.3-177-72.6170.2-177.2160.40112.6S386 W387 K392S386-K390 WeakPolarHBondContact O-CB 3.4Å; S386-K390 VanDerWaalsContact O-CG 3.26Å; S386-K390 WeakPolarHBondContact O-CG 3.19Å; S386-K390 PolarHBondContact O-N 2.97Å; S386-K390 WeakPolarHBondContact OG-CE 3.24Å; S386-K390 PolarHBondContact OG-NZ 3.45Å; W387-K390 PolarHBondContact O-N 2.98Å; K390-K392 VanDerWaalsContact C-N 3.32Å
391Q97.9Very high98Very high117 Ų11728.7 Ų28.755%0.54713%0.13SC..THydrogen-bonded Turntrans-89.95179.4-60.1-54.1-48.300113.5W387 A388 K393W387-Q391 HydrophobicContact CD2-CG 4.19Å; W387-Q391 HydrophobicContact CG-CG 4.31Å; W387-Q391 HydrophobicContact CZ2-CB 4.38Å; W387-Q391 HydrophobicContact CZ2-CG 4.13Å; W387-Q391 WeakPolarHBondContact O-CB 3.49Å; W387-Q391 WeakPolarHBondContact O-CG 3.36Å; W387-Q391 PolarHBondContact O-N 3.33Å; A388-Q391 PolarHBondContact O-N 2.74Å; Q391-K393 HydrophobicContact CB-CG 3.96Å; Q391-K393 PolarHBondContact O-N 3.38Å
392K97.6Very high98.1Very high116 Ų11628.6 Ų28.650%0.50413%0.13SC..THydrogen-bonded Turntrans53.635.1-176.3-60.8-164.9175.9-1520113.5A388 R389 K390 E516 H517 P518A388-K392 PolarHBondContact O-N 2.7Å; R389-K392 PolarHBondContact O-N 3.11Å; K390-K392 VanDerWaalsContact C-N 3.32Å; K392-E516 PolarHBondContact NZ-O 3.42Å; K392-H517 VanDerWaalsContact CA-NE2 3.33Å; K392-H517 WeakPolarHBondContact CA-NE2 3.37Å; K392-P518 HydrophobicContact CB-CG 4.38Å
393K98.1Very high98.1Very high57 Ų5728.3 Ų28.325%0.24813%0.129CC..  trans-85.1129.6179.7-73.3-77.8-172.3164.60109.7A364 W387 A388 Q391 F395 H517A364-K393 PolarHBondContact O-NZ 3.37Å; W387-K393 HydrophobicContact CH2-CB 4.5Å; W387-K393 HydrophobicContact CH2-CD 4.12Å; W387-K393 HydrophobicContact CH2-CG 3.65Å; W387-K393 HydrophobicContact CZ2-CG 4.42Å; W387-K393 HydrophobicContact CZ3-CB 4.08Å; W387-K393 HydrophobicContact CZ3-CD 4.47Å; W387-K393 HydrophobicContact CZ3-CG 3.72Å; A388-K393 HydrophobicContact CB-CB 4.37Å; A388-K393 PolarHBondContact O-N 3.46Å; Q391-K393 HydrophobicContact CB-CG 3.96Å; Q391-K393 PolarHBondContact O-N 3.38Å; K393-F395 PolarHBondContact O-N 3.17Å; K393-H517 PolarHBondContact O-CE1 3.14Å; K393-H517 PolarHBondContact O-NE2 3.43Å
394P98.6Very high98.1Very high11 Ų1125.5 Ų25.57%0.07111%0.114CC..  trans-46127.5176.1-31.336000112.6D365 G366 V367 F519 L543 A546D365-P394 WeakPolarHBondContact O-CD 3.14Å; G366-P394 CarbonylContact C-O 3.53Å; G366-P394 WeakPolarHBondContact CA-O 3.13Å; V367-P394 PolarHBondContact N-O 3.28Å; P394-F519 CarbonylContact C-O 3.52Å; P394-F519 VanDerWaalsContact CA-O 3.31Å; P394-F519 WeakPolarHBondContact CA-O 3.44Å; P394-F519 HydrophobicContact CB-CB 4.28Å; P394-L543 HydrophobicContact CB-CD1 4Å; P394-A546 HydrophobicContact CB-CB 3.79Å; P394-A546 HydrophobicContact CG-CB 3.76Å
395F98.8Very high98.1Very high0 Ų025.6 Ų25.60%011%0.114CC..EExtended strand (participates in β ladder)trans-132135.5-174.2173.2-100.1000111.5V367 V369 I385 A388 K393 A405 F519 F520 V521V367-F395 HydrophobicContact CB-CD2 4.15Å; V367-F395 HydrophobicContact CG1-CD2 4.07Å; V367-F395 HydrophobicContact CG1-CE2 4.45Å; V367-F395 WeakPolarHBondContact O-CA 3.25Å; V369-F395 HydrophobicContact CB-CE2 4.12Å; V369-F395 HydrophobicContact CB-CZ 4.35Å; V369-F395 HydrophobicContact CG2-CE2 3.76Å; V369-F395 HydrophobicContact CG2-CZ 4.36Å; I385-F395 HydrophobicContact CD1-CZ 4.13Å; I385-F395 HydrophobicContact CG1-CE2 3.67Å; I385-F395 HydrophobicContact CG1-CZ 3.69Å; I385-F395 HydrophobicContact CG2-CE1 4.48Å; I385-F395 HydrophobicContact CG2-CZ 4.27Å; A388-F395 HydrophobicContact CB-CB 4.19Å; A388-F395 HydrophobicContact CB-CD2 4.32Å; K393-F395 PolarHBondContact O-N 3.17Å; F395-A405 HydrophobicContact CE1-CB 4.1Å; F395-F519 PolarHBondContact N-O 3.19Å; F395-F519 WeakPolarHBondContact O-CD1 3.03Å; F395-F519 WeakPolarHBondContact O-CE1 3.17Å; F395-F520 HydrophobicContact CB-CD2 3.7Å; F395-F520 HydrophobicContact CB-CE2 4.12Å; F395-F520 HydrophobicContact CB-CG 4.37Å; F395-F520 HydrophobicContact CD1-CD1 4.23Å; F395-F520 AromaticContact CD1-CD2 3.65Å; F395-F520 HydrophobicContact CD1-CD2 3.65Å; F395-F520 HydrophobicContact CD1-CE1 4.11Å; F395-F520 AromaticContact CD1-CE2 3.52Å; F395-F520 HydrophobicContact CD1-CE2 3.52Å; F395-F520 HydrophobicContact CD1-CG 4Å; F395-F520 AromaticContact CD1-CZ 3.76Å; F395-F520 HydrophobicContact CD1-CZ 3.76Å; F395-F520 HydrophobicContact CE1-CE1 4.34Å; F395-F520 HydrophobicContact CE1-CE2 4.15Å; F395-F520 AromaticContact CE1-CZ 3.99Å; F395-F520 HydrophobicContact CE1-CZ 3.99Å; F395-F520 AromaticContact CG-CD2 3.93Å; F395-F520 HydrophobicContact CG-CD2 3.93Å; F395-F520 AromaticContact CG-CE2 3.89Å; F395-F520 HydrophobicContact CG-CE2 3.89Å; F395-V521 PolarHBondContact O-N 3.3Å
396L98.9Very high98Very high0 Ų025.6 Ų25.60%011%0.114CC..EExtended strand (participates in β ladder)trans-125.2123.8166.3-178.660.2000109.9V367 L368 V369 V398 F519 V521 P539 Y540 L543V367-L396 PolarHBondContact O-N 3.49Å; L368-L396 WeakPolarHBondContact CA-O 3.09Å; L368-L396 HydrophobicContact CD1-CB 3.88Å; L368-L396 HydrophobicContact CD1-CD2 3.93Å; L368-L396 HydrophobicContact CD1-CG 3.89Å; L368-L396 WeakPolarHBondContact CD1-O 3.26Å; V369-L396 PolarHBondContact N-O 3.07Å; L396-V398 HydrophobicContact CD2-CG2 4.29Å; L396-V398 HydrophobicContact CG-CG2 4.11Å; L396-F519 HydrophobicContact CB-CE1 4.45Å; L396-V521 CarbonylContact C-O 3.41Å; L396-V521 VanDerWaalsContact CA-O 3.29Å; L396-V521 WeakPolarHBondContact CA-O 3.19Å; L396-V521 HydrophobicContact CD1-CB 4.23Å; L396-V521 HydrophobicContact CD1-CG1 4.16Å; L396-P539 HydrophobicContact CD1-CB 3.95Å; L396-P539 HydrophobicContact CD2-CB 4.03Å; L396-Y540 HydrophobicContact CD2-CD1 3.97Å; L396-Y540 HydrophobicContact CD2-CE1 4.08Å; L396-Y540 HydrophobicContact CD2-CG 4.24Å; L396-L543 HydrophobicContact CB-CB 4.45Å; L396-L543 HydrophobicContact CB-CD1 4.19Å; L396-L543 HydrophobicContact CB-CD2 3.93Å; L396-L543 HydrophobicContact CB-CG 4.41Å; L396-L543 HydrophobicContact CD2-CD2 4.39Å
397G98.5Very high98Very high0 Ų025 Ų250%011%0.11CC..EExtended strand (participates in β ladder)trans-105126.9168.700000110.5V521 G522 V523G397-V521 PolarHBondContact N-O 2.85Å; G397-G522 CarbonylContact O-C 3.59Å; G397-G522 WeakPolarHBondContact O-CA 3.3Å; G397-V523 PolarHBondContact O-N 2.8Å
398V98.3Very high98Very high0 Ų023.1 Ų23.10%010%0.103CC..EExtended strand (participates in β ladder)trans-113.2127.3178.2177.70000109.8L368 V369 P370 G371 L396 L400 G401 V523 P527L368-V398 HydrophobicContact CD1-CG2 4.15Å; V369-V398 PolarHBondContact O-N 2.97Å; P370-V398 CarbonylContact C-O 3.59Å; G371-V398 WeakPolarHBondContact CA-O 3.45Å; G371-V398 PolarHBondContact N-O 2.85Å; G371-V398 VanDerWaalsContact N-O 3.16Å; L396-V398 HydrophobicContact CD2-CG2 4.29Å; L396-V398 HydrophobicContact CG-CG2 4.11Å; V398-L400 PolarHBondContact O-N 3.32Å; V398-G401 PolarHBondContact O-N 2.95Å; V398-V523 CarbonylContact C-O 3.55Å; V398-V523 HydrophobicContact CG2-CG2 4.35Å; V398-P527 HydrophobicContact CG2-CG 4.29Å
399C96.4Very high98Very high4 Ų423.3 Ų23.33%0.02710%0.104CC..THydrogen-bonded Turntrans52.7-106.5-179.4-179.70000110.4G401 M402 Q403 V523 Q524 H526C399-G401 PolarHBondContact O-N 3.34Å; C399-G401 VanDerWaalsContact O-N 3.1Å; C399-M402 WeakPolarHBondContact O-CB 3.47Å; C399-M402 PolarHBondContact O-N 2.68Å; C399-Q403 PolarHBondContact O-N 2.63Å; C399-V523 PolarHBondContact N-O 3.38Å; C399-Q524 WeakPolarHBondContact CA-O 3.3Å; C399-Q524 WeakPolarHBondContact CB-O 3.35Å; C399-H526 WeakPolarHBondContact CB-NE2 3.11Å
400L96.1Very high98Very high2 Ų221.2 Ų21.21%0.0110%0.096CC..Hα-helixtrans-51.8-35.2172.9179.461.2000113G372 V398 M402 Q403 L404 F424G372-L400 WeakPolarHBondContact O-CD2 3.15Å; V398-L400 PolarHBondContact O-N 3.32Å; L400-M402 VanDerWaalsContact C-N 3.29Å; L400-M402 PolarHBondContact O-N 3.04Å; L400-Q403 WeakPolarHBondContact O-CB 3.39Å; L400-Q403 PolarHBondContact O-N 2.94Å; L400-L404 HydrophobicContact CD1-CD1 4.16Å; L400-L404 HydrophobicContact CD1-CD2 4.17Å; L400-L404 HydrophobicContact CD1-CG 3.87Å; L400-L404 HydrophobicContact CD2-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 3.99Å; L400-L404 HydrophobicContact CG-CG 4.11Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 3.03Å; L400-F424 HydrophobicContact CD1-CE2 4.13Å; L400-F424 HydrophobicContact CD1-CZ 3.71Å
401G97.5Very high98Very high0 Ų016.9 Ų16.90%08%0.076CC..Hα-helixtrans-61.2-35.8177.700000113.6V398 C399 A405V398-G401 PolarHBondContact O-N 2.95Å; C399-G401 PolarHBondContact O-N 3.34Å; C399-G401 VanDerWaalsContact O-N 3.1Å; G401-A405 PolarHBondContact O-N 3.3Å
402M98.2Very high97.9Very high0 Ų013.9 Ų13.90%07%0.068CC..Hα-helixtrans-67.5-47.7173.4-176.7-151.616200110.9C399 L400 L404 A405 V406 V484 F499 M509 V512 V523 Q524C399-M402 WeakPolarHBondContact O-CB 3.47Å; C399-M402 PolarHBondContact O-N 2.68Å; L400-M402 VanDerWaalsContact C-N 3.29Å; L400-M402 PolarHBondContact O-N 3.04Å; M402-L404 VanDerWaalsContact C-N 3.3Å; M402-L404 PolarHBondContact O-N 3.06Å; M402-A405 WeakPolarHBondContact O-CB 3.23Å; M402-A405 PolarHBondContact O-N 2.75Å; M402-V406 PolarHBondContact O-N 3.18Å; M402-V406 VanDerWaalsContact O-N 3.14Å; M402-V484 HydrophobicContact CE-CG2 3.89Å; M402-F499 HydrophobicContact CE-CD1 4.35Å; M402-F499 HydrophobicContact CE-CE1 4.17Å; M402-M509 HydrophobicContact CE-CB 4.46Å; M402-M509 WeakPolarHBondContact CE-O 3.39Å; M402-V512 HydrophobicContact CE-CB 4.27Å; M402-V512 HydrophobicContact CE-CG1 3.52Å; M402-V512 HydrophobicContact CG-CG1 3.29Å; M402-V512 HydrophobicContact SD-CG1 4.03Å; M402-V523 WeakPolarHBondContact CB-O 3.42Å; M402-Q524 HydrophobicContact CE-CG 4.41Å; M402-Q524 HydrophobicContact SD-CB 4.16Å; M402-Q524 HydrophobicContact SD-CG 3.47Å; M402-Q524 WeakPolarHBondContact SD-CG 3.49Å
403Q98Very high97.9Very high6 Ų610.9 Ų10.93%0.0286%0.06CC..Hα-helixtrans-57-45.2179.8-63.8174.38.700111.3C399 L400 A405 V406 V407 V433 F482C399-Q403 PolarHBondContact O-N 2.63Å; L400-Q403 WeakPolarHBondContact O-CB 3.39Å; L400-Q403 PolarHBondContact O-N 2.94Å; Q403-A405 VanDerWaalsContact C-N 3.3Å; Q403-A405 PolarHBondContact O-N 2.59Å; Q403-V406 PolarHBondContact O-N 2.52Å; Q403-V407 WeakPolarHBondContact O-CG2 3.34Å; Q403-V407 PolarHBondContact O-N 3.12Å; Q403-V433 HydrophobicContact CB-CG1 4.46Å; Q403-V433 HydrophobicContact CB-CG2 4.06Å; Q403-V433 HydrophobicContact CG-CG1 4.24Å; Q403-V433 HydrophobicContact CG-CG2 4.39Å; Q403-F482 PolarHBondContact NE2-O 2.88Å
404L98.1Very high97.9Very high1 Ų110 Ų101%0.0056%0.057CC..Hα-helixtrans-70-25.5178.3-63.5-176.1000113.3T378 K381 I382 I385 L400 M402 V407 E408 F424T378-L404 HydrophobicContact CG2-CD1 4.11Å; T378-L404 HydrophobicContact CG2-CD2 3.56Å; K381-L404 HydrophobicContact CB-CD1 3.67Å; K381-L404 HydrophobicContact CD-CD1 3.63Å; K381-L404 HydrophobicContact CG-CD1 4.32Å; I382-L404 HydrophobicContact CD1-CD2 4.3Å; I382-L404 HydrophobicContact CG1-CB 4.28Å; I382-L404 HydrophobicContact CG1-CD2 4.22Å; I385-L404 HydrophobicContact CD1-CB 3.63Å; L400-L404 HydrophobicContact CD1-CD1 4.16Å; L400-L404 HydrophobicContact CD1-CD2 4.17Å; L400-L404 HydrophobicContact CD1-CG 3.87Å; L400-L404 HydrophobicContact CD2-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 3.99Å; L400-L404 HydrophobicContact CG-CG 4.11Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 3.03Å; M402-L404 VanDerWaalsContact C-N 3.3Å; M402-L404 PolarHBondContact O-N 3.06Å; L404-V407 PolarHBondContact O-N 2.76Å; L404-E408 WeakPolarHBondContact O-CB 3.39Å; L404-E408 PolarHBondContact O-N 2.91Å; L404-F424 HydrophobicContact CD2-CE2 3.9Å
405A98.4Very high97.8Very high1 Ų111.5 Ų11.51%0.0088%0.075CC..Hα-helixtrans-68.8-38.9172.500000111.9I385 F395 G401 M402 Q403 E408 F409 F520I385-A405 HydrophobicContact CD1-CB 4.46Å; I385-A405 HydrophobicContact CG2-CB 4.05Å; F395-A405 HydrophobicContact CE1-CB 4.1Å; G401-A405 PolarHBondContact O-N 3.3Å; M402-A405 WeakPolarHBondContact O-CB 3.23Å; M402-A405 PolarHBondContact O-N 2.75Å; Q403-A405 VanDerWaalsContact C-N 3.3Å; Q403-A405 PolarHBondContact O-N 2.59Å; A405-E408 PolarHBondContact O-N 3.07Å; A405-F409 WeakPolarHBondContact O-CB 3.46Å; A405-F409 PolarHBondContact O-N 2.95Å; A405-F520 HydrophobicContact CB-CE1 4.06Å; A405-F520 HydrophobicContact CB-CZ 3.96Å
406V98.3Very high97.7Very high0 Ų014.1 Ų14.10%09%0.085CC..Hα-helixtrans-65.4-42.8173.1178.60000110.8M402 Q403 F409 A410 V432 V484 F492 L497 F499M402-V406 PolarHBondContact O-N 3.18Å; M402-V406 VanDerWaalsContact O-N 3.14Å; Q403-V406 PolarHBondContact O-N 2.52Å; V406-F409 PolarHBondContact O-N 3.42Å; V406-A410 PolarHBondContact O-N 3.32Å; V406-V432 HydrophobicContact CG1-CB 4.47Å; V406-V484 HydrophobicContact CG1-CG1 4.23Å; V406-V484 HydrophobicContact CG1-CG2 4.48Å; V406-V484 HydrophobicContact CG2-CG2 4Å; V406-F492 HydrophobicContact CG1-CD1 4.28Å; V406-F492 HydrophobicContact CG1-CD2 4.46Å; V406-F492 HydrophobicContact CG1-CE1 3.63Å; V406-F492 HydrophobicContact CG1-CE2 3.85Å; V406-F492 HydrophobicContact CG1-CZ 3.39Å; V406-L497 HydrophobicContact CG2-CD2 4.32Å; V406-F499 HydrophobicContact CG2-CE1 4.27Å; V406-F499 HydrophobicContact CG2-CZ 4.45Å
407V98.1Very high97.5Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-60.8-47.5174.5174.90000111.6I382 Q403 L404 F409 A410 R411 V432I382-V407 HydrophobicContact CD1-CG1 3.9Å; Q403-V407 WeakPolarHBondContact O-CG2 3.34Å; Q403-V407 PolarHBondContact O-N 3.12Å; L404-V407 PolarHBondContact O-N 2.76Å; V407-F409 VanDerWaalsContact C-N 3.31Å; V407-F409 PolarHBondContact O-N 3.25Å; V407-A410 PolarHBondContact O-N 3.48Å; V407-R411 WeakPolarHBondContact O-CG 3.02Å; V407-R411 PolarHBondContact O-N 2.89Å; V407-V432 HydrophobicContact CB-CG2 4.36Å; V407-V432 HydrophobicContact CG2-CG2 3.55Å
408E98.1Very high97.3Very high1 Ų123.4 Ų23.41%0.00513%0.13CC..Hα-helixtrans-58.7-44.5177.4-170.9-79.4149.200111.5I382 I385 S386 R389 L404 A405 R411 S412I382-E408 HydrophobicContact CG2-CB 4Å; I382-E408 HydrophobicContact CG2-CG 4.04Å; I385-E408 HydrophobicContact CB-CB 4.48Å; I385-E408 HydrophobicContact CB-CG 4.41Å; I385-E408 HydrophobicContact CG2-CB 4.16Å; I385-E408 HydrophobicContact CG2-CG 4.26Å; S386-E408 VanDerWaalsContact CA-OE1 3.31Å; S386-E408 WeakPolarHBondContact CA-OE1 3.45Å; S386-E408 WeakPolarHBondContact CB-OE1 3.4Å; S386-E408 PolarHBondContact OG-OE1 2.86Å; R389-E408 IonicContact CZ-OE1 3.84Å; R389-E408 IonicContact CZ-OE2 3.87Å; R389-E408 IonicContact NE-OE1 2.76Å; R389-E408 IonicContact NE-OE2 3.19Å; R389-E408 PolarHBondContact NE-OE2 3.47Å; R389-E408 IonicContact NH2-OE1 3.32Å; R389-E408 PolarHBondContact NH2-OE1 3.3Å; R389-E408 IonicContact NH2-OE2 2.71Å; L404-E408 WeakPolarHBondContact O-CB 3.39Å; L404-E408 PolarHBondContact O-N 2.91Å; A405-E408 PolarHBondContact O-N 3.07Å; E408-R411 PolarHBondContact O-N 2.94Å; E408-S412 VanDerWaalsContact O-CB 3.27Å; E408-S412 WeakPolarHBondContact O-CB 2.99Å; E408-S412 PolarHBondContact O-N 3.19Å; E408-S412 PolarHBondContact O-OG 3.2Å; E408-S412 VanDerWaalsContact OE1-CB 3.23Å; E408-S412 WeakPolarHBondContact OE1-CB 3.35Å; E408-S412 PolarHBondContact OE1-OG 2.71Å
