A0A077ZKD1_TRITR 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 A0A077ZKD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 967 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
1M66.8Low93.8Very high178 Ų17827.7 Ų27.788%0.87715%0.149SC*.  0142.80-150.5-172-74.800106.7T3 D135M1-T3 PolarHBondContact O-N 3.06Å; M1-D135 WeakPolarHBondContact CE-OD1 3.48Å; M1-D135 HydrophobicContact SD-CB 4.12Å; M1-D135 VanDerWaalsContact SD-CG 3.58Å
2T88.3Confident93.8Very high84 Ų8430.1 Ų30.152%0.51517%0.165SC..PPolyproline II helixtrans-76.5122.4176.4-51.10000108.7N4T2-N4 PolarHBondContact O-ND2 3.39Å
3T96.6Very high93.8Very high23 Ų2332.4 Ų32.414%0.14118%0.18CC..PPolyproline II helixtrans-67.6132.9177.1-58.90000110.5M1 Y5 G131 H134 V137M1-T3 PolarHBondContact O-N 3.06Å; T3-Y5 HydrophobicContact CG2-CE1 4.32Å; T3-Y5 HydrophobicContact CG2-CE2 3.9Å; T3-G131 WeakPolarHBondContact CG2-O 3.42Å; T3-H134 WeakPolarHBondContact CB-O 3.26Å; T3-H134 WeakPolarHBondContact CG2-O 3.26Å; T3-H134 PolarHBondContact OG1-O 3.34Å; T3-V137 HydrophobicContact CG2-CB 4.44Å; T3-V137 HydrophobicContact CG2-CG2 3.36Å
4N98.3Very high93.5Very high3 Ų335.3 Ų35.32%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-104143.1177-52.7-83.9000110.4T2 D135 V136 V137 H168 F264T2-N4 PolarHBondContact O-ND2 3.39Å; N4-D135 PolarHBondContact N-O 2.77Å; N4-D135 PolarHBondContact ND2-O 3.01Å; N4-V136 CarbonylContact O-C 3.55Å; N4-V136 WeakPolarHBondContact O-CA 3.41Å; N4-V137 PolarHBondContact O-N 3.41Å; N4-H168 CarbonylContact C-O 3.6Å; N4-H168 VanDerWaalsContact CA-O 3.31Å; N4-H168 WeakPolarHBondContact CA-O 3.29Å; N4-H168 WeakPolarHBondContact OD1-CA 3.5Å; N4-H168 PolarHBondContact OD1-ND1 3.39Å; N4-F264 HydrophobicContact CB-CB 4.47Å; N4-F264 HydrophobicContact CB-CD1 4.01Å; N4-F264 HydrophobicContact CB-CD2 3.57Å; N4-F264 HydrophobicContact CB-CE1 4.03Å; N4-F264 HydrophobicContact CB-CE2 3.57Å; N4-F264 HydrophobicContact CB-CG 3.79Å; N4-F264 HydrophobicContact CB-CZ 3.79Å
5Y98.6Very high93Very high13 Ų1341 Ų415%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-116.4128.7-176.4-62.2-94.6000111.2T3 F7 V127 V137 V139 M160 I164 H168 T169 L170T3-Y5 HydrophobicContact CG2-CE1 4.32Å; T3-Y5 HydrophobicContact CG2-CE2 3.9Å; Y5-F7 HydrophobicContact CG-CZ 4.36Å; Y5-V127 HydrophobicContact CD1-CG1 4.16Å; Y5-V127 HydrophobicContact CE1-CG1 4.12Å; Y5-V137 CarbonylContact C-O 3.59Å; Y5-V137 WeakPolarHBondContact CA-O 3.31Å; Y5-V137 HydrophobicContact CD1-CB 3.86Å; Y5-V137 HydrophobicContact CD1-CG1 4.12Å; Y5-V137 HydrophobicContact CD1-CG2 4.37Å; Y5-V137 HydrophobicContact CE1-CB 4.08Å; Y5-V137 HydrophobicContact CE1-CG1 4.25Å; Y5-V137 HydrophobicContact CE1-CG2 4.14Å; Y5-V139 HydrophobicContact CD1-CG2 4.23Å; Y5-M160 HydrophobicContact CD1-CE 4.43Å; Y5-M160 HydrophobicContact CE1-CE 4.32Å; Y5-I164 HydrophobicContact CD2-CD1 3.73Å; Y5-I164 HydrophobicContact CE2-CD1 3.7Å; Y5-H168 PolarHBondContact N-O 2.96Å; Y5-T169 CarbonylContact O-C 3.45Å; Y5-T169 VanDerWaalsContact O-CA 3.29Å; Y5-T169 WeakPolarHBondContact O-CA 3.23Å; Y5-L170 PolarHBondContact O-N 2.92Å