409F98.4Very high97.3Very high5 Ų523.4 Ų23.42%0.02213%0.13CC..Hα-helixtrans-65.8-41.1-178.8-166.9-85.3000111.7A405 V406 V407 R411 S412 V413 L414 F492 Q495 L497 L514A405-F409 WeakPolarHBondContact O-CB 3.46Å; A405-F409 PolarHBondContact O-N 2.95Å; V406-F409 PolarHBondContact O-N 3.42Å; V407-F409 VanDerWaalsContact C-N 3.31Å; V407-F409 PolarHBondContact O-N 3.25Å; F409-R411 PolarHBondContact O-N 2.93Å; F409-S412 PolarHBondContact O-N 3.46Å; F409-V413 HydrophobicContact CD1-CB 4.02Å; F409-V413 HydrophobicContact CD1-CG2 4.39Å; F409-V413 HydrophobicContact CD2-CB 4.32Å; F409-V413 HydrophobicContact CD2-CG2 3.8Å; F409-V413 HydrophobicContact CE1-CB 3.79Å; F409-V413 HydrophobicContact CE1-CG1 3.85Å; F409-V413 HydrophobicContact CE1-CG2 4.28Å; F409-V413 HydrophobicContact CE2-CB 4.08Å; F409-V413 HydrophobicContact CE2-CG1 4.24Å; F409-V413 HydrophobicContact CE2-CG2 3.66Å; F409-V413 HydrophobicContact CG-CB 4.3Å; F409-V413 HydrophobicContact CG-CG2 4.17Å; F409-V413 HydrophobicContact CZ-CB 3.82Å; F409-V413 HydrophobicContact CZ-CG1 3.66Å; F409-V413 HydrophobicContact CZ-CG2 3.93Å; F409-V413 WeakPolarHBondContact O-CA 3.02Å; F409-V413 WeakPolarHBondContact O-CB 3.47Å; F409-V413 PolarHBondContact O-N 3.4Å; F409-L414 PolarHBondContact O-N 2.84Å; F409-F492 AromaticContact CD1-CD1 3.73Å; F409-F492 HydrophobicContact CD1-CD1 3.73Å; F409-F492 HydrophobicContact CD1-CE1 4.21Å; F409-F492 HydrophobicContact CE1-CD1 4.35Å; F409-Q495 HydrophobicContact CE1-CB 3.81Å; F409-Q495 HydrophobicContact CZ-CB 3.86Å; F409-L497 HydrophobicContact CB-CD2 3.93Å; F409-L497 HydrophobicContact CD1-CB 4.15Å; F409-L497 HydrophobicContact CD1-CD2 4.09Å; F409-L497 HydrophobicContact CD2-CB 4.21Å; F409-L497 HydrophobicContact CD2-CD1 4.31Å; F409-L497 HydrophobicContact CD2-CD2 4.32Å; F409-L497 HydrophobicContact CE1-CB 3.95Å; F409-L497 HydrophobicContact CE2-CB 4.03Å; F409-L497 HydrophobicContact CG-CB 4.26Å; F409-L497 HydrophobicContact CG-CD2 3.85Å; F409-L497 HydrophobicContact CG-CG 4.49Å; F409-L497 HydrophobicContact CZ-CB 3.88Å; F409-L514 HydrophobicContact CD2-CD1 4.26Å; F409-L514 HydrophobicContact CE2-CD1 3.57Å; F409-L514 HydrophobicContact CZ-CD1 4.37Å
410A98.1Very high97.3Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-60.5-44.9174.800000112.1V406 V407 L414 G415 W416 A419 V432 F492V406-A410 PolarHBondContact O-N 3.32Å; V407-A410 PolarHBondContact O-N 3.48Å; A410-L414 HydrophobicContact CB-CD1 4.45Å; A410-L414 CarbonylContact O-C 3.52Å; A410-L414 WeakPolarHBondContact O-CB 3.21Å; A410-L414 PolarHBondContact O-N 3.33Å; A410-G415 PolarHBondContact O-N 3.03Å; A410-G415 VanDerWaalsContact O-N 3.07Å; A410-W416 HydrophobicContact CB-CE3 4.12Å; A410-W416 PolarHBondContact O-N 3.08Å; A410-A419 HydrophobicContact CB-CB 3.66Å; A410-V432 HydrophobicContact CB-CG1 3.95Å; A410-F492 HydrophobicContact CB-CE1 3.86Å; A410-F492 HydrophobicContact CB-CZ 3.99Å
411R97.9Very high97.3Very high33 Ų3324 Ų2413%0.12513%0.133CC..Hα-helixtrans-68-43.5179-68.5-179.6-177.4-177.82.6112.4E379 V407 E408 F409 W416 Q417 A419 N420E379-R411 VanDerWaalsContact CD-NH1 3.3Å; E379-R411 IonicContact OE1-CZ 2.7Å; E379-R411 IonicContact OE1-NH1 2.63Å; E379-R411 PolarHBondContact OE1-NH1 3.48Å; E379-R411 IonicContact OE1-NH2 3.73Å; E379-R411 PolarHBondContact OE1-NH2 3.34Å; E379-R411 IonicContact OE2-NH1 3.42Å; E379-R411 PolarHBondContact OE2-NH1 3.44Å; V407-R411 WeakPolarHBondContact O-CG 3.02Å; V407-R411 PolarHBondContact O-N 2.89Å; E408-R411 PolarHBondContact O-N 2.94Å; F409-R411 PolarHBondContact O-N 2.93Å; R411-W416 WeakPolarHBondContact CG-O 3.39Å; R411-Q417 PolarHBondContact O-NE2 3.36Å; R411-A419 HydrophobicContact CG-CB 4.37Å; R411-A419 PolarHBondContact NE-O 3.35Å; R411-A419 PolarHBondContact NH2-O 3.35Å; R411-A419 VanDerWaalsContact NH2-O 3.13Å; R411-N420 PolarHBondContact NH2-ND2 2.84Å
412S96.5Very high97.1Very high55 Ų5525.8 Ų25.839%0.38514%0.144SC..Hα-helixtrans-87.8-38-170.9-71.40000114.5E408 F409E408-S412 VanDerWaalsContact O-CB 3.27Å; E408-S412 WeakPolarHBondContact O-CB 2.99Å; E408-S412 PolarHBondContact O-N 3.19Å; E408-S412 PolarHBondContact O-OG 3.2Å; E408-S412 VanDerWaalsContact OE1-CB 3.23Å; E408-S412 WeakPolarHBondContact OE1-CB 3.35Å; E408-S412 PolarHBondContact OE1-OG 2.71Å; F409-S412 PolarHBondContact O-N 3.46Å
413V97.3Very high96.9Very high53 Ų5328.2 Ų28.232%0.32116%0.156SC..THydrogen-bonded Turntrans-104-45.8-172.4-176.40000111.1F409 G415 Q495F409-V413 HydrophobicContact CD1-CB 4.02Å; F409-V413 HydrophobicContact CD1-CG2 4.39Å; F409-V413 HydrophobicContact CD2-CB 4.32Å; F409-V413 HydrophobicContact CD2-CG2 3.8Å; F409-V413 HydrophobicContact CE1-CB 3.79Å; F409-V413 HydrophobicContact CE1-CG1 3.85Å; F409-V413 HydrophobicContact CE1-CG2 4.28Å; F409-V413 HydrophobicContact CE2-CB 4.08Å; F409-V413 HydrophobicContact CE2-CG1 4.24Å; F409-V413 HydrophobicContact CE2-CG2 3.66Å; F409-V413 HydrophobicContact CG-CB 4.3Å; F409-V413 HydrophobicContact CG-CG2 4.17Å; F409-V413 HydrophobicContact CZ-CB 3.82Å; F409-V413 HydrophobicContact CZ-CG1 3.66Å; F409-V413 HydrophobicContact CZ-CG2 3.93Å; F409-V413 WeakPolarHBondContact O-CA 3.02Å; F409-V413 WeakPolarHBondContact O-CB 3.47Å; F409-V413 PolarHBondContact O-N 3.4Å; V413-G415 VanDerWaalsContact C-N 3.3Å; V413-Q495 HydrophobicContact CG1-CB 4.19Å
414L96.7Very high96.6Very high37 Ų3729.5 Ų29.519%0.19416%0.161CC..SBendtrans-79.6-14.7176.6-56.8177.4000113F409 A410 W416 C491 F492 Q495F409-L414 PolarHBondContact O-N 2.84Å; A410-L414 HydrophobicContact CB-CD1 4.45Å; A410-L414 CarbonylContact O-C 3.52Å; A410-L414 WeakPolarHBondContact O-CB 3.21Å; A410-L414 PolarHBondContact O-N 3.33Å; L414-W416 VanDerWaalsContact C-N 3.28Å; L414-W416 HydrophobicContact CB-CD2 3.98Å; L414-W416 HydrophobicContact CB-CE3 4.37Å; L414-W416 HydrophobicContact CB-CG 4.21Å; L414-W416 HydrophobicContact CD1-CD2 4.32Å; L414-W416 HydrophobicContact CD1-CE3 3.95Å; L414-W416 HydrophobicContact CD1-CH2 3.84Å; L414-W416 HydrophobicContact CD1-CZ2 4.22Å; L414-W416 HydrophobicContact CD1-CZ3 3.69Å; L414-W416 PolarHBondContact O-N 2.9Å; L414-C491 HydrophobicContact CD1-CB 4.25Å; L414-C491 WeakPolarHBondContact CD2-O 3.24Å; L414-F492 HydrophobicContact CD1-CD1 3.93Å; L414-F492 HydrophobicContact CD1-CE1 3.79Å; L414-F492 HydrophobicContact CD1-CG 4.46Å; L414-F492 HydrophobicContact CD1-CZ 4.22Å; L414-Q495 HydrophobicContact CD2-CB 4.31Å; L414-Q495 HydrophobicContact CD2-CG 3.53Å
415G96.6Very high96.4Very high43 Ų4332.2 Ų32.244%0.44318%0.175SC..  trans76.710.2178.600000114.3A410 V413 Q417A410-G415 PolarHBondContact O-N 3.03Å; A410-G415 VanDerWaalsContact O-N 3.07Å; V413-G415 VanDerWaalsContact C-N 3.3Å; G415-Q417 VanDerWaalsContact C-N 3.33Å; G415-Q417 PolarHBondContact O-N 2.85Å
416W96.9Very high96.1Very high55 Ų5537 Ų3721%0.20821%0.207CC..  trans-80.178.9178.8-58.5-16.4000110.3A410 R411 L414 D418 A419 H430 V432 L488 C491A410-W416 HydrophobicContact CB-CE3 4.12Å; A410-W416 PolarHBondContact O-N 3.08Å; R411-W416 WeakPolarHBondContact CG-O 3.39Å; L414-W416 VanDerWaalsContact C-N 3.28Å; L414-W416 HydrophobicContact CB-CD2 3.98Å; L414-W416 HydrophobicContact CB-CE3 4.37Å; L414-W416 HydrophobicContact CB-CG 4.21Å; L414-W416 HydrophobicContact CD1-CD2 4.32Å; L414-W416 HydrophobicContact CD1-CE3 3.95Å; L414-W416 HydrophobicContact CD1-CH2 3.84Å; L414-W416 HydrophobicContact CD1-CZ2 4.22Å; L414-W416 HydrophobicContact CD1-CZ3 3.69Å; L414-W416 PolarHBondContact O-N 2.9Å; W416-D418 PolarHBondContact O-N 3.41Å; W416-D418 VanDerWaalsContact O-N 3.15Å; W416-A419 HydrophobicContact CB-CB 3.9Å; W416-A419 WeakPolarHBondContact O-CB 3.48Å; W416-A419 PolarHBondContact O-N 2.93Å; W416-H430 HydrophobicContact CB-CB 4.41Å; W416-H430 AromaticContact CD2-CD2 3.78Å; W416-H430 HydrophobicContact CE3-CB 4.29Å; W416-H430 AromaticContact CG-CD2 3.9Å; W416-V432 HydrophobicContact CE3-CG1 4.38Å; W416-V432 HydrophobicContact CZ3-CG1 4.49Å; W416-L488 HydrophobicContact CH2-CD2 4.25Å; W416-L488 HydrophobicContact CZ3-CD1 4.42Å; W416-L488 HydrophobicContact CZ3-CD2 4.35Å; W416-C491 HydrophobicContact CH2-CB 3.66Å; W416-C491 HydrophobicContact CZ2-CB 4.3Å
417Q95.4Very high95.9Very high137 Ų13746 Ų4664%0.6425%0.246SC*.THydrogen-bonded Turntrans-59.1-28.6-173.2-62.2-54-44.800113.8R411 G415R411-Q417 PolarHBondContact O-NE2 3.36Å; G415-Q417 VanDerWaalsContact C-N 3.33Å; G415-Q417 PolarHBondContact O-N 2.85Å
418D95.2Very high95.8Very high59 Ų5946.8 Ų46.832%0.31625%0.251SS..THydrogen-bonded Turntrans-88.5-0.917870.2-53.7000113.7W416 N420 T428 K429 H430W416-D418 PolarHBondContact O-N 3.41Å; W416-D418 VanDerWaalsContact O-N 3.15Å; D418-N420 PolarHBondContact O-N 2.97Å; D418-T428 WeakPolarHBondContact O-CB 3.3Å; D418-T428 PolarHBondContact O-OG1 3Å; D418-K429 VanDerWaalsContact OD2-CB 3.24Å; D418-K429 WeakPolarHBondContact OD2-CB 3.21Å; D418-K429 PolarHBondContact OD2-N 3.08Å; D418-H430 VanDerWaalsContact CG-ND1 3.31Å; D418-H430 IonicContact OD1-CE1 3.52Å; D418-H430 PolarHBondContact OD1-CE1 3.01Å; D418-H430 IonicContact OD1-CG 2.79Å; D418-H430 IonicContact OD1-ND1 3.96Å; D418-H430 PolarHBondContact OD1-ND1 3.21Å; D418-H430 IonicContact OD2-ND1 3.78Å; D418-H430 PolarHBondContact OD2-ND1 3.03Å
419A96.9Very high95.6Very high0 Ų055.4 Ų55.40%029%0.288CS..  trans-57.9129.7179.400000111.4A410 R411 W416 H430 V432A410-A419 HydrophobicContact CB-CB 3.66Å; R411-A419 HydrophobicContact CG-CB 4.37Å; R411-A419 PolarHBondContact NE-O 3.35Å; R411-A419 PolarHBondContact NH2-O 3.35Å; R411-A419 VanDerWaalsContact NH2-O 3.13Å; W416-A419 HydrophobicContact CB-CB 3.9Å; W416-A419 WeakPolarHBondContact O-CB 3.48Å; W416-A419 PolarHBondContact O-N 2.93Å; A419-H430 WeakPolarHBondContact CA-O 3.43Å; A419-H430 HydrophobicContact CB-CB 3.99Å; A419-V432 HydrophobicContact CB-CG1 3.9Å; A419-V432 HydrophobicContact CB-CG2 4.39Å
420N96.2Very high95.5Very high16 Ų1657.8 Ų57.89%0.08630%0.299CS..EExtended strand (participates in β ladder)trans-155.9170.2-178.3-144.1-22.9000112.3R411 D418 D425 T428 H430 V432R411-N420 PolarHBondContact NH2-ND2 2.84Å; D418-N420 PolarHBondContact O-N 2.97Å; N420-D425 HydrophobicContact CB-CB 4.12Å; N420-T428 HydrophobicContact CB-CG2 4.38Å; N420-H430 PolarHBondContact N-O 3.49Å; N420-V432 WeakPolarHBondContact O-CG2 3.48Å; N420-V432 PolarHBondContact O-N 3.34Å
421S95.7Very high95.5Very high1 Ų159.7 Ų59.71%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-77.7142165.4175.90000110.5E423 F424 D425 V433S421-E423 PolarHBondContact O-N 2.72Å; S421-E423 WeakPolarHBondContact OG-CB 3.25Å; S421-E423 PolarHBondContact OG-N 3.44Å; S421-E423 VanDerWaalsContact OG-N 3.08Å; S421-F424 PolarHBondContact O-N 2.93Å; S421-D425 PolarHBondContact O-N 2.82Å; S421-V433 WeakPolarHBondContact CA-O 3.18Å; S421-V433 WeakPolarHBondContact OG-CG1 3.11Å
422T94.9Very high95.4Very high38 Ų3858.1 Ų58.123%0.23331%0.305CS..THydrogen-bonded Turntrans-66.7-12.4171.2630000112.7F424 P431 V433 I434 D435T422-F424 VanDerWaalsContact C-N 3.33Å; T422-P431 HydrophobicContact CG2-CB 3.84Å; T422-V433 PolarHBondContact N-O 3.5Å; T422-I434 HydrophobicContact CG2-CG2 4.04Å; T422-I434 WeakPolarHBondContact OG1-CA 3.48Å; T422-D435 PolarHBondContact OG1-N 3.37Å
423E92.7Very high95.5Very high52 Ų5255.5 Ų55.524%0.24329%0.287CS..THydrogen-bonded Turntrans-63.1-40.7167.5-169.9-174.8163.200111.4G374 S421 F482G374-E423 PolarHBondContact N-OE1 3.31Å; S421-E423 PolarHBondContact O-N 2.72Å; S421-E423 WeakPolarHBondContact OG-CB 3.25Å; S421-E423 PolarHBondContact OG-N 3.44Å; S421-E423 VanDerWaalsContact OG-N 3.08Å; E423-F482 HydrophobicContact CB-CD1 4.17Å; E423-F482 HydrophobicContact CB-CD2 4.19Å; E423-F482 HydrophobicContact CB-CE1 3.7Å; E423-F482 HydrophobicContact CB-CE2 3.73Å; E423-F482 HydrophobicContact CB-CG 4.41Å; E423-F482 HydrophobicContact CB-CZ 3.47Å; E423-F482 VanDerWaalsContact CB-CZ 3.47Å; E423-F482 HydrophobicContact CG-CD2 4.34Å; E423-F482 HydrophobicContact CG-CE1 4.42Å; E423-F482 HydrophobicContact CG-CE2 3.62Å; E423-F482 HydrophobicContact CG-CZ 3.69Å
424F92.4Very high95.5Very high32 Ų3254.9 Ų54.914%0.1428%0.282CS..THydrogen-bonded Turntrans-100.4-40.8-170.3-50.1-45.2000112.6V375 T378 L400 L404 S421 T422V375-F424 HydrophobicContact CB-CD1 4.47Å; V375-F424 HydrophobicContact CG1-CB 4.2Å; V375-F424 HydrophobicContact CG1-CD1 3.77Å; V375-F424 HydrophobicContact CG1-CG 4.4Å; T378-F424 HydrophobicContact CG2-CD2 3.96Å; T378-F424 HydrophobicContact CG2-CE2 3.88Å; T378-F424 HydrophobicContact CG2-CZ 4.39Å; L400-F424 HydrophobicContact CD1-CE2 4.13Å; L400-F424 HydrophobicContact CD1-CZ 3.71Å; L404-F424 HydrophobicContact CD2-CE2 3.9Å; S421-F424 PolarHBondContact O-N 2.93Å; T422-F424 VanDerWaalsContact C-N 3.33Å
425D93.4Very high95.4Very high58 Ų5856.2 Ų56.231%0.3129%0.289SS..  trans-13692.6175.9-176.15.4000110.6N420 S421 K427 T428N420-D425 HydrophobicContact CB-CB 4.12Å; S421-D425 PolarHBondContact O-N 2.82Å; D425-K427 PolarHBondContact O-N 2.81Å; D425-K427 VanDerWaalsContact O-N 3.07Å; D425-K427 PolarHBondContact OD1-N 3.11Å; D425-T428 WeakPolarHBondContact O-CG2 3.47Å; D425-T428 PolarHBondContact O-N 2.55Å
426P93.1Very high95.3Very high102 Ų10256 Ų5666%0.66228%0.277SS*.THydrogen-bonded Turntrans-63.3-10.9176.6-21.431.7000114.6
427K94.4Very high95Very high188 Ų18854.7 Ų54.782%0.81728%0.276SS*.THydrogen-bonded Turntrans-103.73.2-176-62.7-179.4-178.6175.90113.3D425D425-K427 PolarHBondContact O-N 2.81Å; D425-K427 VanDerWaalsContact O-N 3.07Å; D425-K427 PolarHBondContact OD1-N 3.11Å
428T95.2Very high94.6Very high17 Ų1748.7 Ų48.710%0.10425%0.248CC..  trans-54.8141.2175.3179.20000111D418 N420 D425 H430 P431D418-T428 WeakPolarHBondContact O-CB 3.3Å; D418-T428 PolarHBondContact O-OG1 3Å; N420-T428 HydrophobicContact CB-CG2 4.38Å; D425-T428 WeakPolarHBondContact O-CG2 3.47Å; D425-T428 PolarHBondContact O-N 2.55Å; T428-H430 VanDerWaalsContact C-N 3.29Å; T428-H430 PolarHBondContact OG1-N 3Å; T428-H430 VanDerWaalsContact OG1-N 3.15Å; T428-H430 PolarHBondContact OG1-O 2.98Å; T428-P431 HydrophobicContact CG2-CB 3.93Å
429K94.8Very high94.2Very high182 Ų18252.8 Ų52.879%0.79126%0.264SS*.SBendtrans-82.2-15.1173.8-57.2174.1178175.20111.8D418 P431D418-K429 VanDerWaalsContact OD2-CB 3.24Å; D418-K429 WeakPolarHBondContact OD2-CB 3.21Å; D418-K429 PolarHBondContact OD2-N 3.08Å; K429-P431 VanDerWaalsContact C-CD 3.45Å; K429-P431 WeakPolarHBondContact O-CD 3.35Å
430H96.3Very high93.5Very high56 Ų5655.1 Ų55.126%0.25928%0.277SS..SBendtrans-121.176.1177.6-5895.9000109.4W416 D418 A419 N420 T428 V432W416-H430 HydrophobicContact CB-CB 4.41Å; W416-H430 AromaticContact CD2-CD2 3.78Å; W416-H430 HydrophobicContact CE3-CB 4.29Å; W416-H430 AromaticContact CG-CD2 3.9Å; D418-H430 VanDerWaalsContact CG-ND1 3.31Å; D418-H430 IonicContact OD1-CE1 3.52Å; D418-H430 PolarHBondContact OD1-CE1 3.01Å; D418-H430 IonicContact OD1-CG 2.79Å; D418-H430 IonicContact OD1-ND1 3.96Å; D418-H430 PolarHBondContact OD1-ND1 3.21Å; D418-H430 IonicContact OD2-ND1 3.78Å; D418-H430 PolarHBondContact OD2-ND1 3.03Å; A419-H430 WeakPolarHBondContact CA-O 3.43Å; A419-H430 HydrophobicContact CB-CB 3.99Å; N420-H430 PolarHBondContact N-O 3.49Å; T428-H430 VanDerWaalsContact C-N 3.29Å; T428-H430 PolarHBondContact OG1-N 3Å; T428-H430 VanDerWaalsContact OG1-N 3.15Å; T428-H430 PolarHBondContact OG1-O 2.98Å; H430-V432 VanDerWaalsContact C-N 3.32Å; H430-V432 PolarHBondContact O-N 3.3Å
431P96.6Very high92.8Very high39 Ų3960.8 Ų60.825%0.25332%0.315SS..EExtended strand (participates in β ladder)trans-73.586.1179.231.4-35.1000109.9T422 T428 K429 V433 I434 N485T422-P431 HydrophobicContact CG2-CB 3.84Å; T428-P431 HydrophobicContact CG2-CB 3.93Å; K429-P431 VanDerWaalsContact C-CD 3.45Å; K429-P431 WeakPolarHBondContact O-CD 3.35Å; P431-V433 VanDerWaalsContact C-N 3.32Å; P431-I434 HydrophobicContact CB-CG2 3.95Å; P431-N485 VanDerWaalsContact O-CB 3.25Å; P431-N485 WeakPolarHBondContact O-CB 3.43Å; P431-N485 PolarHBondContact O-ND2 2.91Å; P431-N485 VanDerWaalsContact O-ND2 3.08Å
432V97.1Very high92Very high0 Ų064.9 Ų64.90%036%0.357CS..EExtended strand (participates in β ladder)trans-75.6-24-177.7-670000112.8V406 V407 A410 W416 A419 N420 H430 N485 L488 F492V406-V432 HydrophobicContact CG1-CB 4.47Å; V407-V432 HydrophobicContact CB-CG2 4.36Å; V407-V432 HydrophobicContact CG2-CG2 3.55Å; A410-V432 HydrophobicContact CB-CG1 3.95Å; W416-V432 HydrophobicContact CE3-CG1 4.38Å; W416-V432 HydrophobicContact CZ3-CG1 4.49Å; A419-V432 HydrophobicContact CB-CG1 3.9Å; A419-V432 HydrophobicContact CB-CG2 4.39Å; N420-V432 WeakPolarHBondContact O-CG2 3.48Å; N420-V432 PolarHBondContact O-N 3.34Å; H430-V432 VanDerWaalsContact C-N 3.32Å; H430-V432 PolarHBondContact O-N 3.3Å; V432-N485 PolarHBondContact O-N 2.82Å; V432-L488 HydrophobicContact CG1-CD1 4.02Å; V432-F492 HydrophobicContact CB-CZ 4.29Å; V432-F492 HydrophobicContact CG1-CE2 4.49Å; V432-F492 HydrophobicContact CG1-CZ 3.88Å