6I98.6Very high92.8Very high0 Ų039.3 Ų39.30%024%0.236CC..EExtended strand (participates in β ladder)trans-111.7105170.8-53.5179.5000107.7V8 L25 L29 V136 V137 L138 V139 L170 M172 I260 F264I6-V8 HydrophobicContact CG2-CG2 4.33Å; I6-V8 PolarHBondContact O-N 3.14Å; I6-L25 HydrophobicContact CD1-CD2 4.1Å; I6-L29 HydrophobicContact CD1-CD1 4.29Å; I6-V136 HydrophobicContact CD1-CG1 3.74Å; I6-V136 HydrophobicContact CG1-CG1 3.97Å; I6-V137 PolarHBondContact N-O 2.91Å; I6-L138 HydrophobicContact CB-CG 4.32Å; I6-L138 WeakPolarHBondContact O-CA 3.34Å; I6-V139 PolarHBondContact O-N 2.94Å; I6-L170 CarbonylContact C-O 3.49Å; I6-L170 WeakPolarHBondContact CA-O 3.13Å; I6-L170 HydrophobicContact CG1-CB 4.34Å; I6-L170 HydrophobicContact CG2-CB 4.46Å; I6-M172 HydrophobicContact CG2-CB 3.99Å; I6-I260 HydrophobicContact CD1-CD1 4.11Å; I6-I260 HydrophobicContact CD1-CG2 3.84Å; I6-F264 HydrophobicContact CD1-CE2 3.97Å; I6-F264 HydrophobicContact CG1-CE2 3.61Å; I6-F264 HydrophobicContact CG1-CZ 3.83Å
7F98.5Very high92.7Very high0 Ų038.7 Ų38.70%024%0.239CC..EExtended strand (participates in β ladder)trans-82.5115.6176.9-53.1-68.2000109.9Y5 V127 V139 I157 M160 A161 T169 L170 F171 M172Y5-F7 HydrophobicContact CG-CZ 4.36Å; F7-V127 HydrophobicContact CE1-CG1 4.49Å; F7-V139 HydrophobicContact CD1-CB 3.84Å; F7-V139 HydrophobicContact CD1-CG1 4.24Å; F7-V139 HydrophobicContact CD1-CG2 4.08Å; F7-V139 HydrophobicContact CE1-CB 4.37Å; F7-V139 HydrophobicContact CE1-CG2 4.15Å; F7-I157 HydrophobicContact CB-CD1 3.89Å; F7-I157 HydrophobicContact CD1-CB 3.64Å; F7-I157 HydrophobicContact CD1-CD1 4.44Å; F7-I157 HydrophobicContact CD1-CG2 3.44Å; F7-I157 VanDerWaalsContact CD1-CG2 3.44Å; F7-I157 HydrophobicContact CD2-CB 4.27Å; F7-I157 HydrophobicContact CE1-CB 3.81Å; F7-I157 HydrophobicContact CE1-CG2 3.63Å; F7-I157 HydrophobicContact CE2-CB 4.39Å; F7-I157 HydrophobicContact CG-CB 3.9Å; F7-I157 HydrophobicContact CG-CD1 4.18Å; F7-I157 HydrophobicContact CG-CG2 4.16Å; F7-I157 HydrophobicContact CZ-CB 4.19Å; F7-I157 HydrophobicContact CZ-CG2 4.45Å; F7-M160 HydrophobicContact CE1-SD 4.32Å; F7-M160 HydrophobicContact CZ-CB 3.96Å; F7-M160 HydrophobicContact CZ-CE 4.42Å; F7-M160 HydrophobicContact CZ-SD 4.4Å; F7-A161 HydrophobicContact CE2-CB 4.39Å; F7-T169 HydrophobicContact CE2-CG2 4.04Å; F7-T169 HydrophobicContact CZ-CG2 4.48Å; F7-L170 PolarHBondContact N-O 3.26Å; F7-F171 HydrophobicContact CB-CD1 3.77Å; F7-F171 HydrophobicContact CB-CE1 3.99Å; F7-F171 AromaticContact CD2-CD1 3.94Å; F7-F171 HydrophobicContact CD2-CD1 3.94Å; F7-F171 AromaticContact CD2-CE1 3.58Å; F7-F171 HydrophobicContact CD2-CE1 3.58Å; F7-F171 HydrophobicContact CD2-CE2 4.35Å; F7-F171 HydrophobicContact CD2-CG 4.48Å; F7-F171 AromaticContact CD2-CZ 3.81Å; F7-F171 HydrophobicContact CD2-CZ 3.81Å; F7-F171 HydrophobicContact CE2-CE1 4.4Å; F7-F171 HydrophobicContact CE2-CZ 4.25Å; F7-F171 HydrophobicContact CG-CD1 4.27Å; F7-F171 HydrophobicContact CG-CE1 4.05Å; F7-M172 PolarHBondContact O-N 2.74Å