433V97.4Very high91.2Very high0 Ų068.6 Ų68.60%037%0.372CS..EExtended strand (participates in β ladder)trans-131.2128.8175.4172.60000107.7Q403 S421 T422 P431 F482 E483Q403-V433 HydrophobicContact CB-CG1 4.46Å; Q403-V433 HydrophobicContact CB-CG2 4.06Å; Q403-V433 HydrophobicContact CG-CG1 4.24Å; Q403-V433 HydrophobicContact CG-CG2 4.39Å; S421-V433 WeakPolarHBondContact CA-O 3.18Å; S421-V433 WeakPolarHBondContact OG-CG1 3.11Å; T422-V433 PolarHBondContact N-O 3.5Å; P431-V433 VanDerWaalsContact C-N 3.32Å; V433-F482 HydrophobicContact CG1-CB 3.76Å; V433-E483 CarbonylContact C-O 3.54Å; V433-E483 VanDerWaalsContact CA-O 3.25Å; V433-E483 WeakPolarHBondContact CA-O 3.37Å
434I96.9Very high90.3Very high40 Ų4075.3 Ų75.321%0.20541%0.406CS..EExtended strand (participates in β ladder)trans-128.1153.4-171.758.1172.9000111.4T422 P431 M436 F482 E483 N485T422-I434 HydrophobicContact CG2-CG2 4.04Å; T422-I434 WeakPolarHBondContact OG1-CA 3.48Å; P431-I434 HydrophobicContact CB-CG2 3.95Å; I434-M436 HydrophobicContact CD1-CE 3.93Å; I434-M436 HydrophobicContact CG1-CE 4.33Å; I434-M436 PolarHBondContact O-N 2.58Å; I434-F482 WeakPolarHBondContact O-CA 3.45Å; I434-E483 PolarHBondContact N-O 3.21Å; I434-E483 PolarHBondContact O-N 3.27Å; I434-N485 HydrophobicContact CD1-CB 4.18Å; I434-N485 HydrophobicContact CG1-CB 4.24Å; I434-N485 HydrophobicContact CG2-CB 4.2Å
435D95Very high89.9Confident66 Ų6676.2 Ų76.235%0.35342%0.423SS..EExtended strand (participates in β ladder)trans-70.8118.6171.7-167.418.9000108.6T422 R481 F482T422-D435 PolarHBondContact OG1-N 3.37Å; D435-R481 IonicContact OD1-NE 3.57Å; D435-R481 IonicContact OD1-NH2 3.98Å; D435-R481 IonicContact OD2-CZ 2.87Å; D435-R481 IonicContact OD2-NH2 2.97Å; D435-R481 PolarHBondContact OD2-NH2 3.33Å; D435-F482 HydrophobicContact CB-CD1 3.99Å; D435-F482 HydrophobicContact CB-CE1 3.66Å; D435-F482 HydrophobicContact CB-CZ 4.38Å
436M94Very high89.2Confident38 Ų3875.2 Ų75.219%0.18743%0.427CS..  trans-133.567.8-179.1-166.9-173.7-65.600109.8I434 R481 E483 P486 R508I434-M436 HydrophobicContact CD1-CE 3.93Å; I434-M436 HydrophobicContact CG1-CE 4.33Å; I434-M436 PolarHBondContact O-N 2.58Å; M436-R481 PolarHBondContact N-O 3.48Å; M436-R481 VanDerWaalsContact N-O 3.12Å; M436-E483 HydrophobicContact CB-CB 3.99Å; M436-E483 HydrophobicContact CB-CG 3.9Å; M436-E483 HydrophobicContact CE-CB 4.27Å; M436-E483 HydrophobicContact SD-CB 4.29Å; M436-E483 HydrophobicContact SD-CG 4.27Å; M436-P486 HydrophobicContact CE-CG 3.81Å; M436-R508 PolarHBondContact O-NH2 2.88Å; M436-R508 HydrophobicContact SD-CG 3.9Å
437P90.9Very high88.9Confident28 Ų2871.5 Ų71.518%0.18240%0.403CS..  trans-68.2156.2-175.329.9-35.7000112H439 T447P437-H439 PolarHBondContact O-ND1 3.16Å; P437-T447 WeakPolarHBondContact CB-O 3.28Å
438E87.8Confident88.7Confident11 Ų1165.2 Ų65.25%0.05138%0.377CS..BIsolated β-bridgetrans-81.3142.9174.8-70.4-177.2165.800111.6T447 R449 R453 R508E438-T447 PolarHBondContact N-O 3.4Å; E438-T447 PolarHBondContact O-N 3.33Å; E438-T447 PolarHBondContact O-OG1 3.21Å; E438-R449 HydrophobicContact CG-CB 4.26Å; E438-R449 VanDerWaalsContact OE1-CG 3.29Å; E438-R449 WeakPolarHBondContact OE1-CG 3.43Å; E438-R449 IonicContact OE1-CZ 3.24Å; E438-R449 IonicContact OE1-NH1 2.71Å; E438-R449 PolarHBondContact OE1-NH1 3.04Å; E438-R453 IonicContact OE1-CZ 3.92Å; E438-R453 IonicContact OE1-NE 2.71Å; E438-R453 IonicContact OE1-NH2 3.8Å; E438-R453 IonicContact OE2-CZ 3.84Å; E438-R453 IonicContact OE2-NH2 2.74Å; E438-R453 PolarHBondContact OE2-NH2 3.49Å; E438-R508 VanDerWaalsContact CG-NH1 3.28Å; E438-R508 IonicContact OE1-NH1 3.34Å; E438-R508 PolarHBondContact OE1-NH1 3.33Å
439H86.1Confident88.6Confident144 Ų14465 Ų6567%0.66737%0.374SS*.  trans-114.785.1175.8-65.688000109P437P437-H439 PolarHBondContact O-ND1 3.16Å
440N82.1Confident88.5Confident50 Ų5058.2 Ų58.227%0.26735%0.346SS..  trans-84.3133.1-176.8-67-58.4000111G442 Q443 T447N440-G442 PolarHBondContact O-N 3.33Å; N440-Q443 PolarHBondContact O-N 2.81Å; N440-T447 PolarHBondContact ND2-OG1 3.3Å
441P81.4Confident88.5Confident135 Ų13555.6 Ų55.688%0.87734%0.335SS*.THydrogen-bonded Turntrans-53.7126.4176.8-26.734.4000112.3
442G78.9Confident88.5Confident87 Ų8756 Ų5690%0.89733%0.332SS*.THydrogen-bonded Turntrans91.5-6.4-178.800000115.2N440N440-G442 PolarHBondContact O-N 3.33Å
443Q79.2Confident88.4Confident115 Ų11559.8 Ų59.854%0.53735%0.347SS..  trans-106.3134.9169-62.6-175.7-1.600109.6N440 T447N440-Q443 PolarHBondContact O-N 2.81Å; Q443-T447 HydrophobicContact CB-CG2 3.87Å
444M73.3Confident88.4Confident194 Ų19464 Ų6496%0.95636%0.362SS*.  trans-93.2135.2176.9-67.8-165.2-64.300110.5
445G83.2Confident88.4Confident50 Ų5062 Ų6252%0.51535%0.352SS..SBendtrans88.5-178.1179.800000113.7
446G80.3Confident88.6Confident38 Ų3861.6 Ų61.639%0.39235%0.35SS..PPolyproline II helixtrans-80.5117.8176.600000111.2
447T85.5Confident88.7Confident23 Ų2360.9 Ų60.914%0.14135%0.346CS..BIsolated β-bridgetrans-97.5153.7-178610000111P437 E438 N440 Q443P437-T447 WeakPolarHBondContact CB-O 3.28Å; E438-T447 PolarHBondContact N-O 3.4Å; E438-T447 PolarHBondContact O-N 3.33Å; E438-T447 PolarHBondContact O-OG1 3.21Å; N440-T447 PolarHBondContact ND2-OG1 3.3Å; Q443-T447 HydrophobicContact CB-CG2 3.87Å
448M90.1Very high88.9Confident57 Ų5764.3 Ų64.328%0.28136%0.359SS..PPolyproline II helixtrans-67.6141.6175.3-171.1178.9-6800109.9L450 R479 H480 R481M448-L450 PolarHBondContact O-N 3.3Å; M448-L450 HydrophobicContact SD-CD1 4.38Å; M448-R479 HydrophobicContact SD-CG 3.74Å; M448-H480 WeakPolarHBondContact CG-O 3.21Å; M448-R481 HydrophobicContact CB-CG 4.15Å; M448-R481 HydrophobicContact CE-CG 4.21Å; M448-R481 HydrophobicContact CG-CG 3.89Å
449R93.3Very high89.2Confident13 Ų1366.3 Ų66.35%0.04937%0.372CS..EExtended strand (participates in β ladder)trans-71.3109.8167.2179.4170.2-175.383.2-16.5108E438 H478 R479 H480 E510E438-R449 HydrophobicContact CG-CB 4.26Å; E438-R449 VanDerWaalsContact OE1-CG 3.29Å; E438-R449 WeakPolarHBondContact OE1-CG 3.43Å; E438-R449 IonicContact OE1-CZ 3.24Å; E438-R449 IonicContact OE1-NH1 2.71Å; E438-R449 PolarHBondContact OE1-NH1 3.04Å; R449-H478 HydrophobicContact CG-CB 3.92Å; R449-H478 CarbonylContact O-C 3.55Å; R449-R479 WeakPolarHBondContact O-CA 3.29Å; R449-R479 PolarHBondContact O-N 2.83Å; R449-H480 PolarHBondContact N-O 2.96Å; R449-H480 PolarHBondContact O-N 3.49Å; R449-H480 VanDerWaalsContact O-N 3.17Å; R449-E510 IonicContact CZ-OE1 3.6Å; R449-E510 VanDerWaalsContact CZ-OE1 3.29Å; R449-E510 IonicContact NE-OE1 3.41Å; R449-E510 PolarHBondContact NE-OE1 3Å; R449-E510 IonicContact NH2-OE1 3.85Å; R449-E510 PolarHBondContact NH2-OE1 3.44Å
450L94Very high89.5Confident39 Ų3967.4 Ų67.420%0.20438%0.375CS..EExtended strand (participates in β ladder)trans-138.4146.7-166.7-16664.8000111.4V60 G64 E66 M448 H478 R479V60-L450 HydrophobicContact CG1-CD1 4.08Å; G64-L450 WeakPolarHBondContact O-CD2 3.2Å; G64-L450 WeakPolarHBondContact O-CG 3.41Å; E66-L450 HydrophobicContact CG-CD1 4.07Å; E66-L450 HydrophobicContact CG-CD2 4.08Å; M448-L450 PolarHBondContact O-N 3.3Å; M448-L450 HydrophobicContact SD-CD1 4.38Å; L450-H478 VanDerWaalsContact CA-O 3.31Å; L450-H478 WeakPolarHBondContact CA-O 3.24Å; L450-R479 HydrophobicContact CD1-CB 3.93Å; L450-R479 HydrophobicContact CD1-CG 3.77Å
451G95.3Very high90Very high1 Ų171.4 Ų71.41%0.0140%0.397CS..EExtended strand (participates in β ladder)trans83.1-167.2176.200000113.5R477 H478G451-R477 CarbonylContact O-C 3.54Å; G451-R477 WeakPolarHBondContact O-CA 3.31Å; G451-H478 PolarHBondContact N-O 2.74Å; G451-H478 VanDerWaalsContact N-O 3.08Å; G451-H478 PolarHBondContact O-N 2.72Å
452K96.1Very high90.7Very high47 Ų4765.2 Ų65.220%0.20436%0.357CS..EExtended strand (participates in β ladder)trans-75.5127.2-175.2-173.9175.8174.9-167.90110.9D62 E475 E476D62-K452 HydrophobicContact CB-CB 4.07Å; D62-K452 HydrophobicContact CB-CD 4.34Å; D62-K452 WeakPolarHBondContact O-CB 3.34Å; D62-K452 PolarHBondContact O-N 3.27Å; K452-E475 HydrophobicContact CD-CB 4.32Å; K452-E475 WeakPolarHBondContact CE-OE2 3.46Å; K452-E475 HydrophobicContact CG-CB 4.16Å; K452-E475 VanDerWaalsContact NZ-CD 3.34Å; K452-E475 IonicContact NZ-OE1 3.69Å; K452-E475 IonicContact NZ-OE2 3.08Å; K452-E475 PolarHBondContact NZ-OE2 3.06Å; K452-E476 WeakPolarHBondContact CA-O 3.29Å
453R96Very high91.5Very high80 Ų8063.1 Ų63.130%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-132.3153.9177.4-58.8-66.5-173.1161-0.1110.1E438 E475 E476E438-R453 IonicContact OE1-CZ 3.92Å; E438-R453 IonicContact OE1-NE 2.71Å; E438-R453 IonicContact OE1-NH2 3.8Å; E438-R453 IonicContact OE2-CZ 3.84Å; E438-R453 IonicContact OE2-NH2 2.74Å; E438-R453 PolarHBondContact OE2-NH2 3.49Å; R453-E475 VanDerWaalsContact O-CA 3.31Å; R453-E475 WeakPolarHBondContact O-CA 3.42Å; R453-E476 PolarHBondContact N-O 3.06Å; R453-E476 PolarHBondContact O-N 2.64Å; R453-E476 VanDerWaalsContact O-N 3.17Å
454R97.2Very high92.3Very high87 Ų8757.6 Ų57.633%0.32830%0.299SS..EExtended strand (participates in β ladder)trans-88.9136.7175-178.3176.7-89.5167.2-6.6109.9L456 F473 L474 E504R454-L456 HydrophobicContact CG-CD2 4.02Å; R454-F473 HydrophobicContact CG-CB 3.88Å; R454-F473 HydrophobicContact CG-CD2 3.82Å; R454-F473 HydrophobicContact CG-CG 4.03Å; R454-L474 WeakPolarHBondContact CA-O 3.43Å; R454-E504 HydrophobicContact CB-CG 4.14Å; R454-E504 WeakPolarHBondContact CD-OE1 3.36Å; R454-E504 HydrophobicContact CG-CG 4.31Å; R454-E504 IonicContact NH1-OE1 3.13Å
455T97.6Very high93.3Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-123.9123.2173.2-61.60000108.8F473 L474 Q502 E510 V511T455-F473 CarbonylContact O-C 3.59Å; T455-F473 WeakPolarHBondContact O-CA 3.27Å; T455-F473 WeakPolarHBondContact O-CB 3.31Å; T455-L474 HydrophobicContact CG2-CD1 4.42Å; T455-L474 HydrophobicContact CG2-CG 4.38Å; T455-L474 PolarHBondContact N-O 3.02Å; T455-L474 PolarHBondContact O-N 3.26Å; T455-Q502 CarbonylContact C-O 3.51Å; T455-Q502 VanDerWaalsContact CA-O 3.27Å; T455-Q502 WeakPolarHBondContact CA-O 3.43Å; T455-Q502 WeakPolarHBondContact CG2-O 3.45Å; T455-E510 HydrophobicContact CG2-CB 3.58Å; T455-E510 HydrophobicContact CG2-CG 4.08Å; T455-V511 HydrophobicContact CG2-CG2 4.33Å
456L98.1Very high93.9Very high57 Ų5749 Ų4930%0.29824%0.244SC..EExtended strand (participates in β ladder)trans-91130.2-179.3-54.5-177.9000110.7R454 Q458 F473 G501 Q502R454-L456 HydrophobicContact CG-CD2 4.02Å; L456-Q458 PolarHBondContact O-NE2 2.81Å; L456-F473 HydrophobicContact CD2-CB 3.64Å; L456-G501 WeakPolarHBondContact O-CA 2.99Å; L456-Q502 PolarHBondContact N-O 3.36Å; L456-Q502 PolarHBondContact O-N 3.37Å
457F97.6Very high94.6Very high22 Ų2247.2 Ų47.210%0.09623%0.225CC..EExtended strand (participates in β ladder)trans-75.5131.2172.6-74.6-71.3000111M464 R465 Y468 H471 D472 L474 V500F457-M464 HydrophobicContact CE1-CB 3.98Å; F457-M464 HydrophobicContact CZ-CB 4.27Å; F457-R465 HydrophobicContact CD1-CB 3.91Å; F457-R465 HydrophobicContact CD2-CB 4.11Å; F457-R465 HydrophobicContact CD2-CG 3.98Å; F457-R465 HydrophobicContact CE1-CB 3.92Å; F457-R465 HydrophobicContact CE2-CB 4.12Å; F457-R465 HydrophobicContact CE2-CG 4.27Å; F457-R465 HydrophobicContact CG-CB 4Å; F457-R465 HydrophobicContact CG-CG 4.11Å; F457-R465 VanDerWaalsContact CZ-CA 3.47Å; F457-R465 HydrophobicContact CZ-CB 4Å; F457-Y468 HydrophobicContact CZ-CD2 4.12Å; F457-H471 WeakPolarHBondContact CD2-O 3.45Å; F457-D472 PolarHBondContact N-O 2.94Å; F457-L474 HydrophobicContact CE1-CD2 4.29Å; F457-L474 HydrophobicContact CE2-CB 4.4Å; F457-L474 HydrophobicContact CE2-CD2 3.96Å; F457-L474 HydrophobicContact CE2-CG 4.49Å; F457-L474 HydrophobicContact CZ-CD2 3.59Å; F457-V500 CarbonylContact C-O 3.59Å; F457-V500 WeakPolarHBondContact CA-O 3.19Å
458Q95.1Very high94.9Very high100 Ų10047.3 Ų47.347%0.46722%0.223SC..  trans-93.3-19.1-175.3-59-63.6-46.700112.7L456 V500 Q502L456-Q458 PolarHBondContact O-NE2 2.81Å; Q458-V500 PolarHBondContact N-O 3.18Å; Q458-Q502 HydrophobicContact CG-CB 4.23Å; Q458-Q502 HydrophobicContact CG-CG 3.99Å
459T93.6Very high95Very high54 Ų5446.3 Ų46.333%0.33123%0.227SC..  trans-136.8148.5-177.8178.40000111N461 R465 V500T459-N461 PolarHBondContact OG1-N 3.25Å; T459-N461 VanDerWaalsContact OG1-N 3.12Å; T459-R465 WeakPolarHBondContact O-CD 3.31Å; T459-V500 HydrophobicContact CG2-CB 3.86Å; T459-V500 HydrophobicContact CG2-CG1 3.63Å
460K91.7Very high94.9Very high167 Ų16749.6 Ų49.673%0.72625%0.246SC*.SBendtrans-77-25.8171.6-65.1-173.3178.7-176.50112.3S462K460-S462 PolarHBondContact O-N 2.98Å
461N92.9Very high94.8Very high134 Ų13450.8 Ų50.872%0.71725%0.25SS*.  trans-87.977.7177.7-172.937.8000109.3T459T459-N461 PolarHBondContact OG1-N 3.25Å; T459-N461 VanDerWaalsContact OG1-N 3.12Å
462S95.4Very high94.8Very high5 Ų555.8 Ų55.84%0.03528%0.277CS..  trans-142129.2177158.80000109.4K460 M464 R465 T466 E513K460-S462 PolarHBondContact O-N 2.98Å; S462-M464 PolarHBondContact O-N 3.42Å; S462-M464 PolarHBondContact OG-N 3.48Å; S462-R465 PolarHBondContact O-N 2.95Å; S462-R465 PolarHBondContact OG-N 3.01Å; S462-T466 PolarHBondContact O-N 3.16Å; S462-T466 PolarHBondContact O-OG1 2.83Å; S462-E513 WeakPolarHBondContact CA-OE2 3.48Å; S462-E513 WeakPolarHBondContact CB-OE1 3.44Å; S462-E513 PolarHBondContact OG-OE1 3.44Å
463I95.4Very high94.8Very high42 Ų4255.2 Ų55.222%0.21527%0.274CS..Hα-helixtrans-62.4-40.5174.9-65.3173.5000109.1T466 L467 E513 F519 L551I463-T466 PolarHBondContact O-N 2.92Å; I463-L467 HydrophobicContact CG2-CD1 3.87Å; I463-L467 HydrophobicContact CG2-CG 4.26Å; I463-L467 VanDerWaalsContact O-CG 3.32Å; I463-L467 WeakPolarHBondContact O-CG 3.43Å; I463-L467 PolarHBondContact O-N 2.81Å; I463-E513 PolarHBondContact N-OE1 3.02Å; I463-E513 VanDerWaalsContact N-OE1 3.16Å; I463-E513 PolarHBondContact N-OE2 2.88Å; I463-E513 VanDerWaalsContact N-OE2 3.09Å; I463-F519 HydrophobicContact CG2-CD2 4.24Å; I463-F519 HydrophobicContact CG2-CE2 4.2Å; I463-L551 HydrophobicContact CG2-CD2 4.37Å
464M96Very high94.8Very high0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-62-45.7178.4-68.2-48.6-5200112.1F457 S462 T466 L467 Y468 V511 E513 V521 P539F457-M464 HydrophobicContact CE1-CB 3.98Å; F457-M464 HydrophobicContact CZ-CB 4.27Å; S462-M464 PolarHBondContact O-N 3.42Å; S462-M464 PolarHBondContact OG-N 3.48Å; M464-T466 VanDerWaalsContact C-N 3.3Å; M464-T466 PolarHBondContact O-N 2.92Å; M464-L467 PolarHBondContact O-N 3.29Å; M464-L467 VanDerWaalsContact O-N 3.16Å; M464-L467 HydrophobicContact SD-CD1 4.12Å; M464-Y468 HydrophobicContact CE-CD2 3.93Å; M464-Y468 HydrophobicContact CE-CE2 3.47Å; M464-Y468 VanDerWaalsContact CE-CE2 3.47Å; M464-Y468 VanDerWaalsContact O-CD2 3.28Å; M464-Y468 WeakPolarHBondContact O-CD2 3.48Å; M464-Y468 PolarHBondContact O-N 2.87Å; M464-V511 HydrophobicContact CB-CG1 4.3Å; M464-V511 HydrophobicContact CG-CG1 3.95Å; M464-E513 WeakPolarHBondContact CB-OE1 3.16Å; M464-E513 VanDerWaalsContact CG-OE1 3.3Å; M464-E513 WeakPolarHBondContact CG-OE1 3.35Å; M464-E513 PolarHBondContact N-OE1 3.21Å; M464-V521 HydrophobicContact CG-CG1 3.7Å; M464-V521 HydrophobicContact CG-CG2 4.16Å; M464-V521 HydrophobicContact SD-CB 4.38Å; M464-V521 HydrophobicContact SD-CG1 3.69Å; M464-V521 HydrophobicContact SD-CG2 3.98Å; M464-P539 HydrophobicContact CE-CB 3.86Å; M464-P539 HydrophobicContact CE-CG 3.49Å; M464-P539 VanDerWaalsContact CE-CG 3.49Å
465R95.9Very high94.7Very high30 Ų3050.4 Ų50.411%0.11326%0.259CS..Hα-helixtrans-55.8-45.5176.6-176.6172.2-176-89.1-2.8111.9F457 T459 S462 Y468 G469 D470 H471 D472F457-R465 HydrophobicContact CD1-CB 3.91Å; F457-R465 HydrophobicContact CD2-CB 4.11Å; F457-R465 HydrophobicContact CD2-CG 3.98Å; F457-R465 HydrophobicContact CE1-CB 3.92Å; F457-R465 HydrophobicContact CE2-CB 4.12Å; F457-R465 HydrophobicContact CE2-CG 4.27Å; F457-R465 HydrophobicContact CG-CB 4Å; F457-R465 HydrophobicContact CG-CG 4.11Å; F457-R465 VanDerWaalsContact CZ-CA 3.47Å; F457-R465 HydrophobicContact CZ-CB 4Å; T459-R465 WeakPolarHBondContact O-CD 3.31Å; S462-R465 PolarHBondContact O-N 2.95Å; S462-R465 PolarHBondContact OG-N 3.01Å; R465-Y468 CarbonylContact O-C 3.6Å; R465-Y468 PolarHBondContact O-N 2.97Å; R465-G469 PolarHBondContact O-N 2.75Å; R465-D470 IonicContact NH1-OD1 2.68Å; R465-D470 PolarHBondContact NH2-O 2.78Å; R465-D470 WeakPolarHBondContact O-CA 3.44Å; R465-D470 PolarHBondContact O-N 2.9Å; R465-H471 PolarHBondContact NE-O 3.03Å; R465-D472 IonicContact CZ-OD1 3.3Å; R465-D472 IonicContact NE-OD1 2.76Å; R465-D472 IonicContact NH2-OD1 3.06Å; R465-D472 PolarHBondContact NH2-OD1 2.84Å
466T94.8Very high94.7Very high33 Ų3350.7 Ų50.720%0.20226%0.261CS..Hα-helixtrans-68.2-37.4178.8-60.10000112.6S462 I463 M464 Y468 G469 D470 L555 C559S462-T466 PolarHBondContact O-N 3.16Å; S462-T466 PolarHBondContact O-OG1 2.83Å; I463-T466 PolarHBondContact O-N 2.92Å; M464-T466 VanDerWaalsContact C-N 3.3Å; M464-T466 PolarHBondContact O-N 2.92Å; T466-Y468 VanDerWaalsContact C-N 3.29Å; T466-Y468 PolarHBondContact O-N 3.3Å; T466-G469 PolarHBondContact O-N 2.82Å; T466-D470 WeakPolarHBondContact CA-OD1 3.45Å; T466-D470 PolarHBondContact OG1-OD1 2.94Å; T466-L555 HydrophobicContact CG2-CD2 3.61Å; T466-C559 VanDerWaalsContact CG2-SG 3.54Å; T466-C559 PolarHBondContact O-SG 3.29Å
467L94.2Very high94.7Very high1 Ų148 Ų481%0.00525%0.246CC..Hα-helixtrans-65.6-32.5174-71.5173.5000112.6I463 M464 G469 F519 P538 L551 Y554 F585I463-L467 HydrophobicContact CG2-CD1 3.87Å; I463-L467 HydrophobicContact CG2-CG 4.26Å; I463-L467 VanDerWaalsContact O-CG 3.32Å; I463-L467 WeakPolarHBondContact O-CG 3.43Å; I463-L467 PolarHBondContact O-N 2.81Å; M464-L467 PolarHBondContact O-N 3.29Å; M464-L467 VanDerWaalsContact O-N 3.16Å; M464-L467 HydrophobicContact SD-CD1 4.12Å; L467-G469 PolarHBondContact O-N 2.75Å; L467-F519 HydrophobicContact CD1-CE2 4.26Å; L467-P538 HydrophobicContact CB-CB 4.06Å; L467-L551 HydrophobicContact CD2-CD1 4.4Å; L467-Y554 HydrophobicContact CD2-CD1 4.35Å; L467-Y554 HydrophobicContact CD2-CE1 3.99Å; L467-F585 WeakPolarHBondContact O-CE2 3.37Å
468Y93.4Very high94.7Very high24 Ų2447 Ų479%0.09424%0.242CC..THydrogen-bonded Turntrans-816.4172-81.6-81.6000113.4F457 M464 R465 T466 H471 L474 E476 Y525 P538 P539F457-Y468 HydrophobicContact CZ-CD2 4.12Å; M464-Y468 HydrophobicContact CE-CD2 3.93Å; M464-Y468 HydrophobicContact CE-CE2 3.47Å; M464-Y468 VanDerWaalsContact CE-CE2 3.47Å; M464-Y468 VanDerWaalsContact O-CD2 3.28Å; M464-Y468 WeakPolarHBondContact O-CD2 3.48Å; M464-Y468 PolarHBondContact O-N 2.87Å; R465-Y468 CarbonylContact O-C 3.6Å; R465-Y468 PolarHBondContact O-N 2.97Å; T466-Y468 VanDerWaalsContact C-N 3.29Å; T466-Y468 PolarHBondContact O-N 3.3Å; Y468-H471 PolarHBondContact O-CD2 2.94Å; Y468-L474 HydrophobicContact CD1-CB 4.15Å; Y468-L474 HydrophobicContact CD2-CD2 4.08Å; Y468-L474 HydrophobicContact CE1-CB 4.18Å; Y468-L474 HydrophobicContact CE2-CD2 3.84Å; Y468-L474 HydrophobicContact CG-CB 4.43Å; Y468-E476 PolarHBondContact OH-OE1 2.85Å; Y468-Y525 PolarHBondContact OH-OH 2.79Å; Y468-P538 HydrophobicContact CD1-CB 4.28Å; Y468-P538 HydrophobicContact CD1-CG 3.8Å; Y468-P538 HydrophobicContact CD2-CB 4.06Å; Y468-P538 HydrophobicContact CD2-CG 4.46Å; Y468-P538 HydrophobicContact CE1-CB 4.16Å; Y468-P538 HydrophobicContact CE1-CG 3.63Å; Y468-P538 HydrophobicContact CE2-CB 3.92Å; Y468-P538 HydrophobicContact CE2-CG 4.31Å; Y468-P538 HydrophobicContact CG-CB 4.23Å; Y468-P538 HydrophobicContact CG-CG 4.21Å; Y468-P539 HydrophobicContact CE2-CG 4.32Å; Y468-P539 WeakPolarHBondContact OH-CD 3.27Å
469G91.4Very high94.7Very high36 Ų3643.7 Ų43.737%0.37123%0.225SC..THydrogen-bonded Turntrans85.827.1174.500000115.2R465 T466 L467 H471R465-G469 PolarHBondContact O-N 2.75Å; T466-G469 PolarHBondContact O-N 2.82Å; L467-G469 PolarHBondContact O-N 2.75Å; G469-H471 PolarHBondContact O-N 3.37Å
470D92.2Very high94.7Very high83 Ų8341.3 Ų41.344%0.44421%0.21SC..SBendtrans62.921.2178-64.3-46.1000115.5R465 T466R465-D470 IonicContact NH1-OD1 2.68Å; R465-D470 PolarHBondContact NH2-O 2.78Å; R465-D470 WeakPolarHBondContact O-CA 3.44Å; R465-D470 PolarHBondContact O-N 2.9Å; T466-D470 WeakPolarHBondContact CA-OD1 3.45Å; T466-D470 PolarHBondContact OG1-OD1 2.94Å
471H91.1Very high94.7Very high63 Ų6338.3 Ų38.329%0.29219%0.194SC..  trans-65.4153.6170-64.8-53.4000112F457 R465 Y468 G469 F473F457-H471 WeakPolarHBondContact CD2-O 3.45Å; R465-H471 PolarHBondContact NE-O 3.03Å; Y468-H471 PolarHBondContact O-CD2 2.94Å; G469-H471 PolarHBondContact O-N 3.37Å; H471-F473 VanDerWaalsContact C-N 3.33Å; H471-F473 WeakPolarHBondContact CB-O 3.45Å
472D94.6Very high94.8Very high106 Ų10633.6 Ų33.657%0.56717%0.167SC*.SBendtrans-81.8-16.4178.8-64.7-30.2000112.6F457 R465F457-D472 PolarHBondContact N-O 2.94Å; R465-D472 IonicContact CZ-OD1 3.3Å; R465-D472 IonicContact NE-OD1 2.76Å; R465-D472 IonicContact NH2-OD1 3.06Å; R465-D472 PolarHBondContact NH2-OD1 2.84Å
473F96.4Very high94.9Very high36 Ų3633.4 Ų33.416%0.15817%0.166CC..EExtended strand (participates in β ladder)trans-141.6160174.569.6-91.1000111.3R454 T455 L456 H471 E475 V588R454-F473 HydrophobicContact CG-CB 3.88Å; R454-F473 HydrophobicContact CG-CD2 3.82Å; R454-F473 HydrophobicContact CG-CG 4.03Å; T455-F473 CarbonylContact O-C 3.59Å; T455-F473 WeakPolarHBondContact O-CA 3.27Å; T455-F473 WeakPolarHBondContact O-CB 3.31Å; L456-F473 HydrophobicContact CD2-CB 3.64Å; H471-F473 VanDerWaalsContact C-N 3.33Å; H471-F473 WeakPolarHBondContact CB-O 3.45Å; F473-E475 HydrophobicContact CD2-CG 3.97Å; F473-E475 HydrophobicContact CE2-CG 3.89Å; F473-V588 HydrophobicContact CE2-CG1 4.32Å; F473-V588 HydrophobicContact CZ-CB 4.42Å; F473-V588 HydrophobicContact CZ-CG1 3.99Å
474L95.7Very high95Very high5 Ų531.4 Ų31.43%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-121.6161.5166.564.386.7000109.3R454 T455 F457 Y468 E476 V511 Y525R454-L474 WeakPolarHBondContact CA-O 3.43Å; T455-L474 HydrophobicContact CG2-CD1 4.42Å; T455-L474 HydrophobicContact CG2-CG 4.38Å; T455-L474 PolarHBondContact N-O 3.02Å; T455-L474 PolarHBondContact O-N 3.26Å; F457-L474 HydrophobicContact CE1-CD2 4.29Å; F457-L474 HydrophobicContact CE2-CB 4.4Å; F457-L474 HydrophobicContact CE2-CD2 3.96Å; F457-L474 HydrophobicContact CE2-CG 4.49Å; F457-L474 HydrophobicContact CZ-CD2 3.59Å; Y468-L474 HydrophobicContact CD1-CB 4.15Å; Y468-L474 HydrophobicContact CD2-CD2 4.08Å; Y468-L474 HydrophobicContact CE1-CB 4.18Å; Y468-L474 HydrophobicContact CE2-CD2 3.84Å; Y468-L474 HydrophobicContact CG-CB 4.43Å; L474-E476 HydrophobicContact CD1-CB 4.01Å; L474-E476 HydrophobicContact CD1-CG 3.6Å; L474-V511 HydrophobicContact CD2-CG2 4.5Å; L474-Y525 HydrophobicContact CD1-CD1 4.16Å; L474-Y525 HydrophobicContact CD1-CE1 3.71Å; L474-Y525 HydrophobicContact CD2-CE1 4.07Å
475E96.5Very high95Very high60 Ų6032 Ų3228%0.2816%0.159SC..EExtended strand (participates in β ladder)trans-130.4119.8171.9-51.8-179.6108.100110.1K452 R453 F473 L530K452-E475 HydrophobicContact CD-CB 4.32Å; K452-E475 WeakPolarHBondContact CE-OE2 3.46Å; K452-E475 HydrophobicContact CG-CB 4.16Å; K452-E475 VanDerWaalsContact NZ-CD 3.34Å; K452-E475 IonicContact NZ-OE1 3.69Å; K452-E475 IonicContact NZ-OE2 3.08Å; K452-E475 PolarHBondContact NZ-OE2 3.06Å; R453-E475 VanDerWaalsContact O-CA 3.31Å; R453-E475 WeakPolarHBondContact O-CA 3.42Å; F473-E475 HydrophobicContact CD2-CG 3.97Å; F473-E475 HydrophobicContact CE2-CG 3.89Å; E475-L530 WeakPolarHBondContact O-CD1 3.39Å
476E97.6Very high95Very high7 Ų732.7 Ų32.73%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-138.8168.1-174.5-73.3-76.2-178.900110.2K452 R453 Y468 L474 H478 Y525 L530K452-E476 WeakPolarHBondContact CA-O 3.29Å; R453-E476 PolarHBondContact N-O 3.06Å; R453-E476 PolarHBondContact O-N 2.64Å; R453-E476 VanDerWaalsContact O-N 3.17Å; Y468-E476 PolarHBondContact OH-OE1 2.85Å; L474-E476 HydrophobicContact CD1-CB 4.01Å; L474-E476 HydrophobicContact CD1-CG 3.6Å; E476-H478 PolarHBondContact O-CD2 3.45Å; E476-Y525 HydrophobicContact CB-CD1 4.03Å; E476-Y525 HydrophobicContact CB-CD2 3.47Å; E476-Y525 VanDerWaalsContact CB-CD2 3.47Å; E476-Y525 HydrophobicContact CB-CE2 4.11Å; E476-Y525 HydrophobicContact CB-CG 3.44Å; E476-Y525 VanDerWaalsContact CB-CG 3.44Å; E476-Y525 HydrophobicContact CG-CD1 4.38Å; E476-Y525 HydrophobicContact CG-CD2 3.52Å; E476-Y525 HydrophobicContact CG-CE1 4.45Å; E476-Y525 HydrophobicContact CG-CE2 3.63Å; E476-Y525 HydrophobicContact CG-CG 3.93Å; E476-L530 WeakPolarHBondContact OE2-CD1 3.38Å
477R97.6Very high95Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-95.2132.2-176.5-63.1-176.6-175.9159.71.3111.2F59 V60 D62 E75 G451 Y525 H526 F529 L530F59-R477 VanDerWaalsContact CE1-NH1 3.33Å; V60-R477 HydrophobicContact CG1-CB 4.33Å; V60-R477 WeakPolarHBondContact O-CD 3.46Å; V60-R477 PolarHBondContact O-NE 3.02Å; V60-R477 PolarHBondContact O-NH1 2.79Å; D62-R477 IonicContact OD1-CZ 2.9Å; D62-R477 IonicContact OD1-NE 3.43Å; D62-R477 PolarHBondContact OD1-NE 2.91Å; D62-R477 IonicContact OD1-NH2 3.91Å; D62-R477 PolarHBondContact OD1-NH2 2.83Å; E75-R477 IonicContact OE1-CZ 3.88Å; E75-R477 IonicContact OE1-NH1 3.1Å; E75-R477 IonicContact OE1-NH2 2.8Å; E75-R477 PolarHBondContact OE1-NH2 3.04Å; E75-R477 IonicContact OE2-CZ 3.99Å; E75-R477 VanDerWaalsContact OE2-CZ 3.27Å; E75-R477 IonicContact OE2-NH1 3.78Å; E75-R477 PolarHBondContact OE2-NH1 3.3Å; E75-R477 IonicContact OE2-NH2 2.55Å; E75-R477 PolarHBondContact OE2-NH2 3.12Å; G451-R477 CarbonylContact O-C 3.54Å; G451-R477 WeakPolarHBondContact O-CA 3.31Å; R477-Y525 WeakPolarHBondContact O-CB 3.32Å; R477-H526 PolarHBondContact O-N 3.36Å; R477-F529 HydrophobicContact CB-CD2 4.07Å; R477-L530 HydrophobicContact CG-CD2 4.42Å
478H96.8Very high95Very high0 Ų040.3 Ų40.30%020%0.201CC..EExtended strand (participates in β ladder)trans-109.1152.5179.4-62.2-107.6000110.9R449 L450 G451 E476 H480 E510R449-H478 HydrophobicContact CG-CB 3.92Å; R449-H478 CarbonylContact O-C 3.55Å; L450-H478 VanDerWaalsContact CA-O 3.31Å; L450-H478 WeakPolarHBondContact CA-O 3.24Å; G451-H478 PolarHBondContact N-O 2.74Å; G451-H478 VanDerWaalsContact N-O 3.08Å; G451-H478 PolarHBondContact O-N 2.72Å; E476-H478 PolarHBondContact O-CD2 3.45Å; H478-H480 AromaticContact ND1-NE2 3.49Å; H478-H480 PolarHBondContact ND1-NE2 3.01Å; H478-E510 VanDerWaalsContact CE1-CD 3.49Å; H478-E510 IonicContact CE1-OE1 2.92Å; H478-E510 IonicContact CE1-OE2 3Å; H478-E510 PolarHBondContact CE1-OE2 3.04Å; H478-E510 IonicContact ND1-OE1 3.61Å; H478-E510 IonicContact ND1-OE2 3.63Å; H478-E510 PolarHBondContact ND1-OE2 3.24Å
479R94.8Very high95Very high31 Ų3141.4 Ų41.412%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-157.976.2171.7-174.7-177.4-174.7-97.2-5.7109.9G48 V60 E66 F373 M448 R449 L450G48-R479 PolarHBondContact O-NH2 2.94Å; V60-R479 HydrophobicContact CG2-CB 3.89Å; V60-R479 HydrophobicContact CG2-CG 4.18Å; E66-R479 IonicContact OE1-CZ 2.87Å; E66-R479 IonicContact OE1-NE 2.63Å; E66-R479 PolarHBondContact OE1-NE 2.71Å; E66-R479 IonicContact OE1-NH2 3.85Å; E66-R479 PolarHBondContact OE1-NH2 2.85Å; F373-R479 VanDerWaalsContact CE2-NH1 3.33Å; M448-R479 HydrophobicContact SD-CG 3.74Å; R449-R479 WeakPolarHBondContact O-CA 3.29Å; R449-R479 PolarHBondContact O-N 2.83Å; L450-R479 HydrophobicContact CD1-CB 3.93Å; L450-R479 HydrophobicContact CD1-CG 3.77Å
480H93.9Very high95.1Very high4 Ų442.4 Ų42.42%0.01921%0.208CC..EExtended strand (participates in β ladder)trans-159.9173.3-179.164.468.1000111.9M448 R449 H478 E483 Q524M448-H480 WeakPolarHBondContact CG-O 3.21Å; R449-H480 PolarHBondContact N-O 2.96Å; R449-H480 PolarHBondContact O-N 3.49Å; R449-H480 VanDerWaalsContact O-N 3.17Å; H478-H480 AromaticContact ND1-NE2 3.49Å; H478-H480 PolarHBondContact ND1-NE2 3.01Å; H480-E483 IonicContact CE1-OE1 3.52Å; H480-E483 PolarHBondContact CE1-OE1 3.24Å; H480-E483 IonicContact CE1-OE2 3Å; H480-Q524 PolarHBondContact CD2-O 3.16Å
481R92.8Very high95.3Very high104 Ų10440.2 Ų40.239%0.39220%0.199SC..SBendtrans-125.3-22.6-179.3-68.9-176.255.7165.5-3.8114.2D435 M436 M448D435-R481 IonicContact OD1-NE 3.57Å; D435-R481 IonicContact OD1-NH2 3.98Å; D435-R481 IonicContact OD2-CZ 2.87Å; D435-R481 IonicContact OD2-NH2 2.97Å; D435-R481 PolarHBondContact OD2-NH2 3.33Å; M436-R481 PolarHBondContact N-O 3.48Å; M436-R481 VanDerWaalsContact N-O 3.12Å; M448-R481 HydrophobicContact CB-CG 4.15Å; M448-R481 HydrophobicContact CE-CG 4.21Å; M448-R481 HydrophobicContact CG-CG 3.89Å
482F95.4Very high95.6Very high35 Ų3537.2 Ų37.215%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-104136.6-169.7-68.9-85.8000110Q403 E423 V433 I434 D435Q403-F482 PolarHBondContact NE2-O 2.88Å; E423-F482 HydrophobicContact CB-CD1 4.17Å; E423-F482 HydrophobicContact CB-CD2 4.19Å; E423-F482 HydrophobicContact CB-CE1 3.7Å; E423-F482 HydrophobicContact CB-CE2 3.73Å; E423-F482 HydrophobicContact CB-CG 4.41Å; E423-F482 HydrophobicContact CB-CZ 3.47Å; E423-F482 VanDerWaalsContact CB-CZ 3.47Å; E423-F482 HydrophobicContact CG-CD2 4.34Å; E423-F482 HydrophobicContact CG-CE1 4.42Å; E423-F482 HydrophobicContact CG-CE2 3.62Å; E423-F482 HydrophobicContact CG-CZ 3.69Å; V433-F482 HydrophobicContact CG1-CB 3.76Å; I434-F482 WeakPolarHBondContact O-CA 3.45Å; D435-F482 HydrophobicContact CB-CD1 3.99Å; D435-F482 HydrophobicContact CB-CE1 3.66Å; D435-F482 HydrophobicContact CB-CZ 4.38Å
483E96.8Very high95.6Very high1 Ų134.7 Ų34.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-124155.4-176.9-66.3-70.3-168.500110.8V433 I434 M436 H480 N485 R508V433-E483 CarbonylContact C-O 3.54Å; V433-E483 VanDerWaalsContact CA-O 3.25Å; V433-E483 WeakPolarHBondContact CA-O 3.37Å; I434-E483 PolarHBondContact N-O 3.21Å; I434-E483 PolarHBondContact O-N 3.27Å; M436-E483 HydrophobicContact CB-CB 3.99Å; M436-E483 HydrophobicContact CB-CG 3.9Å; M436-E483 HydrophobicContact CE-CB 4.27Å; M436-E483 HydrophobicContact SD-CB 4.29Å; M436-E483 HydrophobicContact SD-CG 4.27Å; H480-E483 IonicContact CE1-OE1 3.52Å; H480-E483 PolarHBondContact CE1-OE1 3.24Å; H480-E483 IonicContact CE1-OE2 3Å; E483-N485 PolarHBondContact O-N 3.34Å; E483-R508 HydrophobicContact CG-CG 3.99Å; E483-R508 VanDerWaalsContact OE1-CD 3.27Å; E483-R508 WeakPolarHBondContact OE1-CD 3.42Å; E483-R508 IonicContact OE1-NE 3.66Å
484V96.9Very high95.6Very high0 Ų040.1 Ų40.10%020%0.196CC..EExtended strand (participates in β ladder)trans-63.7133.7169.5177.30000108.5M402 V406 P486 F499 M509M402-V484 HydrophobicContact CE-CG2 3.89Å; V406-V484 HydrophobicContact CG1-CG1 4.23Å; V406-V484 HydrophobicContact CG1-CG2 4.48Å; V406-V484 HydrophobicContact CG2-CG2 4Å; V484-P486 WeakPolarHBondContact O-CD 3.48Å; V484-P486 VanDerWaalsContact O-N 3.15Å; V484-F499 HydrophobicContact CG1-CE1 4.13Å; V484-F499 HydrophobicContact CG1-CZ 3.87Å; V484-F499 HydrophobicContact CG2-CE1 4.32Å; V484-M509 HydrophobicContact CB-CB 4.44Å
485N96.8Very high95.7Very high13 Ų1345 Ų457%0.0722%0.218CC..  trans-63.7113.7179.3-175.7-9.7000110.4P431 V432 I434 E483 E487 L488P431-N485 VanDerWaalsContact O-CB 3.25Å; P431-N485 WeakPolarHBondContact O-CB 3.43Å; P431-N485 PolarHBondContact O-ND2 2.91Å; P431-N485 VanDerWaalsContact O-ND2 3.08Å; V432-N485 PolarHBondContact O-N 2.82Å; I434-N485 HydrophobicContact CD1-CB 4.18Å; I434-N485 HydrophobicContact CG1-CB 4.24Å; I434-N485 HydrophobicContact CG2-CB 4.2Å; E483-N485 PolarHBondContact O-N 3.34Å; N485-E487 PolarHBondContact O-N 3.04Å; N485-E487 WeakPolarHBondContact OD1-CB 3.29Å; N485-E487 PolarHBondContact OD1-N 3Å; N485-E487 VanDerWaalsContact OD1-N 3.14Å; N485-L488 HydrophobicContact CB-CD1 4.23Å; N485-L488 HydrophobicContact CB-CG 4.4Å; N485-L488 PolarHBondContact O-N 3.46Å; N485-L488 VanDerWaalsContact O-N 3.09Å
486P94.5Very high95.6Very high45 Ų4542.6 Ų42.629%0.29221%0.21SC..G310 helixtrans-63.9-27.1-174.3-22.836.1000112.9M436 V484 L488 K489 E507M436-P486 HydrophobicContact CE-CG 3.81Å; V484-P486 WeakPolarHBondContact O-CD 3.48Å; V484-P486 VanDerWaalsContact O-N 3.15Å; P486-L488 PolarHBondContact O-N 2.74Å; P486-K489 WeakPolarHBondContact O-CB 3.18Å; P486-K489 PolarHBondContact O-N 3.03Å; P486-E507 WeakPolarHBondContact CG-O 2.95Å
487E95.3Very high95.6Very high163 Ų16342.3 Ų42.376%0.76221%0.208SC*.G310 helixtrans-63.5-26.5178.1-61.5-175.2167.700112.6N485N485-E487 PolarHBondContact O-N 3.04Å; N485-E487 WeakPolarHBondContact OD1-CB 3.29Å; N485-E487 PolarHBondContact OD1-N 3Å; N485-E487 VanDerWaalsContact OD1-N 3.14Å