8V98.3Very high92.7Very high0 Ų037.7 Ų37.70%023%0.231CC..EExtended strand (participates in β ladder)trans-100.7117.1-176.9-168.60000109.5I6 A22 V139 I141 M172 L174I6-V8 HydrophobicContact CG2-CG2 4.33Å; I6-V8 PolarHBondContact O-N 3.14Å; V8-A22 HydrophobicContact CG1-CB 4.44Å; V8-A22 HydrophobicContact CG2-CB 4.15Å; V8-V139 PolarHBondContact N-O 3.11Å; V8-I141 PolarHBondContact O-N 2.97Å; V8-M172 WeakPolarHBondContact CA-O 3.37Å; V8-M172 HydrophobicContact CB-CE 4.33Å; V8-M172 HydrophobicContact CG1-CE 3.7Å; V8-M172 HydrophobicContact CG2-CE 3.72Å; V8-L174 HydrophobicContact CG1-CD1 3.79Å
9T98.1Very high92.7Very high1 Ų135.9 Ų35.91%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-123.6161-17956.80000110.1I141 L154 I157 M172 H173 L174T9-I141 HydrophobicContact CG2-CB 4.15Å; T9-I141 HydrophobicContact CG2-CG1 3.91Å; T9-L154 HydrophobicContact CG2-CD2 3.81Å; T9-I157 HydrophobicContact CG2-CD1 4.23Å; T9-M172 PolarHBondContact N-O 2.97Å; T9-H173 CarbonylContact O-C 3.59Å; T9-H173 WeakPolarHBondContact O-CA 3.39Å; T9-H173 PolarHBondContact OG1-ND1 3.5Å; T9-L174 PolarHBondContact O-N 3.33Å
10G96.2Very high92.8Very high3 Ų335.2 Ų35.23%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-131.2151.317300000111.6V145 L174G10-V145 WeakPolarHBondContact O-CG2 3.34Å; G10-V145 PolarHBondContact O-N 3.49Å; G10-L174 CarbonylContact C-O 3.31Å; G10-L174 WeakPolarHBondContact CA-O 3.38Å
11G93.9Very high92.9Very high0 Ų033.5 Ų33.50%021%0.205CC..  trans-144.7179175.800000112V13 L16 H173 L174 S194G11-V13 PolarHBondContact O-N 3.26Å; G11-L16 VanDerWaalsContact O-CD1 3.28Å; G11-L16 WeakPolarHBondContact O-CD1 3.14Å; G11-H173 PolarHBondContact N-CE1 2.85Å; G11-L174 PolarHBondContact N-O 2.86Å; G11-S194 VanDerWaalsContact CA-OG 3.25Å; G11-S194 WeakPolarHBondContact CA-OG 3.08Å
12V94Very high94.4Very high56 Ų5625 Ų2534%0.33916%0.163SC..SBendtrans71-60.8-168.6-167.20000113.2L176 P190V12-L176 HydrophobicContact CB-CB 4.08Å; V12-L176 HydrophobicContact CG1-CB 3.93Å; V12-P190 HydrophobicContact CB-CB 4.46Å; V12-P190 HydrophobicContact CG1-CB 3.71Å; V12-P190 HydrophobicContact CG2-CB 3.81Å
13V93.6Very high94.8Very high60 Ų6021 Ų2136%0.36414%0.138SC..SBendtrans-146.3158.4179.1-660000111.3G11 L16 L176G11-V13 PolarHBondContact O-N 3.26Å; V13-L16 HydrophobicContact CG2-CD1 4.2Å; V13-L16 HydrophobicContact CG2-CD2 3.59Å; V13-L16 HydrophobicContact CG2-CG 3.8Å; V13-L16 WeakPolarHBondContact O-CD1 3.46Å; V13-L16 WeakPolarHBondContact O-CG 3.48Å; V13-L176 HydrophobicContact CG2-CB 4.18Å; V13-L176 HydrophobicContact CG2-CD2 3.96Å
14S88.6Confident94.8Very high73 Ų7319.9 Ų19.951%0.5113%0.132SC..SBendtrans-73.4176.7165.860.50000111.4L16S14-L16 PolarHBondContact O-N 3.39Å; S14-L16 VanDerWaalsContact O-N 3.16Å
15S86.9Confident94.8Very high121 Ų12119.8 Ų19.885%0.84613%0.131SC*.  trans59.526.1176.8-51.30000116G17S15-G17 PolarHBondContact O-N 3.02Å