488L94.2Very high95.6Very high30 Ų3045.8 Ų45.816%0.15722%0.224CC..G310 helixtrans-96.2-2.1-177.4-60.7177.5000113W416 V432 N485 P486 S490 C491 F492W416-L488 HydrophobicContact CH2-CD2 4.25Å; W416-L488 HydrophobicContact CZ3-CD1 4.42Å; W416-L488 HydrophobicContact CZ3-CD2 4.35Å; V432-L488 HydrophobicContact CG1-CD1 4.02Å; N485-L488 HydrophobicContact CB-CD1 4.23Å; N485-L488 HydrophobicContact CB-CG 4.4Å; N485-L488 PolarHBondContact O-N 3.46Å; N485-L488 VanDerWaalsContact O-N 3.09Å; P486-L488 PolarHBondContact O-N 2.74Å; L488-S490 PolarHBondContact O-N 3.46Å; L488-C491 WeakPolarHBondContact O-CB 3.5Å; L488-C491 PolarHBondContact O-N 3.38Å; L488-F492 HydrophobicContact CB-CE2 4.02Å; L488-F492 WeakPolarHBondContact O-CD2 3.38Å
489K93.8Very high95.6Very high47 Ų4746 Ų4620%0.20422%0.224CC..Hα-helixtrans-51.2-50-175.9-179.8-166.3173.1178.30112.9P486 C491 F492 E493 F499 M509P486-K489 WeakPolarHBondContact O-CB 3.18Å; P486-K489 PolarHBondContact O-N 3.03Å; K489-C491 VanDerWaalsContact C-N 3.27Å; K489-C491 PolarHBondContact O-N 3.34Å; K489-F492 PolarHBondContact O-N 3.47Å; K489-F492 VanDerWaalsContact O-N 3.13Å; K489-E493 VanDerWaalsContact CE-CD 3.42Å; K489-E493 WeakPolarHBondContact CE-OE1 3.47Å; K489-E493 WeakPolarHBondContact CE-OE2 3.43Å; K489-E493 HydrophobicContact CG-CG 4.41Å; K489-E493 IonicContact NZ-OE1 3.68Å; K489-E493 PolarHBondContact O-N 2.73Å; K489-F499 HydrophobicContact CB-CE2 4.44Å; K489-F499 HydrophobicContact CG-CD2 3.6Å; K489-F499 HydrophobicContact CG-CE2 3.95Å; K489-M509 HydrophobicContact CD-CE 3.7Å; K489-M509 HydrophobicContact CD-SD 3.78Å; K489-M509 HydrophobicContact CG-CE 4.48Å; K489-M509 HydrophobicContact CG-SD 4.19Å
490S94.6Very high95.7Very high58 Ų5844.6 Ų44.641%0.40622%0.219SC..Hα-helixtrans-59.2-38.1-17650.40000112.3L488 F492 E493 E494L488-S490 PolarHBondContact O-N 3.46Å; S490-F492 PolarHBondContact O-N 3.23Å; S490-E493 PolarHBondContact O-N 3.43Å; S490-E494 WeakPolarHBondContact O-CB 3.41Å; S490-E494 VanDerWaalsContact O-CG 3.32Å; S490-E494 WeakPolarHBondContact O-CG 3.31Å; S490-E494 PolarHBondContact O-N 2.75Å
491C95.9Very high95.9Very high36 Ų3644.4 Ų44.424%0.24322%0.218CC..Hα-helixtrans-60.6-34.2179.2-56.40000112.7L414 W416 L488 K489L414-C491 HydrophobicContact CD1-CB 4.25Å; L414-C491 WeakPolarHBondContact CD2-O 3.24Å; W416-C491 HydrophobicContact CH2-CB 3.66Å; W416-C491 HydrophobicContact CZ2-CB 4.3Å; L488-C491 WeakPolarHBondContact O-CB 3.5Å; L488-C491 PolarHBondContact O-N 3.38Å; K489-C491 VanDerWaalsContact C-N 3.27Å; K489-C491 PolarHBondContact O-N 3.34Å
492F96.8Very high96.1Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-77.7-45.6176.9-67.1-76.7000112.1V406 F409 A410 L414 V432 L488 K489 S490 E494 Q495 G496 L497 F499V406-F492 HydrophobicContact CG1-CD1 4.28Å; V406-F492 HydrophobicContact CG1-CD2 4.46Å; V406-F492 HydrophobicContact CG1-CE1 3.63Å; V406-F492 HydrophobicContact CG1-CE2 3.85Å; V406-F492 HydrophobicContact CG1-CZ 3.39Å; F409-F492 AromaticContact CD1-CD1 3.73Å; F409-F492 HydrophobicContact CD1-CD1 3.73Å; F409-F492 HydrophobicContact CD1-CE1 4.21Å; F409-F492 HydrophobicContact CE1-CD1 4.35Å; A410-F492 HydrophobicContact CB-CE1 3.86Å; A410-F492 HydrophobicContact CB-CZ 3.99Å; L414-F492 HydrophobicContact CD1-CD1 3.93Å; L414-F492 HydrophobicContact CD1-CE1 3.79Å; L414-F492 HydrophobicContact CD1-CG 4.46Å; L414-F492 HydrophobicContact CD1-CZ 4.22Å; V432-F492 HydrophobicContact CB-CZ 4.29Å; V432-F492 HydrophobicContact CG1-CE2 4.49Å; V432-F492 HydrophobicContact CG1-CZ 3.88Å; L488-F492 HydrophobicContact CB-CE2 4.02Å; L488-F492 WeakPolarHBondContact O-CD2 3.38Å; K489-F492 PolarHBondContact O-N 3.47Å; K489-F492 VanDerWaalsContact O-N 3.13Å; S490-F492 PolarHBondContact O-N 3.23Å; F492-E494 VanDerWaalsContact C-N 3.29Å; F492-E494 PolarHBondContact O-N 3.09Å; F492-Q495 PolarHBondContact O-N 2.78Å; F492-Q495 VanDerWaalsContact O-N 3.08Å; F492-G496 PolarHBondContact O-N 3.15Å; F492-L497 CarbonylContact C-O 3.54Å; F492-L497 HydrophobicContact CB-CB 4.25Å; F492-L497 HydrophobicContact CB-CD2 4.37Å; F492-L497 HydrophobicContact CD1-CD2 3.85Å; F492-L497 HydrophobicContact CG-CD2 4.39Å; F492-L497 PolarHBondContact O-N 2.74Å; F492-L497 VanDerWaalsContact O-N 3.16Å; F492-F499 HydrophobicContact CB-CE2 3.79Å; F492-F499 HydrophobicContact CB-CZ 4.26Å; F492-F499 HydrophobicContact CD2-CE2 4.17Å; F492-F499 HydrophobicContact CD2-CZ 4.2Å; F492-F499 HydrophobicContact CG-CE2 4.25Å; F492-F499 HydrophobicContact CG-CZ 4.32Å
493E95.4Very high96.1Very high53 Ų5338.6 Ų38.625%0.24820%0.196CC..Hα-helixtrans-63.9-35.4-177-68.1-173.8151.700112K489 S490 Q495 G496 L497 K498 F499K489-E493 VanDerWaalsContact CE-CD 3.42Å; K489-E493 WeakPolarHBondContact CE-OE1 3.47Å; K489-E493 WeakPolarHBondContact CE-OE2 3.43Å; K489-E493 HydrophobicContact CG-CG 4.41Å; K489-E493 IonicContact NZ-OE1 3.68Å; K489-E493 PolarHBondContact O-N 2.73Å; S490-E493 PolarHBondContact O-N 3.43Å; E493-Q495 PolarHBondContact O-N 2.81Å; E493-G496 PolarHBondContact O-N 2.75Å; E493-L497 WeakPolarHBondContact CA-O 3.47Å; E493-L497 PolarHBondContact N-O 2.96Å; E493-K498 HydrophobicContact CB-CD 4.34Å; E493-K498 PolarHBondContact O-NZ 3.25Å; E493-F499 HydrophobicContact CG-CD2 3.93Å
494E95.9Very high95.9Very high150 Ų15044.4 Ų44.470%0.70122%0.224SC*.THydrogen-bonded Turntrans-62.3-27.4175.8-75.9175.2-168.400113.2S490 F492S490-E494 WeakPolarHBondContact O-CB 3.41Å; S490-E494 VanDerWaalsContact O-CG 3.32Å; S490-E494 WeakPolarHBondContact O-CG 3.31Å; S490-E494 PolarHBondContact O-N 2.75Å; F492-E494 VanDerWaalsContact C-N 3.29Å; F492-E494 PolarHBondContact O-N 3.09Å
495Q96.5Very high95.7Very high108 Ų10851.3 Ų51.351%0.50526%0.256SS..THydrogen-bonded Turntrans-99.97.4179.2-62.9-59.3-49.500113.7F409 V413 L414 F492 E493F409-Q495 HydrophobicContact CE1-CB 3.81Å; F409-Q495 HydrophobicContact CZ-CB 3.86Å; V413-Q495 HydrophobicContact CG1-CB 4.19Å; L414-Q495 HydrophobicContact CD2-CB 4.31Å; L414-Q495 HydrophobicContact CD2-CG 3.53Å; F492-Q495 PolarHBondContact O-N 2.78Å; F492-Q495 VanDerWaalsContact O-N 3.08Å; E493-Q495 PolarHBondContact O-N 2.81Å
496G95.6Very high95.4Very high10 Ų1052.2 Ų52.210%0.10327%0.268CS..THydrogen-bonded Turntrans97.11172.400000115.9F492 E493 K498 D515F492-G496 PolarHBondContact O-N 3.15Å; E493-G496 PolarHBondContact O-N 2.75Å; G496-K498 PolarHBondContact O-N 3.08Å; G496-D515 WeakPolarHBondContact CA-OD2 3.46Å; G496-D515 WeakPolarHBondContact O-CB 3.24Å; G496-D515 PolarHBondContact O-N 3.5Å
497L97.3Very high95.3Very high0 Ų055.2 Ų55.20%028%0.278CS..EExtended strand (participates in β ladder)trans-8898.5169.1-169.674.2000108.7V406 F409 F492 E493 V512 L514 F520V406-L497 HydrophobicContact CG2-CD2 4.32Å; F409-L497 HydrophobicContact CB-CD2 3.93Å; F409-L497 HydrophobicContact CD1-CB 4.15Å; F409-L497 HydrophobicContact CD1-CD2 4.09Å; F409-L497 HydrophobicContact CD2-CB 4.21Å; F409-L497 HydrophobicContact CD2-CD1 4.31Å; F409-L497 HydrophobicContact CD2-CD2 4.32Å; F409-L497 HydrophobicContact CE1-CB 3.95Å; F409-L497 HydrophobicContact CE2-CB 4.03Å; F409-L497 HydrophobicContact CG-CB 4.26Å; F409-L497 HydrophobicContact CG-CD2 3.85Å; F409-L497 HydrophobicContact CG-CG 4.49Å; F409-L497 HydrophobicContact CZ-CB 3.88Å; F492-L497 CarbonylContact C-O 3.54Å; F492-L497 HydrophobicContact CB-CB 4.25Å; F492-L497 HydrophobicContact CB-CD2 4.37Å; F492-L497 HydrophobicContact CD1-CD2 3.85Å; F492-L497 HydrophobicContact CG-CD2 4.39Å; F492-L497 PolarHBondContact O-N 2.74Å; F492-L497 VanDerWaalsContact O-N 3.16Å; E493-L497 WeakPolarHBondContact CA-O 3.47Å; E493-L497 PolarHBondContact N-O 2.96Å; L497-V512 HydrophobicContact CD1-CG2 3.3Å; L497-V512 HydrophobicContact CD2-CG2 4.1Å; L497-V512 HydrophobicContact CG-CG2 3.53Å; L497-L514 HydrophobicContact CB-CD1 4.39Å; L497-L514 HydrophobicContact CD1-CB 4.07Å; L497-L514 HydrophobicContact CD1-CD1 4.06Å; L497-F520 HydrophobicContact CD1-CE1 4.33Å
498K97.5Very high95.3Very high73 Ų7348.1 Ų48.132%0.31724%0.244SC..EExtended strand (participates in β ladder)trans-91.9134.8-171.6-58.6-59-175.8-175.80111.8E493 G496 V500 V512 E513 D515E493-K498 HydrophobicContact CB-CD 4.34Å; E493-K498 PolarHBondContact O-NZ 3.25Å; G496-K498 PolarHBondContact O-N 3.08Å; K498-V500 HydrophobicContact CB-CG1 4.05Å; K498-V500 PolarHBondContact O-N 2.71Å; K498-V512 CarbonylContact O-C 3.58Å; K498-V512 VanDerWaalsContact O-CA 3.27Å; K498-V512 WeakPolarHBondContact O-CA 3.37Å; K498-E513 PolarHBondContact N-O 3.45Å; K498-E513 PolarHBondContact O-N 3.27Å; K498-D515 WeakPolarHBondContact CE-OD2 3.39Å
499F97.4Very high95.5Very high4 Ų446.9 Ų46.92%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-92.493.2170.2-62.2-76.6000109.9M402 V406 V484 K489 F492 E493 M509 V511 V512M402-F499 HydrophobicContact CE-CD1 4.35Å; M402-F499 HydrophobicContact CE-CE1 4.17Å; V406-F499 HydrophobicContact CG2-CE1 4.27Å; V406-F499 HydrophobicContact CG2-CZ 4.45Å; V484-F499 HydrophobicContact CG1-CE1 4.13Å; V484-F499 HydrophobicContact CG1-CZ 3.87Å; V484-F499 HydrophobicContact CG2-CE1 4.32Å; K489-F499 HydrophobicContact CB-CE2 4.44Å; K489-F499 HydrophobicContact CG-CD2 3.6Å; K489-F499 HydrophobicContact CG-CE2 3.95Å; F492-F499 HydrophobicContact CB-CE2 3.79Å; F492-F499 HydrophobicContact CB-CZ 4.26Å; F492-F499 HydrophobicContact CD2-CE2 4.17Å; F492-F499 HydrophobicContact CD2-CZ 4.2Å; F492-F499 HydrophobicContact CG-CE2 4.25Å; F492-F499 HydrophobicContact CG-CZ 4.32Å; E493-F499 HydrophobicContact CG-CD2 3.93Å; F499-M509 HydrophobicContact CB-CB 4.25Å; F499-M509 HydrophobicContact CB-CG 4.17Å; F499-M509 HydrophobicContact CB-SD 3.63Å; F499-M509 HydrophobicContact CD1-CB 3.44Å; F499-M509 VanDerWaalsContact CD1-CB 3.44Å; F499-M509 HydrophobicContact CD1-CG 3.79Å; F499-M509 HydrophobicContact CD1-SD 4.4Å; F499-M509 HydrophobicContact CD2-CG 4.36Å; F499-M509 HydrophobicContact CD2-SD 4.4Å; F499-M509 HydrophobicContact CE1-CB 3.93Å; F499-M509 HydrophobicContact CE1-CG 4.21Å; F499-M509 HydrophobicContact CG-CB 3.96Å; F499-M509 HydrophobicContact CG-CG 3.85Å; F499-M509 HydrophobicContact CG-SD 3.9Å; F499-V511 CarbonylContact C-O 3.56Å; F499-V511 WeakPolarHBondContact CA-O 3.42Å; F499-V512 HydrophobicContact CD1-CB 4.15Å; F499-V512 HydrophobicContact CE1-CB 4.33Å
500V97.3Very high95.6Very high2 Ų244.6 Ų44.61%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-85.6-15.9-171.8-58.50000113.5F457 Q458 T459 K498 V511 E513F457-V500 CarbonylContact C-O 3.59Å; F457-V500 WeakPolarHBondContact CA-O 3.19Å; Q458-V500 PolarHBondContact N-O 3.18Å; T459-V500 HydrophobicContact CG2-CB 3.86Å; T459-V500 HydrophobicContact CG2-CG1 3.63Å; K498-V500 HydrophobicContact CB-CG1 4.05Å; K498-V500 PolarHBondContact O-N 2.71Å; V500-V511 HydrophobicContact CG2-CB 3.84Å; V500-V511 HydrophobicContact CG2-CG1 3.47Å; V500-V511 VanDerWaalsContact CG2-CG1 3.47Å; V500-V511 PolarHBondContact N-O 2.94Å; V500-E513 HydrophobicContact CG1-CB 4.13Å; V500-E513 HydrophobicContact CG1-CG 4.19Å; V500-E513 HydrophobicContact CG2-CG 3.8Å
501G96.9Very high95.8Very high0 Ų041.9 Ų41.90%021%0.209CC..EExtended strand (participates in β ladder)trans-129.8135177.800000111.5L456 E510 V511L456-G501 WeakPolarHBondContact O-CA 2.99Å; G501-E510 PolarHBondContact O-N 3.48Å; G501-V511 PolarHBondContact N-O 3.13Å; G501-V511 PolarHBondContact O-N 3.33Å
502Q96.9Very high95.9Very high13 Ų1340.2 Ų40.26%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-132.1161.7177.1-73.7167.629.200110.9T455 L456 Q458 R508 M509T455-Q502 CarbonylContact C-O 3.51Å; T455-Q502 VanDerWaalsContact CA-O 3.27Å; T455-Q502 WeakPolarHBondContact CA-O 3.43Å; T455-Q502 WeakPolarHBondContact CG2-O 3.45Å; L456-Q502 PolarHBondContact N-O 3.36Å; L456-Q502 PolarHBondContact O-N 3.37Å; Q458-Q502 HydrophobicContact CG-CB 4.23Å; Q458-Q502 HydrophobicContact CG-CG 3.99Å; Q502-R508 CarbonylContact C-O 3.54Å; Q502-R508 WeakPolarHBondContact CA-O 3.46Å; Q502-M509 HydrophobicContact CG-CE 3.86Å; Q502-M509 HydrophobicContact CG-SD 3.51Å; Q502-M509 VanDerWaalsContact CG-SD 3.51Å
503D95.6Very high96Very high4 Ų441.2 Ų41.22%0.02120%0.202CC..  trans-67.5177.8168.268.2-11.3000112.6E505 G506 E507 R508D503-E505 PolarHBondContact O-N 2.79Å; D503-G506 PolarHBondContact O-N 2.84Å; D503-G506 WeakPolarHBondContact OD1-CA 2.93Å; D503-G506 PolarHBondContact OD1-N 3.13Å; D503-E507 PolarHBondContact OD1-N 2.95Å; D503-R508 HydrophobicContact CB-CB 4.23Å; D503-R508 PolarHBondContact N-O 3.4Å; D503-R508 VanDerWaalsContact N-O 3.07Å; D503-R508 PolarHBondContact OD1-N 3.22Å; D503-R508 WeakPolarHBondContact OD2-CB 3.36Å; D503-R508 VanDerWaalsContact OD2-CD 3.31Å; D503-R508 WeakPolarHBondContact OD2-CD 3.28Å; D503-R508 WeakPolarHBondContact OD2-CG 3.29Å
504E93.8Very high96.1Very high124 Ų12439.9 Ų39.958%0.57920%0.196SC*.THydrogen-bonded Turntrans-66.7-27.2-176.7-64.6-174.9112.300113.1R454R454-E504 HydrophobicContact CB-CG 4.14Å; R454-E504 WeakPolarHBondContact CD-OE1 3.36Å; R454-E504 HydrophobicContact CG-CG 4.31Å; R454-E504 IonicContact NH1-OE1 3.13Å
505E92.3Very high96Very high145 Ų14536.2 Ų36.268%0.67818%0.182SC*.THydrogen-bonded Turntrans-86.3-14.9-180-68.6154.6175.400112D503 E507D503-E505 PolarHBondContact O-N 2.79Å; E505-E507 HydrophobicContact CB-CG 4.11Å; E505-E507 PolarHBondContact O-N 3.43Å
506G91.1Very high95.7Very high31 Ų3139.6 Ų39.632%0.3220%0.198SC..SBendtrans7411.5-177.400000113.5D503D503-G506 PolarHBondContact O-N 2.84Å; D503-G506 WeakPolarHBondContact OD1-CA 2.93Å; D503-G506 PolarHBondContact OD1-N 3.13Å
507E91.9Very high95.8Very high108 Ų10840 Ų4051%0.50520%0.197SC..  trans-85-34.5-178.8-64.5-169.516900111P486 D503 E505P486-E507 WeakPolarHBondContact CG-O 2.95Å; D503-E507 PolarHBondContact OD1-N 2.95Å; E505-E507 HydrophobicContact CB-CG 4.11Å; E505-E507 PolarHBondContact O-N 3.43Å
508R95.8Very high95.7Very high15 Ų1543.3 Ų43.36%0.05722%0.218CC..SBendtrans-112.1131.7-171.1-61.3167.2176.3176.8-2.8111.2M436 E438 E483 Q502 D503M436-R508 PolarHBondContact O-NH2 2.88Å; M436-R508 HydrophobicContact SD-CG 3.9Å; E438-R508 VanDerWaalsContact CG-NH1 3.28Å; E438-R508 IonicContact OE1-NH1 3.34Å; E438-R508 PolarHBondContact OE1-NH1 3.33Å; E483-R508 HydrophobicContact CG-CG 3.99Å; E483-R508 VanDerWaalsContact OE1-CD 3.27Å; E483-R508 WeakPolarHBondContact OE1-CD 3.42Å; E483-R508 IonicContact OE1-NE 3.66Å; Q502-R508 CarbonylContact C-O 3.54Å; Q502-R508 WeakPolarHBondContact CA-O 3.46Å; D503-R508 HydrophobicContact CB-CB 4.23Å; D503-R508 PolarHBondContact N-O 3.4Å; D503-R508 VanDerWaalsContact N-O 3.07Å; D503-R508 PolarHBondContact OD1-N 3.22Å; D503-R508 WeakPolarHBondContact OD2-CB 3.36Å; D503-R508 VanDerWaalsContact OD2-CD 3.31Å; D503-R508 WeakPolarHBondContact OD2-CD 3.28Å; D503-R508 WeakPolarHBondContact OD2-CG 3.29Å
509M96.9Very high95.7Very high3 Ų339.9 Ų39.92%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-92.2117.5178.6-53.2-63.3131.400109.3M402 V484 K489 F499 Q502M402-M509 HydrophobicContact CE-CB 4.46Å; M402-M509 WeakPolarHBondContact CE-O 3.39Å; V484-M509 HydrophobicContact CB-CB 4.44Å; K489-M509 HydrophobicContact CD-CE 3.7Å; K489-M509 HydrophobicContact CD-SD 3.78Å; K489-M509 HydrophobicContact CG-CE 4.48Å; K489-M509 HydrophobicContact CG-SD 4.19Å; F499-M509 HydrophobicContact CB-CB 4.25Å; F499-M509 HydrophobicContact CB-CG 4.17Å; F499-M509 HydrophobicContact CB-SD 3.63Å; F499-M509 HydrophobicContact CD1-CB 3.44Å; F499-M509 VanDerWaalsContact CD1-CB 3.44Å; F499-M509 HydrophobicContact CD1-CG 3.79Å; F499-M509 HydrophobicContact CD1-SD 4.4Å; F499-M509 HydrophobicContact CD2-CG 4.36Å; F499-M509 HydrophobicContact CD2-SD 4.4Å; F499-M509 HydrophobicContact CE1-CB 3.93Å; F499-M509 HydrophobicContact CE1-CG 4.21Å; F499-M509 HydrophobicContact CG-CB 3.96Å; F499-M509 HydrophobicContact CG-CG 3.85Å; F499-M509 HydrophobicContact CG-SD 3.9Å; Q502-M509 HydrophobicContact CG-CE 3.86Å; Q502-M509 HydrophobicContact CG-SD 3.51Å; Q502-M509 VanDerWaalsContact CG-SD 3.51Å
510E97.1Very high95.8Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-109.8-25.1-167.8-61.6-75.9-164.900112.7R449 T455 H478 G501 V523 Q524R449-E510 IonicContact CZ-OE1 3.6Å; R449-E510 VanDerWaalsContact CZ-OE1 3.29Å; R449-E510 IonicContact NE-OE1 3.41Å; R449-E510 PolarHBondContact NE-OE1 3Å; R449-E510 IonicContact NH2-OE1 3.85Å; R449-E510 PolarHBondContact NH2-OE1 3.44Å; T455-E510 HydrophobicContact CG2-CB 3.58Å; T455-E510 HydrophobicContact CG2-CG 4.08Å; H478-E510 VanDerWaalsContact CE1-CD 3.49Å; H478-E510 IonicContact CE1-OE1 2.92Å; H478-E510 IonicContact CE1-OE2 3Å; H478-E510 PolarHBondContact CE1-OE2 3.04Å; H478-E510 IonicContact ND1-OE1 3.61Å; H478-E510 IonicContact ND1-OE2 3.63Å; H478-E510 PolarHBondContact ND1-OE2 3.24Å; G501-E510 PolarHBondContact O-N 3.48Å; E510-V523 CarbonylContact O-C 3.36Å; E510-V523 WeakPolarHBondContact O-CA 3.44Å; E510-Q524 PolarHBondContact O-N 3.11Å; E510-Q524 WeakPolarHBondContact OE2-CB 3.43Å
511V98.4Very high95.9Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-136.4129.6179.4-172.60000110.3T455 M464 L474 F499 V500 G501 V521 G522 V523 Y525T455-V511 HydrophobicContact CG2-CG2 4.33Å; M464-V511 HydrophobicContact CB-CG1 4.3Å; M464-V511 HydrophobicContact CG-CG1 3.95Å; L474-V511 HydrophobicContact CD2-CG2 4.5Å; F499-V511 CarbonylContact C-O 3.56Å; F499-V511 WeakPolarHBondContact CA-O 3.42Å; V500-V511 HydrophobicContact CG2-CB 3.84Å; V500-V511 HydrophobicContact CG2-CG1 3.47Å; V500-V511 VanDerWaalsContact CG2-CG1 3.47Å; V500-V511 PolarHBondContact N-O 2.94Å; G501-V511 PolarHBondContact N-O 3.13Å; G501-V511 PolarHBondContact O-N 3.33Å; V511-V521 HydrophobicContact CG1-CG1 4.49Å; V511-G522 WeakPolarHBondContact CA-O 3.16Å; V511-V523 HydrophobicContact CG1-CG1 4.23Å; V511-V523 HydrophobicContact CG2-CG1 4.29Å; V511-Y525 HydrophobicContact CG2-CE1 3.7Å
512V98.1Very high95.9Very high1 Ų139.9 Ų39.91%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-120.8135.8176.636.10000110.6M402 L497 K498 F499 V521 G522M402-V512 HydrophobicContact CE-CB 4.27Å; M402-V512 HydrophobicContact CE-CG1 3.52Å; M402-V512 HydrophobicContact CG-CG1 3.29Å; M402-V512 HydrophobicContact SD-CG1 4.03Å; L497-V512 HydrophobicContact CD1-CG2 3.3Å; L497-V512 HydrophobicContact CD2-CG2 4.1Å; L497-V512 HydrophobicContact CG-CG2 3.53Å; K498-V512 CarbonylContact O-C 3.58Å; K498-V512 VanDerWaalsContact O-CA 3.27Å; K498-V512 WeakPolarHBondContact O-CA 3.37Å; F499-V512 HydrophobicContact CD1-CB 4.15Å; F499-V512 HydrophobicContact CE1-CB 4.33Å; V512-V521 WeakPolarHBondContact O-CA 3.19Å; V512-G522 WeakPolarHBondContact CG1-O 3.29Å; V512-G522 PolarHBondContact N-O 3.19Å; V512-G522 PolarHBondContact O-N 3.34Å
513E98.3Very high96Very high21 Ų2139.2 Ų39.210%0.09820%0.2CC..EExtended strand (participates in β ladder)trans-125.9142.2172.4-66.6-176.4-169.700109.5S462 I463 M464 K498 V500 F520 V521S462-E513 WeakPolarHBondContact CA-OE2 3.48Å; S462-E513 WeakPolarHBondContact CB-OE1 3.44Å; S462-E513 PolarHBondContact OG-OE1 3.44Å; I463-E513 PolarHBondContact N-OE1 3.02Å; I463-E513 VanDerWaalsContact N-OE1 3.16Å; I463-E513 PolarHBondContact N-OE2 2.88Å; I463-E513 VanDerWaalsContact N-OE2 3.09Å; M464-E513 WeakPolarHBondContact CB-OE1 3.16Å; M464-E513 VanDerWaalsContact CG-OE1 3.3Å; M464-E513 WeakPolarHBondContact CG-OE1 3.35Å; M464-E513 PolarHBondContact N-OE1 3.21Å; K498-E513 PolarHBondContact N-O 3.45Å; K498-E513 PolarHBondContact O-N 3.27Å; V500-E513 HydrophobicContact CG1-CB 4.13Å; V500-E513 HydrophobicContact CG1-CG 4.19Å; V500-E513 HydrophobicContact CG2-CG 3.8Å; E513-F520 WeakPolarHBondContact CA-O 3.41Å; E513-V521 HydrophobicContact CG-CG2 4.34Å
514L97.9Very high96.1Very high25 Ų2539 Ų3913%0.13120%0.199CC..EExtended strand (participates in β ladder)trans-101.2127.4175.2179.764.4000111R389 F409 L497 H517 F520R389-L514 HydrophobicContact CG-CD2 3.58Å; F409-L514 HydrophobicContact CD2-CD1 4.26Å; F409-L514 HydrophobicContact CE2-CD1 3.57Å; F409-L514 HydrophobicContact CZ-CD1 4.37Å; L497-L514 HydrophobicContact CB-CD1 4.39Å; L497-L514 HydrophobicContact CD1-CB 4.07Å; L497-L514 HydrophobicContact CD1-CD1 4.06Å; L514-H517 HydrophobicContact CB-CB 4.41Å; L514-H517 HydrophobicContact CD2-CB 4.16Å; L514-H517 HydrophobicContact CG-CB 4.3Å; L514-F520 HydrophobicContact CB-CB 3.91Å; L514-F520 HydrophobicContact CB-CD1 3.62Å; L514-F520 HydrophobicContact CB-CE1 4.44Å; L514-F520 HydrophobicContact CB-CG 3.96Å; L514-F520 HydrophobicContact CD2-CB 4.49Å; L514-F520 HydrophobicContact CD2-CD1 4.24Å; L514-F520 HydrophobicContact CD2-CD2 4.49Å; L514-F520 HydrophobicContact CD2-CG 4.17Å; L514-F520 PolarHBondContact N-O 3.32Å
515D94.4Very high96.3Very high73 Ų7333.1 Ų33.139%0.3917%0.172SC..THydrogen-bonded Turntrans-61.4149.7173.7-69.6-24.4000111.6G496 K498 H517G496-D515 WeakPolarHBondContact CA-OD2 3.46Å; G496-D515 WeakPolarHBondContact O-CB 3.24Å; G496-D515 PolarHBondContact O-N 3.5Å; K498-D515 WeakPolarHBondContact CE-OD2 3.39Å; D515-H517 PolarHBondContact O-N 3.36Å; D515-H517 VanDerWaalsContact O-N 3.1Å
516E89.9Confident96.6Very high180 Ų18027 Ų2784%0.84114%0.143SC*.THydrogen-bonded Turntrans60.515.6177.6-52.2-169.3168.200116.8K392K392-E516 PolarHBondContact NZ-O 3.42Å
517H97.2Very high96.9Very high19 Ų1925.6 Ų25.69%0.08813%0.128CC..SBendtrans-113.3137.9173.6-167.5-76.2000111.7A388 K392 K393 L514 D515 F519 F520A388-H517 PolarHBondContact O-NE2 3.22Å; K392-H517 VanDerWaalsContact CA-NE2 3.33Å; K392-H517 WeakPolarHBondContact CA-NE2 3.37Å; K393-H517 PolarHBondContact O-CE1 3.14Å; K393-H517 PolarHBondContact O-NE2 3.43Å; L514-H517 HydrophobicContact CB-CB 4.41Å; L514-H517 HydrophobicContact CD2-CB 4.16Å; L514-H517 HydrophobicContact CG-CB 4.3Å; D515-H517 PolarHBondContact O-N 3.36Å; D515-H517 VanDerWaalsContact O-N 3.1Å; H517-F519 VanDerWaalsContact C-N 3.35Å; H517-F519 PolarHBondContact CE1-O 3.27Å; H517-F519 PolarHBondContact ND1-N 3.04Å; H517-F519 PolarHBondContact ND1-O 3.43Å; H517-F519 VanDerWaalsContact ND1-O 3.16Å; H517-F519 PolarHBondContact O-N 2.75Å; H517-F520 HydrophobicContact CB-CB 4.04Å; H517-F520 WeakPolarHBondContact ND1-CB 3.43Å; H517-F520 PolarHBondContact ND1-N 3.41Å
518P95.2Very high97.1Very high69 Ų6920.5 Ų20.545%0.44810%0.104SC..SBendtrans-57.7-41.8-175.9-26.333.8000114.7K392K392-P518 HydrophobicContact CB-CG 4.38Å
519F98.3Very high97.1Very high0 Ų019.9 Ų19.90%010%0.102CC..SBendtrans-159.8102.8172.9-173.5-91.4000109P394 F395 L396 I463 L467 H517 V521 L543 A546 L551P394-F519 CarbonylContact C-O 3.52Å; P394-F519 VanDerWaalsContact CA-O 3.31Å; P394-F519 WeakPolarHBondContact CA-O 3.44Å; P394-F519 HydrophobicContact CB-CB 4.28Å; F395-F519 PolarHBondContact N-O 3.19Å; F395-F519 WeakPolarHBondContact O-CD1 3.03Å; F395-F519 WeakPolarHBondContact O-CE1 3.17Å; L396-F519 HydrophobicContact CB-CE1 4.45Å; I463-F519 HydrophobicContact CG2-CD2 4.24Å; I463-F519 HydrophobicContact CG2-CE2 4.2Å; L467-F519 HydrophobicContact CD1-CE2 4.26Å; H517-F519 VanDerWaalsContact C-N 3.35Å; H517-F519 PolarHBondContact CE1-O 3.27Å; H517-F519 PolarHBondContact ND1-N 3.04Å; H517-F519 PolarHBondContact ND1-O 3.43Å; H517-F519 VanDerWaalsContact ND1-O 3.16Å; H517-F519 PolarHBondContact O-N 2.75Å; F519-V521 HydrophobicContact CD1-CG2 4.36Å; F519-V521 HydrophobicContact CD2-CG2 4.15Å; F519-V521 HydrophobicContact CE1-CB 4.12Å; F519-V521 HydrophobicContact CE1-CG2 3.95Å; F519-V521 HydrophobicContact CE2-CG2 3.73Å; F519-V521 HydrophobicContact CG-CG2 4.45Å; F519-V521 HydrophobicContact CZ-CB 4.05Å; F519-V521 HydrophobicContact CZ-CG2 3.63Å; F519-L543 HydrophobicContact CD1-CB 4.49Å; F519-L543 HydrophobicContact CD1-CD1 4.11Å; F519-L543 HydrophobicContact CE1-CB 3.88Å; F519-L543 HydrophobicContact CE1-CD1 4.1Å; F519-L543 HydrophobicContact CZ-CB 4.39Å; F519-A546 HydrophobicContact CB-CB 3.49Å; F519-A546 VanDerWaalsContact CB-CB 3.49Å; F519-A546 HydrophobicContact CD1-CB 4.48Å; F519-A546 HydrophobicContact CD2-CB 4.37Å; F519-A546 HydrophobicContact CG-CB 3.88Å; F519-L551 HydrophobicContact CB-CD2 4.27Å; F519-L551 HydrophobicContact CD2-CD2 3.75Å; F519-L551 HydrophobicContact CG-CD2 4.44Å
520F98.7Very high97Very high5 Ų521.7 Ų21.72%0.02211%0.112CC..EExtended strand (participates in β ladder)trans-134.399.5173-174.2-80.2000107I385 R389 F395 A405 L497 E513 L514 H517I385-F520 HydrophobicContact CG2-CE2 3.98Å; I385-F520 HydrophobicContact CG2-CZ 3.74Å; R389-F520 HydrophobicContact CB-CD2 4.35Å; R389-F520 HydrophobicContact CB-CE2 3.89Å; R389-F520 HydrophobicContact CG-CE2 4.42Å; F395-F520 HydrophobicContact CB-CD2 3.7Å; F395-F520 HydrophobicContact CB-CE2 4.12Å; F395-F520 HydrophobicContact CB-CG 4.37Å; F395-F520 HydrophobicContact CD1-CD1 4.23Å; F395-F520 AromaticContact CD1-CD2 3.65Å; F395-F520 HydrophobicContact CD1-CD2 3.65Å; F395-F520 HydrophobicContact CD1-CE1 4.11Å; F395-F520 AromaticContact CD1-CE2 3.52Å; F395-F520 HydrophobicContact CD1-CE2 3.52Å; F395-F520 HydrophobicContact CD1-CG 4Å; F395-F520 AromaticContact CD1-CZ 3.76Å; F395-F520 HydrophobicContact CD1-CZ 3.76Å; F395-F520 HydrophobicContact CE1-CE1 4.34Å; F395-F520 HydrophobicContact CE1-CE2 4.15Å; F395-F520 AromaticContact CE1-CZ 3.99Å; F395-F520 HydrophobicContact CE1-CZ 3.99Å; F395-F520 AromaticContact CG-CD2 3.93Å; F395-F520 HydrophobicContact CG-CD2 3.93Å; F395-F520 AromaticContact CG-CE2 3.89Å; F395-F520 HydrophobicContact CG-CE2 3.89Å; A405-F520 HydrophobicContact CB-CE1 4.06Å; A405-F520 HydrophobicContact CB-CZ 3.96Å; L497-F520 HydrophobicContact CD1-CE1 4.33Å; E513-F520 WeakPolarHBondContact CA-O 3.41Å; L514-F520 HydrophobicContact CB-CB 3.91Å; L514-F520 HydrophobicContact CB-CD1 3.62Å; L514-F520 HydrophobicContact CB-CE1 4.44Å; L514-F520 HydrophobicContact CB-CG 3.96Å; L514-F520 HydrophobicContact CD2-CB 4.49Å; L514-F520 HydrophobicContact CD2-CD1 4.24Å; L514-F520 HydrophobicContact CD2-CD2 4.49Å; L514-F520 HydrophobicContact CD2-CG 4.17Å; L514-F520 PolarHBondContact N-O 3.32Å; H517-F520 HydrophobicContact CB-CB 4.04Å; H517-F520 WeakPolarHBondContact ND1-CB 3.43Å; H517-F520 PolarHBondContact ND1-N 3.41Å
521V98.7Very high97Very high1 Ų121.7 Ų21.71%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-122.9134.6-174178.80000108.8F395 L396 G397 M464 V511 V512 E513 F519 V523F395-V521 PolarHBondContact O-N 3.3Å; L396-V521 CarbonylContact C-O 3.41Å; L396-V521 VanDerWaalsContact CA-O 3.29Å; L396-V521 WeakPolarHBondContact CA-O 3.19Å; L396-V521 HydrophobicContact CD1-CB 4.23Å; L396-V521 HydrophobicContact CD1-CG1 4.16Å; G397-V521 PolarHBondContact N-O 2.85Å; M464-V521 HydrophobicContact CG-CG1 3.7Å; M464-V521 HydrophobicContact CG-CG2 4.16Å; M464-V521 HydrophobicContact SD-CB 4.38Å; M464-V521 HydrophobicContact SD-CG1 3.69Å; M464-V521 HydrophobicContact SD-CG2 3.98Å; V511-V521 HydrophobicContact CG1-CG1 4.49Å; V512-V521 WeakPolarHBondContact O-CA 3.19Å; E513-V521 HydrophobicContact CG-CG2 4.34Å; F519-V521 HydrophobicContact CD1-CG2 4.36Å; F519-V521 HydrophobicContact CD2-CG2 4.15Å; F519-V521 HydrophobicContact CE1-CB 4.12Å; F519-V521 HydrophobicContact CE1-CG2 3.95Å; F519-V521 HydrophobicContact CE2-CG2 3.73Å; F519-V521 HydrophobicContact CG-CG2 4.45Å; F519-V521 HydrophobicContact CZ-CB 4.05Å; F519-V521 HydrophobicContact CZ-CG2 3.63Å; V521-V523 HydrophobicContact CG1-CG1 4Å
522G98.6Very high96.7Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-120.8137.2164.300000109.9G397 V511 V512G397-G522 CarbonylContact O-C 3.59Å; G397-G522 WeakPolarHBondContact O-CA 3.3Å; V511-G522 WeakPolarHBondContact CA-O 3.16Å; V512-G522 WeakPolarHBondContact CG1-O 3.29Å; V512-G522 PolarHBondContact N-O 3.19Å; V512-G522 PolarHBondContact O-N 3.34Å
523V98.6Very high96.2Very high0 Ų022.7 Ų22.70%012%0.116CC..EExtended strand (participates in β ladder)trans-127.3140.5175.8-60.90000110.2G397 V398 C399 M402 E510 V511 V521 Y525 P527G397-V523 PolarHBondContact O-N 2.8Å; V398-V523 CarbonylContact C-O 3.55Å; V398-V523 HydrophobicContact CG2-CG2 4.35Å; C399-V523 PolarHBondContact N-O 3.38Å; M402-V523 WeakPolarHBondContact CB-O 3.42Å; E510-V523 CarbonylContact O-C 3.36Å; E510-V523 WeakPolarHBondContact O-CA 3.44Å; V511-V523 HydrophobicContact CG1-CG1 4.23Å; V511-V523 HydrophobicContact CG2-CG1 4.29Å; V521-V523 HydrophobicContact CG1-CG1 4Å; V523-Y525 HydrophobicContact CB-CD1 4.23Å; V523-Y525 HydrophobicContact CB-CD2 4.22Å; V523-Y525 HydrophobicContact CB-CE1 3.91Å; V523-Y525 HydrophobicContact CB-CE2 3.87Å; V523-Y525 HydrophobicContact CB-CG 4.37Å; V523-Y525 HydrophobicContact CG1-CE1 4.03Å; V523-Y525 HydrophobicContact CG1-CE2 4.01Å; V523-Y525 WeakPolarHBondContact CG1-OH 3.28Å; V523-Y525 HydrophobicContact CG2-CD2 4.2Å; V523-Y525 HydrophobicContact CG2-CE2 3.99Å; V523-P527 HydrophobicContact CG2-CG 3.96Å
524Q97.7Very high95.5Very high0 Ų024 Ų240%012%0.123CC..SBendtrans-77.2-38.3174.4-88.8-53.8-3.700112.5C399 M402 H480 E510C399-Q524 WeakPolarHBondContact CA-O 3.3Å; C399-Q524 WeakPolarHBondContact CB-O 3.35Å; M402-Q524 HydrophobicContact CE-CG 4.41Å; M402-Q524 HydrophobicContact SD-CB 4.16Å; M402-Q524 HydrophobicContact SD-CG 3.47Å; M402-Q524 WeakPolarHBondContact SD-CG 3.49Å; H480-Q524 PolarHBondContact CD2-O 3.16Å; E510-Q524 PolarHBondContact O-N 3.11Å; E510-Q524 WeakPolarHBondContact OE2-CB 3.43Å
525Y98Very high95Very high0 Ų027.1 Ų27.10%014%0.136CC..SBendtrans-67.7170.4177.453.6-98.8000112.1Y468 L474 E476 R477 V511 V523 P527 P539Y468-Y525 PolarHBondContact OH-OH 2.79Å; L474-Y525 HydrophobicContact CD1-CD1 4.16Å; L474-Y525 HydrophobicContact CD1-CE1 3.71Å; L474-Y525 HydrophobicContact CD2-CE1 4.07Å; E476-Y525 HydrophobicContact CB-CD1 4.03Å; E476-Y525 HydrophobicContact CB-CD2 3.47Å; E476-Y525 VanDerWaalsContact CB-CD2 3.47Å; E476-Y525 HydrophobicContact CB-CE2 4.11Å; E476-Y525 HydrophobicContact CB-CG 3.44Å; E476-Y525 VanDerWaalsContact CB-CG 3.44Å; E476-Y525 HydrophobicContact CG-CD1 4.38Å; E476-Y525 HydrophobicContact CG-CD2 3.52Å; E476-Y525 HydrophobicContact CG-CE1 4.45Å; E476-Y525 HydrophobicContact CG-CE2 3.63Å; E476-Y525 HydrophobicContact CG-CG 3.93Å; R477-Y525 WeakPolarHBondContact O-CB 3.32Å; V511-Y525 HydrophobicContact CG2-CE1 3.7Å; V523-Y525 HydrophobicContact CB-CD1 4.23Å; V523-Y525 HydrophobicContact CB-CD2 4.22Å; V523-Y525 HydrophobicContact CB-CE1 3.91Å; V523-Y525 HydrophobicContact CB-CE2 3.87Å; V523-Y525 HydrophobicContact CB-CG 4.37Å; V523-Y525 HydrophobicContact CG1-CE1 4.03Å; V523-Y525 HydrophobicContact CG1-CE2 4.01Å; V523-Y525 WeakPolarHBondContact CG1-OH 3.28Å; V523-Y525 HydrophobicContact CG2-CD2 4.2Å; V523-Y525 HydrophobicContact CG2-CE2 3.99Å; Y525-P527 HydrophobicContact CD2-CB 4.11Å; Y525-P527 HydrophobicContact CD2-CG 4.24Å; Y525-P527 HydrophobicContact CE2-CB 3.93Å; Y525-P527 HydrophobicContact CE2-CG 4.16Å; Y525-P527 WeakPolarHBondContact O-CD 3.2Å; Y525-P539 HydrophobicContact CE2-CG 4.24Å
526H97.9Very high95Very high17 Ų1724.1 Ų24.18%0.07912%0.12CC..  trans-104.688.1177.3-76.9-94.9000111C399 R477 E528 F529C399-H526 WeakPolarHBondContact CB-NE2 3.11Å; R477-H526 PolarHBondContact O-N 3.36Å; H526-E528 IonicContact CE1-OE1 3.75Å; H526-E528 IonicContact CG-OE1 3.65Å; H526-E528 IonicContact ND1-OE1 2.71Å; H526-E528 PolarHBondContact ND1-OE1 3.49Å; H526-E528 PolarHBondContact O-N 3.28Å; H526-E528 VanDerWaalsContact O-N 3.12Å; H526-F529 HydrophobicContact CB-CD2 3.45Å; H526-F529 VanDerWaalsContact CB-CD2 3.45Å; H526-F529 HydrophobicContact CB-CE2 3.25Å; H526-F529 HydrophobicContact CB-CG 4.37Å; H526-F529 HydrophobicContact CB-CZ 4.03Å; H526-F529 AromaticContact CG-CE2 3.67Å; H526-F529 PolarHBondContact O-N 3.13Å
527P97Very high95.3Very high0 Ų015.7 Ų15.70%08%0.081CC..THydrogen-bonded Turntrans-66.1-13.6-175.821.1-28.3000114.7V398 V523 Y525 F529 S537 P539 Y540V398-P527 HydrophobicContact CG2-CG 4.29Å; V523-P527 HydrophobicContact CG2-CG 3.96Å; Y525-P527 HydrophobicContact CD2-CB 4.11Å; Y525-P527 HydrophobicContact CD2-CG 4.24Å; Y525-P527 HydrophobicContact CE2-CB 3.93Å; Y525-P527 HydrophobicContact CE2-CG 4.16Å; Y525-P527 WeakPolarHBondContact O-CD 3.2Å; P527-F529 VanDerWaalsContact C-N 3.32Å; P527-F529 PolarHBondContact O-N 3.12Å; P527-S537 VanDerWaalsContact CB-OG 3.29Å; P527-S537 WeakPolarHBondContact CB-OG 3.46Å; P527-S537 VanDerWaalsContact O-CB 3.26Å; P527-S537 WeakPolarHBondContact O-CB 3.37Å; P527-S537 PolarHBondContact O-OG 2.98Å; P527-P539 HydrophobicContact CB-CB 4.35Å; P527-P539 HydrophobicContact CB-CG 3.68Å; P527-P539 HydrophobicContact CG-CB 4.22Å; P527-P539 HydrophobicContact CG-CG 3.97Å; P527-Y540 HydrophobicContact CB-CD2 4.22Å; P527-Y540 HydrophobicContact CB-CE2 4.02Å; P527-Y540 HydrophobicContact CG-CD2 4.17Å; P527-Y540 HydrophobicContact CG-CE2 3.66Å
528E96.8Very high95.3Very high2 Ų215.3 Ų15.31%0.0098%0.08CC..THydrogen-bonded Turntrans-70.3-25.2-178.855.3-88.7-15900113.7R76 V317 A320 H526 S531 Y540R76-E528 PolarHBondContact NH2-O 2.92Å; V317-E528 HydrophobicContact CG2-CB 4.45Å; V317-E528 HydrophobicContact CG2-CG 4.13Å; A320-E528 HydrophobicContact CB-CB 4.01Å; H526-E528 IonicContact CE1-OE1 3.75Å; H526-E528 IonicContact CG-OE1 3.65Å; H526-E528 IonicContact ND1-OE1 2.71Å; H526-E528 PolarHBondContact ND1-OE1 3.49Å; H526-E528 PolarHBondContact O-N 3.28Å; H526-E528 VanDerWaalsContact O-N 3.12Å; E528-S531 WeakPolarHBondContact O-CB 3.32Å; E528-Y540 HydrophobicContact CB-CE2 3.85Å; E528-Y540 PolarHBondContact OE2-OH 3.13Å
529F96.1Very high95.5Very high2 Ų212 Ų121%0.0096%0.059CC..SBendtrans-74.6-34.8-176.1-59.2-37.5000112.6F59 V60 R477 H526 P527 R532F59-F529 AromaticContact CD2-CD1 3.45Å; F59-F529 HydrophobicContact CD2-CD1 3.45Å; F59-F529 VanDerWaalsContact CD2-CD1 3.45Å; F59-F529 AromaticContact CD2-CE1 3.94Å; F59-F529 HydrophobicContact CD2-CE1 3.94Å; F59-F529 HydrophobicContact CD2-CG 4.28Å; F59-F529 HydrophobicContact CE2-CB 3.92Å; F59-F529 AromaticContact CE2-CD1 3.52Å; F59-F529 HydrophobicContact CE2-CD1 3.52Å; F59-F529 HydrophobicContact CE2-CE1 4.44Å; F59-F529 HydrophobicContact CE2-CG 4.07Å; F59-F529 HydrophobicContact CG-CD1 4.31Å; F59-F529 HydrophobicContact CZ-CB 4.1Å; F59-F529 HydrophobicContact CZ-CD1 4.42Å; V60-F529 HydrophobicContact CB-CD2 3.87Å; V60-F529 HydrophobicContact CB-CE2 3.64Å; V60-F529 HydrophobicContact CB-CZ 4.36Å; V60-F529 HydrophobicContact CG2-CD2 4.29Å; V60-F529 HydrophobicContact CG2-CE2 3.54Å; V60-F529 HydrophobicContact CG2-CZ 3.98Å; R477-F529 HydrophobicContact CB-CD2 4.07Å; H526-F529 HydrophobicContact CB-CD2 3.45Å; H526-F529 VanDerWaalsContact CB-CD2 3.45Å; H526-F529 HydrophobicContact CB-CE2 3.25Å; H526-F529 HydrophobicContact CB-CG 4.37Å; H526-F529 HydrophobicContact CB-CZ 4.03Å; H526-F529 AromaticContact CG-CE2 3.67Å; H526-F529 PolarHBondContact O-N 3.13Å; P527-F529 VanDerWaalsContact C-N 3.32Å; P527-F529 PolarHBondContact O-N 3.12Å; F529-R532 PolarHBondContact O-NH1 2.95Å
530L94.9Very high95.5Very high41 Ų4112 Ų1222%0.2156%0.059CC..SBendtrans-88.7-1.5178-61-169.2000113.7E475 E476 R477 R532E475-L530 WeakPolarHBondContact O-CD1 3.39Å; E476-L530 WeakPolarHBondContact OE2-CD1 3.38Å; R477-L530 HydrophobicContact CG-CD2 4.42Å; L530-R532 PolarHBondContact O-NH1 3.15Å
531S95.6Very high95.4Very high0 Ų012 Ų120%06%0.059CC..  trans-64.1136.6175.3-165.60000111.3R76 A320 H323 E528 S537R76-S531 WeakPolarHBondContact CG-O 3.48Å; A320-S531 WeakPolarHBondContact CA-OG 3.19Å; H323-S531 PolarHBondContact ND1-OG 2.82Å; E528-S531 WeakPolarHBondContact O-CB 3.32Å; S531-S537 PolarHBondContact OG-N 3.33Å
532R92.8Very high95.4Very high15 Ų1511.9 Ų11.96%0.0576%0.058CC..  trans-126154.7173.1-55.6-65.1-177.5-107.410.9110.2E75 D79 I80 H323 F529 L530 I534 K535E75-R532 WeakPolarHBondContact O-CD 3.45Å; E75-R532 PolarHBondContact O-NE 3.02Å; E75-R532 IonicContact OE2-NH2 3.69Å; E75-R532 PolarHBondContact OE2-NH2 3.46Å; D79-R532 IonicContact OD1-NE 3.53Å; D79-R532 PolarHBondContact OD1-NE 3.44Å; I80-R532 PolarHBondContact O-NH2 3.37Å; H323-R532 PolarHBondContact ND1-O 3.05Å; F529-R532 PolarHBondContact O-NH1 2.95Å; L530-R532 PolarHBondContact O-NH1 3.15Å; R532-I534 PolarHBondContact O-N 3Å; R532-K535 HydrophobicContact CB-CB 4.2Å; R532-K535 PolarHBondContact N-O 3.26Å; R532-K535 CarbonylContact O-C 3.51Å; R532-K535 PolarHBondContact O-N 3.44Å
533P87.6Confident95.4Very high7 Ų711.9 Ų11.95%0.0456%0.058CC..SBendtrans-58.7-35.4-179.6-23.532.6000113.9R76 Y251 M288R76-P533 VanDerWaalsContact O-CD 3.26Å; R76-P533 WeakPolarHBondContact O-CD 3.34Å; Y251-P533 HydrophobicContact CE1-CB 3.78Å; Y251-P533 HydrophobicContact CE1-CG 3.69Å; M288-P533 HydrophobicContact CE-CB 3.86Å; M288-P533 HydrophobicContact SD-CB 3.32Å; M288-P533 WeakPolarHBondContact SD-CB 3.47Å
534I83.8Confident95.3Very high47 Ų4711.9 Ų11.924%0.2416%0.058CC..SBendtrans-90.2-26.8-179.7-59.4170.6000111.8K284 R532 Y567K284-I534 HydrophobicContact CB-CD1 4.05Å; K284-I534 HydrophobicContact CD-CD1 4.05Å; R532-I534 PolarHBondContact O-N 3Å; I534-Y567 HydrophobicContact CG2-CE2 4.23Å
535K88Confident95.3Very high92 Ų9212.1 Ų12.140%0.46%0.059SC..SBendtrans-122.984.7-178.7-175.3-171.8174.7-167.10108.3R532 F585R532-K535 HydrophobicContact CB-CB 4.2Å; R532-K535 PolarHBondContact N-O 3.26Å; R532-K535 CarbonylContact O-C 3.51Å; R532-K535 PolarHBondContact O-N 3.44Å; K535-F585 HydrophobicContact CG-CD1 4.21Å; K535-F585 HydrophobicContact CG-CE1 4.3Å
536P94.2Very high95.3Very high9 Ų912.9 Ų12.96%0.0587%0.066CC..  trans-63.9153.1-179.528.4-35.2000110.5H323 A327 F541H323-P536 HydrophobicContact CB-CB 4.09Å; A327-P536 HydrophobicContact CB-CG 4.04Å; P536-F541 HydrophobicContact CB-CB 4.42Å; P536-F541 HydrophobicContact CG-CB 4.42Å; P536-F541 HydrophobicContact CG-CD2 4.05Å; P536-F541 HydrophobicContact CG-CG 4.28Å
537S96.5Very high95.2Very high3 Ų312.9 Ų12.92%0.0217%0.067CC..  trans-67.1128.4178.3178.30000111.3P527 S531 P539 Y540 F541P527-S537 VanDerWaalsContact CB-OG 3.29Å; P527-S537 WeakPolarHBondContact CB-OG 3.46Å; P527-S537 VanDerWaalsContact O-CB 3.26Å; P527-S537 WeakPolarHBondContact O-CB 3.37Å; P527-S537 PolarHBondContact O-OG 2.98Å; S531-S537 PolarHBondContact OG-N 3.33Å; S537-P539 WeakPolarHBondContact OG-CD 3.5Å; S537-Y540 PolarHBondContact O-N 2.9Å; S537-F541 WeakPolarHBondContact O-CB 3.37Å; S537-F541 PolarHBondContact O-N 3.34Å
538P96.7Very high95.2Very high11 Ų1114.3 Ų14.37%0.0718%0.079CC..Hα-helixtrans-56.8-43.6-172.6-26.836000115.6L467 Y468 Y540 F541 G542 F585L467-P538 HydrophobicContact CB-CB 4.06Å; Y468-P538 HydrophobicContact CD1-CB 4.28Å; Y468-P538 HydrophobicContact CD1-CG 3.8Å; Y468-P538 HydrophobicContact CD2-CB 4.06Å; Y468-P538 HydrophobicContact CD2-CG 4.46Å; Y468-P538 HydrophobicContact CE1-CB 4.16Å; Y468-P538 HydrophobicContact CE1-CG 3.63Å; Y468-P538 HydrophobicContact CE2-CB 3.92Å; Y468-P538 HydrophobicContact CE2-CG 4.31Å; Y468-P538 HydrophobicContact CG-CB 4.23Å; Y468-P538 HydrophobicContact CG-CG 4.21Å; P538-Y540 PolarHBondContact O-N 2.96Å; P538-F541 PolarHBondContact O-N 3.19Å; P538-G542 PolarHBondContact O-N 2.83Å; P538-F585 HydrophobicContact CG-CE1 4.14Å
539P98.1Very high95.1Very high0 Ų017.4 Ų17.40%011%0.112CC..Hα-helixtrans-61.7-43.6177-20.429.6000113.3L396 M464 Y468 Y525 P527 S537 G542 L543L396-P539 HydrophobicContact CD1-CB 3.95Å; L396-P539 HydrophobicContact CD2-CB 4.03Å; M464-P539 HydrophobicContact CE-CB 3.86Å; M464-P539 HydrophobicContact CE-CG 3.49Å; M464-P539 VanDerWaalsContact CE-CG 3.49Å; Y468-P539 HydrophobicContact CE2-CG 4.32Å; Y468-P539 WeakPolarHBondContact OH-CD 3.27Å; Y525-P539 HydrophobicContact CE2-CG 4.24Å; P527-P539 HydrophobicContact CB-CB 4.35Å; P527-P539 HydrophobicContact CB-CG 3.68Å; P527-P539 HydrophobicContact CG-CB 4.22Å; P527-P539 HydrophobicContact CG-CG 3.97Å; S537-P539 WeakPolarHBondContact OG-CD 3.5Å; P539-G542 PolarHBondContact O-N 3.48Å; P539-L543 PolarHBondContact O-N 3.26Å
540Y98.4Very high94.9Very high0 Ų020.8 Ų20.80%013%0.125CC..Hα-helixtrans-67.9-38.2177.9-73.1-78.7000111.8V317 A320 L321 S324 L368 L396 P527 E528 S537 P538 L543 L544V317-Y540 HydrophobicContact CG1-CE1 3.99Å; A320-Y540 HydrophobicContact CB-CD1 4.35Å; A320-Y540 HydrophobicContact CB-CD2 3.66Å; A320-Y540 HydrophobicContact CB-CE1 4.49Å; A320-Y540 HydrophobicContact CB-CE2 3.81Å; A320-Y540 HydrophobicContact CB-CG 3.93Å; L321-Y540 HydrophobicContact CD2-CD1 3.61Å; L321-Y540 HydrophobicContact CD2-CE1 4.21Å; L321-Y540 HydrophobicContact CG-CD1 3.86Å; L321-Y540 HydrophobicContact CG-CE1 4.16Å; S324-Y540 WeakPolarHBondContact OG-CB 3.45Å; L368-Y540 HydrophobicContact CD1-CE1 4.11Å; L368-Y540 HydrophobicContact CD2-CE1 3.88Å; L396-Y540 HydrophobicContact CD2-CD1 3.97Å; L396-Y540 HydrophobicContact CD2-CE1 4.08Å; L396-Y540 HydrophobicContact CD2-CG 4.24Å; P527-Y540 HydrophobicContact CB-CD2 4.22Å; P527-Y540 HydrophobicContact CB-CE2 4.02Å; P527-Y540 HydrophobicContact CG-CD2 4.17Å; P527-Y540 HydrophobicContact CG-CE2 3.66Å; E528-Y540 HydrophobicContact CB-CE2 3.85Å; E528-Y540 PolarHBondContact OE2-OH 3.13Å; S537-Y540 PolarHBondContact O-N 2.9Å; P538-Y540 PolarHBondContact O-N 2.96Å; Y540-L543 PolarHBondContact O-N 3.42Å; Y540-L544 WeakPolarHBondContact O-CD2 3.35Å; Y540-L544 PolarHBondContact O-N 2.95Å
541F97.8Very high94.9Very high4 Ų419.1 Ų19.12%0.01812%0.116CC..Hα-helixtrans-65.5-42176.1-176.2-115.5000111.9S324 A327 I328 P536 S537 P538 L544 L545 Y554 L561S324-F541 PolarHBondContact OG-N 3.2Å; A327-F541 HydrophobicContact CB-CD2 4.23Å; A327-F541 HydrophobicContact CB-CE2 3.82Å; I328-F541 HydrophobicContact CG2-CD2 4.32Å; I328-F541 HydrophobicContact CG2-CE2 3.62Å; I328-F541 HydrophobicContact CG2-CZ 4.37Å; P536-F541 HydrophobicContact CB-CB 4.42Å; P536-F541 HydrophobicContact CG-CB 4.42Å; P536-F541 HydrophobicContact CG-CD2 4.05Å; P536-F541 HydrophobicContact CG-CG 4.28Å; S537-F541 WeakPolarHBondContact O-CB 3.37Å; S537-F541 PolarHBondContact O-N 3.34Å; P538-F541 PolarHBondContact O-N 3.19Å; F541-L544 PolarHBondContact O-N 3.34Å; F541-L545 HydrophobicContact CD1-CD1 3.77Å; F541-L545 HydrophobicContact CD1-CG 4.49Å; F541-L545 HydrophobicContact CE1-CD1 3.39Å; F541-L545 HydrophobicContact CE1-CG 4.19Å; F541-L545 HydrophobicContact CE2-CD1 4.34Å; F541-L545 HydrophobicContact CE2-CG 4.28Å; F541-L545 HydrophobicContact CG-CD1 4.4Å; F541-L545 HydrophobicContact CZ-CD1 3.71Å; F541-L545 HydrophobicContact CZ-CD2 4.34Å; F541-L545 HydrophobicContact CZ-CG 4.07Å; F541-L545 WeakPolarHBondContact O-CB 3.44Å; F541-L545 WeakPolarHBondContact O-CG 3.29Å; F541-L545 PolarHBondContact O-N 3.14Å; F541-Y554 AromaticContact CE1-CE1 3.89Å; F541-Y554 HydrophobicContact CE1-CE1 3.89Å; F541-Y554 AromaticContact CE1-CE2 3.89Å; F541-Y554 HydrophobicContact CE1-CE2 3.89Å; F541-Y554 AromaticContact CE1-CZ 3.54Å; F541-Y554 HydrophobicContact CZ-CE2 4.12Å; F541-L561 HydrophobicContact CE2-CD2 4.38Å; F541-L561 HydrophobicContact CZ-CD1 4.32Å; F541-L561 HydrophobicContact CZ-CD2 3.79Å; F541-L561 HydrophobicContact CZ-CG 4.18Å
542G97.6Very high94.6Very high0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-58.5-45.4171.800000112.8P538 P539 L544 L545 A546P538-G542 PolarHBondContact O-N 2.83Å; P539-G542 PolarHBondContact O-N 3.48Å; G542-L544 PolarHBondContact O-N 3.47Å; G542-L545 PolarHBondContact O-N 3.15Å; G542-A546 WeakPolarHBondContact O-CB 3.43Å; G542-A546 PolarHBondContact O-N 2.99Å
543L98.6Very high94.5Very high0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-59-47.5176.6178.868000111.8I301 L321 L368 P394 L396 F519 P539 Y540 A546 S547I301-L543 HydrophobicContact CD1-CG 4.43Å; I301-L543 HydrophobicContact CG2-CD2 4.37Å; L321-L543 HydrophobicContact CD2-CD2 4.23Å; L368-L543 HydrophobicContact CB-CD2 4.36Å; P394-L543 HydrophobicContact CB-CD1 4Å; L396-L543 HydrophobicContact CB-CB 4.45Å; L396-L543 HydrophobicContact CB-CD1 4.19Å; L396-L543 HydrophobicContact CB-CD2 3.93Å; L396-L543 HydrophobicContact CB-CG 4.41Å; L396-L543 HydrophobicContact CD2-CD2 4.39Å; F519-L543 HydrophobicContact CD1-CB 4.49Å; F519-L543 HydrophobicContact CD1-CD1 4.11Å; F519-L543 HydrophobicContact CE1-CB 3.88Å; F519-L543 HydrophobicContact CE1-CD1 4.1Å; F519-L543 HydrophobicContact CZ-CB 4.39Å; P539-L543 PolarHBondContact O-N 3.26Å; Y540-L543 PolarHBondContact O-N 3.42Å; L543-A546 PolarHBondContact O-N 3.1Å; L543-S547 WeakPolarHBondContact O-CB 3.19Å; L543-S547 PolarHBondContact O-N 3.07Å; L543-S547 PolarHBondContact O-OG 3.42Å
544L97.7Very high94.6Very high0 Ų029.3 Ų29.30%017%0.165CC..Hα-helixtrans-68.1-40.7-179.4-93.8-64.8000111.9C299 I301 L321 A325 I328 L332 Y540 F541 G542 A546 S547 A548C299-L544 HydrophobicContact CB-CD1 3.97Å; C299-L544 VanDerWaalsContact SG-CD1 3.55Å; I301-L544 HydrophobicContact CD1-CD1 4.37Å; I301-L544 HydrophobicContact CD1-CD2 4.31Å; I301-L544 HydrophobicContact CG1-CD1 4.29Å; I301-L544 HydrophobicContact CG1-CD2 4.23Å; L321-L544 HydrophobicContact CD2-CD2 3.47Å; L321-L544 VanDerWaalsContact CD2-CD2 3.47Å; A325-L544 HydrophobicContact CB-CD1 4.4Å; I328-L544 HydrophobicContact CD1-CB 4Å; I328-L544 HydrophobicContact CD1-CD1 4.29Å; L332-L544 HydrophobicContact CD1-CD1 4.23Å; Y540-L544 WeakPolarHBondContact O-CD2 3.35Å; Y540-L544 PolarHBondContact O-N 2.95Å; F541-L544 PolarHBondContact O-N 3.34Å; G542-L544 PolarHBondContact O-N 3.47Å; L544-A546 VanDerWaalsContact C-N 3.33Å; L544-A546 PolarHBondContact O-N 2.8Å; L544-S547 PolarHBondContact O-N 3.01Å; L544-A548 WeakPolarHBondContact O-CB 3.32Å; L544-A548 PolarHBondContact O-N 2.94Å
545L96.9Very high94.9Very high4 Ų429 Ų292%0.02116%0.163CC..Hα-helixtrans-60.7-42.2173.3-80.5174.6000112I328 F541 G542 G549 R550 L551 Y554I328-L545 HydrophobicContact CG2-CD2 3.74Å; I328-L545 HydrophobicContact CG2-CG 4.2Å; F541-L545 HydrophobicContact CD1-CD1 3.77Å; F541-L545 HydrophobicContact CD1-CG 4.49Å; F541-L545 HydrophobicContact CE1-CD1 3.39Å; F541-L545 HydrophobicContact CE1-CG 4.19Å; F541-L545 HydrophobicContact CE2-CD1 4.34Å; F541-L545 HydrophobicContact CE2-CG 4.28Å; F541-L545 HydrophobicContact CG-CD1 4.4Å; F541-L545 HydrophobicContact CZ-CD1 3.71Å; F541-L545 HydrophobicContact CZ-CD2 4.34Å; F541-L545 HydrophobicContact CZ-CG 4.07Å; F541-L545 WeakPolarHBondContact O-CB 3.44Å; F541-L545 WeakPolarHBondContact O-CG 3.29Å; F541-L545 PolarHBondContact O-N 3.14Å; G542-L545 PolarHBondContact O-N 3.15Å; L545-G549 PolarHBondContact O-N 2.93Å; L545-R550 HydrophobicContact CD2-CB 3.88Å; L545-R550 PolarHBondContact O-N 3Å; L545-L551 HydrophobicContact CB-CB 4.03Å; L545-L551 HydrophobicContact CB-CD1 4.13Å; L545-L551 HydrophobicContact CD1-CD1 4.2Å; L545-L551 PolarHBondContact O-N 3.36Å; L545-L551 VanDerWaalsContact O-N 3.13Å; L545-Y554 HydrophobicContact CD1-CD1 3.62Å; L545-Y554 HydrophobicContact CD1-CD2 4.25Å; L545-Y554 HydrophobicContact CD1-CE1 4.13Å; L545-Y554 HydrophobicContact CD1-CG 3.68Å
546A97.5Very high94.8Very high16 Ų1632 Ų3213%0.13218%0.179CC..Hα-helixtrans-67.1-43.317800000111.4P394 F519 G542 L543 L544 A548 G549 L551P394-A546 HydrophobicContact CB-CB 3.79Å; P394-A546 HydrophobicContact CG-CB 3.76Å; F519-A546 HydrophobicContact CB-CB 3.49Å; F519-A546 VanDerWaalsContact CB-CB 3.49Å; F519-A546 HydrophobicContact CD1-CB 4.48Å; F519-A546 HydrophobicContact CD2-CB 4.37Å; F519-A546 HydrophobicContact CG-CB 3.88Å; G542-A546 WeakPolarHBondContact O-CB 3.43Å; G542-A546 PolarHBondContact O-N 2.99Å; L543-A546 PolarHBondContact O-N 3.1Å; L544-A546 VanDerWaalsContact C-N 3.33Å; L544-A546 PolarHBondContact O-N 2.8Å; A546-A548 VanDerWaalsContact C-N 3.3Å; A546-A548 PolarHBondContact O-N 3.36Å; A546-G549 PolarHBondContact O-N 3.26Å; A546-L551 HydrophobicContact CB-CB 4.28Å; A546-L551 HydrophobicContact CB-CD2 4Å
547S97.4Very high94.3Very high17 Ų1736 Ų3612%0.11920%0.195CC..Hα-helixtrans-63.3-35.9178.1-560000111.9C299 I301 L543 L544 G549C299-S547 VanDerWaalsContact SG-CB 3.52Å; I301-S547 WeakPolarHBondContact CD1-OG 3.37Å; L543-S547 WeakPolarHBondContact O-CB 3.19Å; L543-S547 PolarHBondContact O-N 3.07Å; L543-S547 PolarHBondContact O-OG 3.42Å; L544-S547 PolarHBondContact O-N 3.01Å; S547-G549 VanDerWaalsContact C-N 3.3Å; S547-G549 PolarHBondContact O-N 3.37Å
548A95.4Very high93.5Very high30 Ų3038.6 Ų38.625%0.24822%0.222CC..THydrogen-bonded Turntrans-82.80.5174.100000114.1I328 L544 A546 R550I328-A548 HydrophobicContact CD1-CB 4.06Å; L544-A548 WeakPolarHBondContact O-CB 3.32Å; L544-A548 PolarHBondContact O-N 2.94Å; A546-A548 VanDerWaalsContact C-N 3.3Å; A546-A548 PolarHBondContact O-N 3.36Å; A548-R550 VanDerWaalsContact C-N 3.25Å; A548-R550 HydrophobicContact CB-CG 4.24Å; A548-R550 PolarHBondContact O-N 3.42Å
549G94.4Very high92.7Very high68 Ų6838.9 Ų38.970%0.70122%0.224SC*.THydrogen-bonded Turntrans68.119.1-177.500000114.8L545 A546 S547L545-G549 PolarHBondContact O-N 2.93Å; A546-G549 PolarHBondContact O-N 3.26Å; S547-G549 VanDerWaalsContact C-N 3.3Å; S547-G549 PolarHBondContact O-N 3.37Å
550R93.9Very high91.3Very high72 Ų7245.1 Ų45.127%0.27225%0.248SC..  trans-104.1-7.4-175.2-63-176.2-177.1-165.93.1114.2E297 H330 L545 A548 M552 H553 Y554 D565E297-R550 IonicContact OE1-NH2 3.54Å; E297-R550 IonicContact OE2-CZ 3.97Å; E297-R550 IonicContact OE2-NH2 3.03Å; E297-R550 PolarHBondContact OE2-NH2 3.28Å; H330-R550 PolarHBondContact CE1-NH2 2.83Å; L545-R550 HydrophobicContact CD2-CB 3.88Å; L545-R550 PolarHBondContact O-N 3Å; A548-R550 VanDerWaalsContact C-N 3.25Å; A548-R550 HydrophobicContact CB-CG 4.24Å; A548-R550 PolarHBondContact O-N 3.42Å; R550-M552 PolarHBondContact O-N 2.88Å; R550-H553 PolarHBondContact O-N 2.93Å; R550-Y554 PolarHBondContact O-N 3.39Å; R550-D565 IonicContact NH1-OD1 3.89Å; R550-D565 IonicContact NH1-OD2 3.19Å
551L93.9Very high89.4Confident7 Ų746 Ų464%0.03725%0.252CS..Hα-helixtrans-57.6-52.8-174.8-179.262.5000113.3I463 L467 F519 L545 A546 H553 Y554 L555I463-L551 HydrophobicContact CG2-CD2 4.37Å; L467-L551 HydrophobicContact CD2-CD1 4.4Å; F519-L551 HydrophobicContact CB-CD2 4.27Å; F519-L551 HydrophobicContact CD2-CD2 3.75Å; F519-L551 HydrophobicContact CG-CD2 4.44Å; L545-L551 HydrophobicContact CB-CB 4.03Å; L545-L551 HydrophobicContact CB-CD1 4.13Å; L545-L551 HydrophobicContact CD1-CD1 4.2Å; L545-L551 PolarHBondContact O-N 3.36Å; L545-L551 VanDerWaalsContact O-N 3.13Å; A546-L551 HydrophobicContact CB-CB 4.28Å; A546-L551 HydrophobicContact CB-CD2 4Å; L551-H553 VanDerWaalsContact C-N 3.28Å; L551-H553 PolarHBondContact O-N 2.94Å; L551-Y554 WeakPolarHBondContact O-CB 3.32Å; L551-Y554 PolarHBondContact O-N 3.27Å; L551-Y554 VanDerWaalsContact O-N 3.07Å; L551-L555 HydrophobicContact CD1-CD1 4.11Å; L551-L555 HydrophobicContact CD1-CD2 4.43Å; L551-L555 HydrophobicContact CD1-CG 4.1Å; L551-L555 HydrophobicContact CG-CD1 4Å; L551-L555 HydrophobicContact CG-CG 4.38Å; L551-L555 WeakPolarHBondContact O-CG 3.33Å; L551-L555 PolarHBondContact O-N 2.76Å
552M89.7Confident87.1Confident126 Ų12647.4 Ų47.462%0.62126%0.263SS*.Hα-helixtrans-60.9-39.1-176.9-66.7-59.9-78.100112.4R550 L555 Q556R550-M552 PolarHBondContact O-N 2.88Å; M552-L555 PolarHBondContact O-N 2.87Å; M552-Q556 WeakPolarHBondContact O-CB 3.37Å; M552-Q556 VanDerWaalsContact O-CG 3.23Å; M552-Q556 WeakPolarHBondContact O-CG 3.3Å; M552-Q556 PolarHBondContact O-N 2.78Å
553H89.9Confident84.7Confident101 Ų10152.2 Ų52.247%0.46829%0.294SS..Hα-helixtrans-66.1-38.4176-178.376.1000112.3R550 L551 K557R550-H553 PolarHBondContact O-N 2.93Å; L551-H553 VanDerWaalsContact C-N 3.28Å; L551-H553 PolarHBondContact O-N 2.94Å; H553-K557 WeakPolarHBondContact CE1-CE 3.47Å; H553-K557 WeakPolarHBondContact NE2-CE 3.3Å; H553-K557 PolarHBondContact NE2-NZ 3.4Å; H553-K557 WeakPolarHBondContact O-CG 3.42Å; H553-K557 PolarHBondContact O-N 3.12Å
554Y90.6Very high82.2Confident9 Ų963 Ų634%0.03534%0.335CS..Hα-helixtrans-64.4-45.9175.7178.3-99.6000111.9L467 F541 L545 R550 L551 K557 C559 L561L467-Y554 HydrophobicContact CD2-CD1 4.35Å; L467-Y554 HydrophobicContact CD2-CE1 3.99Å; F541-Y554 AromaticContact CE1-CE1 3.89Å; F541-Y554 HydrophobicContact CE1-CE1 3.89Å; F541-Y554 AromaticContact CE1-CE2 3.89Å; F541-Y554 HydrophobicContact CE1-CE2 3.89Å; F541-Y554 AromaticContact CE1-CZ 3.54Å; F541-Y554 HydrophobicContact CZ-CE2 4.12Å; L545-Y554 HydrophobicContact CD1-CD1 3.62Å; L545-Y554 HydrophobicContact CD1-CD2 4.25Å; L545-Y554 HydrophobicContact CD1-CE1 4.13Å; L545-Y554 HydrophobicContact CD1-CG 3.68Å; R550-Y554 PolarHBondContact O-N 3.39Å; L551-Y554 WeakPolarHBondContact O-CB 3.32Å; L551-Y554 PolarHBondContact O-N 3.27Å; L551-Y554 VanDerWaalsContact O-N 3.07Å; Y554-K557 PolarHBondContact O-N 2.72Å; Y554-C559 HydrophobicContact CE1-CB 3.69Å; Y554-C559 PolarHBondContact O-N 2.84Å; Y554-C559 VanDerWaalsContact O-N 3.13Å; Y554-C559 PolarHBondContact OH-O 3.35Å; Y554-L561 HydrophobicContact CD2-CD2 4.21Å; Y554-L561 HydrophobicContact CE2-CD2 4.18Å; Y554-L561 HydrophobicContact CE2-CG 4.14Å
555L88.8Confident79.7Confident40 Ų4064.2 Ų64.221%0.20934%0.341CS..Hα-helixtrans-63.1-44177.8-63.6175.2000111.4T466 L551 M552 K557 G558T466-L555 HydrophobicContact CG2-CD2 3.61Å; L551-L555 HydrophobicContact CD1-CD1 4.11Å; L551-L555 HydrophobicContact CD1-CD2 4.43Å; L551-L555 HydrophobicContact CD1-CG 4.1Å; L551-L555 HydrophobicContact CG-CD1 4Å; L551-L555 HydrophobicContact CG-CG 4.38Å; L551-L555 WeakPolarHBondContact O-CG 3.33Å; L551-L555 PolarHBondContact O-N 2.76Å; M552-L555 PolarHBondContact O-N 2.87Å; L555-K557 PolarHBondContact O-N 3.19Å; L555-G558 PolarHBondContact O-N 3.23Å; L555-G558 VanDerWaalsContact O-N 3.09Å
556Q86.8Confident77.2Confident154 Ų15466.1 Ų66.172%0.7235%0.353SS*.Hα-helixtrans-63.2-27.3178-74.8172.92.900113.7M552 G558M552-Q556 WeakPolarHBondContact O-CB 3.37Å; M552-Q556 VanDerWaalsContact O-CG 3.23Å; M552-Q556 WeakPolarHBondContact O-CG 3.3Å; M552-Q556 PolarHBondContact O-N 2.78Å; Q556-G558 VanDerWaalsContact C-N 3.26Å; Q556-G558 PolarHBondContact O-N 3.02Å
557K83.4Confident74.7Confident95 Ų9568.4 Ų68.441%0.41336%0.359SS..THydrogen-bonded Turntrans-85.47.7177-76.1-173.2169.6-172.70114H553 Y554 L555H553-K557 WeakPolarHBondContact CE1-CE 3.47Å; H553-K557 WeakPolarHBondContact NE2-CE 3.3Å; H553-K557 PolarHBondContact NE2-NZ 3.4Å; H553-K557 WeakPolarHBondContact O-CG 3.42Å; H553-K557 PolarHBondContact O-N 3.12Å; Y554-K557 PolarHBondContact O-N 2.72Å; L555-K557 PolarHBondContact O-N 3.19Å
558G79.3Confident71.7Confident56 Ų5670.6 Ų70.658%0.57737%0.374SS*.THydrogen-bonded Turntrans69.844.3-178.700000112.3L555 Q556 R560L555-G558 PolarHBondContact O-N 3.23Å; L555-G558 VanDerWaalsContact O-N 3.09Å; Q556-G558 VanDerWaalsContact C-N 3.26Å; Q556-G558 PolarHBondContact O-N 3.02Å; G558-R560 VanDerWaalsContact C-N 3.33Å; G558-R560 PolarHBondContact O-N 2.97Å
559C81.5Confident68.8Low18 Ų1874.6 Ų74.612%0.12239%0.391CS..SBendtrans59.937.9177.1-63.60000114.3T466 Y554T466-C559 VanDerWaalsContact CG2-SG 3.54Å; T466-C559 PolarHBondContact O-SG 3.29Å; Y554-C559 HydrophobicContact CE1-CB 3.69Å; Y554-C559 PolarHBondContact O-N 2.84Å; Y554-C559 VanDerWaalsContact O-N 3.13Å; Y554-C559 PolarHBondContact OH-O 3.35Å
560R67.1Low65.9Low130 Ų13082.7 Ų82.749%0.49140%0.401SS..  trans-111.2124.5174.9-67179178.2177.5-0.5110.3G558 E582G558-R560 VanDerWaalsContact C-N 3.33Å; G558-R560 PolarHBondContact O-N 2.97Å; R560-E582 IonicContact CZ-OE1 3.47Å; R560-E582 IonicContact NE-OE1 3.63Å; R560-E582 IonicContact NH2-OE1 3.21Å; R560-E582 PolarHBondContact NH2-OE1 3.26Å
561L60.2Low63.1Low18 Ų1883.8 Ų83.89%0.09442%0.419CS..  trans-61.4147.3168-78.3177.6000110A327 F541 Y554 D565 T566 L583A327-L561 HydrophobicContact CB-CD1 4.43Å; A327-L561 WeakPolarHBondContact O-CD1 3.42Å; F541-L561 HydrophobicContact CE2-CD2 4.38Å; F541-L561 HydrophobicContact CZ-CD1 4.32Å; F541-L561 HydrophobicContact CZ-CD2 3.79Å; F541-L561 HydrophobicContact CZ-CG 4.18Å; Y554-L561 HydrophobicContact CD2-CD2 4.21Å; Y554-L561 HydrophobicContact CE2-CD2 4.18Å; Y554-L561 HydrophobicContact CE2-CG 4.14Å; L561-D565 HydrophobicContact CB-CB 4.04Å; L561-D565 HydrophobicContact CD2-CB 4.16Å; L561-D565 HydrophobicContact CG-CB 4.5Å; L561-T566 HydrophobicContact CB-CG2 3.9Å; L561-L583 HydrophobicContact CD1-CD1 3.68Å; L561-L583 HydrophobicContact CG-CD1 4.45Å
562S49.5Very low60.3Low35 Ų3587.6 Ų87.625%0.24546%0.46CS..  trans-58.1151.1176.4-171.40000110.3R564 D565 T566S562-R564 PolarHBondContact O-N 3.39Å; S562-D565 VanDerWaalsContact CB-OD2 3.27Å; S562-D565 WeakPolarHBondContact CB-OD2 3.48Å; S562-D565 CarbonylContact O-C 3.57Å; S562-D565 WeakPolarHBondContact O-CA 3.21Å; S562-D565 PolarHBondContact O-N 3.46Å; S562-T566 PolarHBondContact O-N 3.11Å; S562-T566 PolarHBondContact O-OG1 3.04Å
563P45.4Very low57.3Low101 Ų10186.5 Ų86.566%0.65647%0.465SS*.THydrogen-bonded Turntrans-55.1-21.1173.9-28.135.7000114.9T566P563-T566 VanDerWaalsContact CA-OG1 3.25Å; P563-T566 WeakPolarHBondContact CA-OG1 3.5Å; P563-T566 PolarHBondContact O-OG1 3.22Å
564R46.6Very low54.7Low226 Ų22687.7 Ų87.785%0.85349%0.485SS*.THydrogen-bonded Turntrans-77.5-22.4171.4-77.7-176.2166.9-179-4113.8N329 S562N329-R564 PolarHBondContact ND2-O 2.95Å; S562-R564 PolarHBondContact O-N 3.39Å
565D45.4Very low51.7Low25 Ų2591.2 Ų91.213%0.13451%0.511CS..THydrogen-bonded Turntrans-101.6-21.6-178.5-58-43.2000112.5R291 N329 R550 L561 S562R291-D565 PolarHBondContact NH1-O 3.24Å; N329-D565 WeakPolarHBondContact ND2-CA 3.32Å; N329-D565 PolarHBondContact ND2-OD1 3.4Å; R550-D565 IonicContact NH1-OD1 3.89Å; R550-D565 IonicContact NH1-OD2 3.19Å; L561-D565 HydrophobicContact CB-CB 4.04Å; L561-D565 HydrophobicContact CD2-CB 4.16Å; L561-D565 HydrophobicContact CG-CB 4.5Å; S562-D565 VanDerWaalsContact CB-OD2 3.27Å; S562-D565 WeakPolarHBondContact CB-OD2 3.48Å; S562-D565 CarbonylContact O-C 3.57Å; S562-D565 WeakPolarHBondContact O-CA 3.21Å; S562-D565 PolarHBondContact O-N 3.46Å
566T44.6Very low48.9Very low44 Ų4495.2 Ų95.227%0.2754%0.539SS..SBendtrans-74.5151.7173.851.10000112.8R291 L561 S562 P563 S568R291-T566 PolarHBondContact NH2-O 3.41Å; L561-T566 HydrophobicContact CB-CG2 3.9Å; S562-T566 PolarHBondContact O-N 3.11Å; S562-T566 PolarHBondContact O-OG1 3.04Å; P563-T566 VanDerWaalsContact CA-OG1 3.25Å; P563-T566 WeakPolarHBondContact CA-OG1 3.5Å; P563-T566 PolarHBondContact O-OG1 3.22Å; T566-S568 PolarHBondContact O-N 3.28Å
567Y44.3Very low46.1Very low65 Ų6595 Ų9526%0.25554%0.543SS..  trans-48.598.4164-62.9-83.3000109.3E287 I534 D569E287-Y567 HydrophobicContact CB-CD1 4.38Å; E287-Y567 WeakPolarHBondContact OE2-CD1 3.29Å; I534-Y567 HydrophobicContact CG2-CE2 4.23Å; Y567-D569 PolarHBondContact O-N 3.08Å
568S34.5Very low43.5Very low62 Ų6295.7 Ų95.743%0.43456%0.56SS.*  trans-88.6106.3-172.468.60000109T566 R570T566-S568 PolarHBondContact O-N 3.28Å; S568-R570 PolarHBondContact O-N 3.25Å
569D35.3Very low41.2Very low115 Ų115102 Ų10262%0.61557%0.574SS**  trans-61.299.6160.3-99.3-36.8000108.5Y567Y567-D569 PolarHBondContact O-N 3.08Å
570R33.1Very low39Very low237 Ų237107.9 Ų107.989%0.89460%0.603SS**  trans-115.266.8159.9-76.1-168.9176.1-165.9-0.4108.7S568S568-R570 PolarHBondContact O-N 3.25Å
571S34.5Very low37.2Very low95 Ų95106.8 Ų106.866%0.66461%0.611SS**  trans-107.2118.8148.264.40000107.5S573S571-S573 PolarHBondContact O-N 3.32Å
572G35.8Very low35.9Very low87 Ų87110 Ų11090%0.89763%0.625SS**  trans-69.7113.5-179.200000110.7
573S28Very low35.1Very low103 Ų103111.5 Ų111.572%0.7263%0.63SS**  trans-156.3134.2147.267.20000109.1S571 S575S571-S573 PolarHBondContact O-N 3.32Å; S573-S575 PolarHBondContact O-N 3.39Å
574S33.7Very low34.4Very low126 Ų126113.8 Ų113.888%0.88163%0.63SS**  trans-81.1102.1-177.7490000110.8
575S27.3Very low34.1Very low83 Ų83105 Ų10558%0.5860%0.598SS**  trans-163.5144.7155.548.10000109.9S573 D577S573-S575 PolarHBondContact O-N 3.39Å; S575-D577 PolarHBondContact O-N 3.22Å; S575-D577 VanDerWaalsContact O-N 3.16Å
576P31Very low33.5Very low125 Ų125106.8 Ų106.881%0.81261%0.611SS**  trans-87.186.6-174.534.9-29.3000109.9S578P576-S578 PolarHBondContact O-N 3.27Å
577D27Very low32.6Very low149 Ų149109.2 Ų109.280%0.79763%0.63SS**  trans-87.697.4161.5-80.9-15.5000108.5S575 E579S575-D577 PolarHBondContact O-N 3.22Å; S575-D577 VanDerWaalsContact O-N 3.16Å; D577-E579 PolarHBondContact O-N 3.34Å; D577-E579 VanDerWaalsContact O-N 3.16Å
578S29.8Very low32.2Very low109 Ų109109.4 Ų109.476%0.76264%0.637SS**THydrogen-bonded Turntrans-67.797.4168.350.80000109.6P576P576-S578 PolarHBondContact O-N 3.27Å
579E30.7Very low32Very low188 Ų188113.1 Ų113.188%0.87965%0.652SS**THydrogen-bonded Turntrans-176.16.8149.9-106.1169.2-158.600115.4D577D577-E579 PolarHBondContact O-N 3.34Å; D577-E579 VanDerWaalsContact O-N 3.16Å
580I34.6Very low31.7Very low143 Ų143115.6 Ų115.673%0.73366%0.66SS**  trans-107.655.4179.9-46.3178.8000111.5
581T29.8Very low31.6Very low106 Ų106115.5 Ų115.565%0.6568%0.678SS**  trans-130.9100.7159.632.30000106.7
582E33Very low31.5Very low85 Ų85116.6 Ų116.640%0.39768%0.678SS.*  trans167.4123.4140.1-90.6152165.200111.2R560 K584R560-E582 IonicContact CZ-OE1 3.47Å; R560-E582 IonicContact NE-OE1 3.63Å; R560-E582 IonicContact NH2-OE1 3.21Å; R560-E582 PolarHBondContact NH2-OE1 3.26Å; E582-K584 HydrophobicContact CB-CB 3.77Å; E582-K584 HydrophobicContact CB-CD 4.18Å; E582-K584 HydrophobicContact CB-CG 3.66Å; E582-K584 VanDerWaalsContact CD-CD 3.47Å; E582-K584 HydrophobicContact CG-CB 4.47Å; E582-K584 HydrophobicContact CG-CD 4.19Å; E582-K584 HydrophobicContact CG-CG 3.81Å; E582-K584 PolarHBondContact O-N 3.05Å; E582-K584 WeakPolarHBondContact OE1-CE 3.33Å; E582-K584 IonicContact OE1-NZ 2.77Å; E582-K584 PolarHBondContact OE1-NZ 3.32Å; E582-K584 VanDerWaalsContact OE1-NZ 3.13Å; E582-K584 WeakPolarHBondContact OE2-CD 3.46Å; E582-K584 WeakPolarHBondContact OE2-CE 3.47Å; E582-K584 IonicContact OE2-NZ 2.86Å; E582-K584 PolarHBondContact OE2-NZ 3Å
583L33Very low31.2Very low68 Ų68118.1 Ų118.136%0.35667%0.667SS.*  trans-67.676.2137.6-80.4158.1000106L561L561-L583 HydrophobicContact CD1-CD1 3.68Å; L561-L583 HydrophobicContact CG-CD1 4.45Å
584K31Very low31.4Very low148 Ų148118.9 Ų118.964%0.64366%0.664SS**PPolyproline II helixtrans-88.7118.9164.5-102.9-178.8-177.1149.70104.4E582E582-K584 HydrophobicContact CB-CB 3.77Å; E582-K584 HydrophobicContact CB-CD 4.18Å; E582-K584 HydrophobicContact CB-CG 3.66Å; E582-K584 VanDerWaalsContact CD-CD 3.47Å; E582-K584 HydrophobicContact CG-CB 4.47Å; E582-K584 HydrophobicContact CG-CD 4.19Å; E582-K584 HydrophobicContact CG-CG 3.81Å; E582-K584 PolarHBondContact O-N 3.05Å; E582-K584 WeakPolarHBondContact OE1-CE 3.33Å; E582-K584 IonicContact OE1-NZ 2.77Å; E582-K584 PolarHBondContact OE1-NZ 3.32Å; E582-K584 VanDerWaalsContact OE1-NZ 3.13Å; E582-K584 WeakPolarHBondContact OE2-CD 3.46Å; E582-K584 WeakPolarHBondContact OE2-CE 3.47Å; E582-K584 IonicContact OE2-NZ 2.86Å; E582-K584 PolarHBondContact OE2-NZ 3Å
585F39.3Very low31.3Very low41 Ų41118.5 Ų118.518%0.1865%0.651CS.*PPolyproline II helixtrans-54.4140.6164.4-63.4-84.2000107.7L467 K535 P538 S587L467-F585 WeakPolarHBondContact O-CE2 3.37Å; K535-F585 HydrophobicContact CG-CD1 4.21Å; K535-F585 HydrophobicContact CG-CE1 4.3Å; P538-F585 HydrophobicContact CG-CE1 4.14Å; F585-S587 PolarHBondContact O-N 3.19Å
586P32.5Very low31.5Very low64 Ų64120.8 Ų120.842%0.41666%0.655SS.*PPolyproline II helixtrans-61.7140-167.724-32.4000111.3V588P586-V588 PolarHBondContact O-N 3.04Å
587S27Very low31.6Very low95 Ų95120.5 Ų120.566%0.66465%0.645SS**  trans-57.8112160.347.50000109.1F585 N589F585-S587 PolarHBondContact O-N 3.19Å; S587-N589 PolarHBondContact O-N 3.11Å
588V36Very low31.9Very low68 Ų68118.4 Ų118.441%0.41263%0.634SS.*  trans-69.4116.7161.7-176.80000106F473 P586 H590F473-V588 HydrophobicContact CE2-CG1 4.32Å; F473-V588 HydrophobicContact CZ-CB 4.42Å; F473-V588 HydrophobicContact CZ-CG1 3.99Å; P586-V588 PolarHBondContact O-N 3.04Å; V588-H590 PolarHBondContact O-N 3Å
589N28.8Very low32.1Very low140 Ų140119.2 Ų119.275%0.74962%0.624SS**  trans-56.4126.3176.5-81-22.2000109S587 D591S587-N589 PolarHBondContact O-N 3.11Å; N589-D591 PolarHBondContact O-N 3.3Å
590H30.7Very low32.2Very low167 Ų167113.4 Ų113.477%0.77360%0.603SS**  trans-70.1103163.2-72.6-68.8000107.3V588V588-H590 PolarHBondContact O-N 3Å
591D30.2Very low31.9Very low236 Ų236110.7 Ų110.7100%1.26259%0.591SS**  trans-1490146.9-84.8-33.5000109.2N589N589-D591 PolarHBondContact O-N 3.3Å

Retrieved 591 of 591 residues in 223.4 ms (Link to these results)

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