16L89.4Confident94.8Very high14 Ų1419.1 Ų19.17%0.07313%0.129CC..SBendtrans-74.1-4.8175.6-73178.5000114.9G11 V13 S14 L176 R211G11-L16 VanDerWaalsContact O-CD1 3.28Å; G11-L16 WeakPolarHBondContact O-CD1 3.14Å; V13-L16 HydrophobicContact CG2-CD1 4.2Å; V13-L16 HydrophobicContact CG2-CD2 3.59Å; V13-L16 HydrophobicContact CG2-CG 3.8Å; V13-L16 WeakPolarHBondContact O-CD1 3.46Å; V13-L16 WeakPolarHBondContact O-CG 3.48Å; S14-L16 PolarHBondContact O-N 3.39Å; S14-L16 VanDerWaalsContact O-N 3.16Å; L16-L176 HydrophobicContact CD2-CB 3.96Å; L16-L176 HydrophobicContact CD2-CD1 4.01Å; L16-R211 HydrophobicContact CB-CG 4.31Å; L16-R211 HydrophobicContact CD2-CB 4.1Å; L16-R211 HydrophobicContact CD2-CG 4.46Å; L16-R211 WeakPolarHBondContact O-CD 3.25Å; L16-R211 PolarHBondContact O-NE 3.33Å
17G91.1Very high94.8Very high29 Ų2919.2 Ų19.230%0.29913%0.129SC..  trans79.641.4-172.200000113S15 A21S15-G17 PolarHBondContact O-N 3.02Å; G17-A21 WeakPolarHBondContact O-CB 3.37Å; G17-A21 PolarHBondContact O-N 3.46Å
18K93.7Very high94.8Very high21 Ų2119.2 Ų19.29%0.09113%0.129CC..Hα-helixtrans-56.7-55.6174.8-72.6-167.5-59.1-91.30111.7I20 A21 A22 E140 I141 G143 L174K18-I20 VanDerWaalsContact C-N 3.34Å; K18-I20 PolarHBondContact O-N 3.18Å; K18-A21 PolarHBondContact O-N 3.04Å; K18-A21 VanDerWaalsContact O-N 3.16Å; K18-A22 PolarHBondContact O-N 3.32Å; K18-E140 HydrophobicContact CB-CG 4.4Å; K18-E140 WeakPolarHBondContact CB-OE1 3.45Å; K18-E140 WeakPolarHBondContact CE-OE1 3.22Å; K18-I141 WeakPolarHBondContact CE-O 3.47Å; K18-G143 PolarHBondContact NZ-O 3.48Å; K18-L174 HydrophobicContact CB-CD2 4.31Å; K18-L174 HydrophobicContact CG-CB 4.41Å; K18-L174 HydrophobicContact CG-CD2 3.99Å
19G92.8Very high94.8Very high3 Ų319.2 Ų19.23%0.03113%0.129CC..Hα-helixtrans-54.9-46.2177.700000113.2A21 A22 A23 E140G19-A21 PolarHBondContact O-N 2.82Å; G19-A22 PolarHBondContact O-N 2.93Å; G19-A23 WeakPolarHBondContact O-CB 3.43Å; G19-A23 PolarHBondContact O-N 3.37Å; G19-E140 WeakPolarHBondContact CA-OE2 3.38Å; G19-E140 PolarHBondContact N-OE1 2.74Å; G19-E140 PolarHBondContact N-OE2 2.79Å
20I93.9Very high94.8Very high21 Ų2120.8 Ų20.811%0.10814%0.136CC..Hα-helixtrans-64.3-40.9177.7-61.5-62.9000112.4K18 S24 H75 F79 I244 I247K18-I20 VanDerWaalsContact C-N 3.34Å; K18-I20 PolarHBondContact O-N 3.18Å; I20-S24 VanDerWaalsContact O-CB 3.24Å; I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 3.23Å; I20-S24 PolarHBondContact O-OG 3.45Å; I20-H75 HydrophobicContact CD1-CB 4.14Å; I20-F79 HydrophobicContact CD1-CE2 4.23Å; I20-F79 HydrophobicContact CG2-CZ 4.43Å; I20-I244 HydrophobicContact CD1-CD1 4.19Å; I20-I244 HydrophobicContact CG2-CB 4.22Å; I20-I244 HydrophobicContact CG2-CG2 4.33Å; I20-I247 HydrophobicContact CG2-CD1 3.42Å; I20-I247 VanDerWaalsContact CG2-CD1 3.42Å
21A95.5Very high94.8Very high0 Ų022 Ų220%015%0.146CC..Hα-helixtrans-66.8-40.5177.700000111.8G17 K18 G19 L25 L174 I209 L238G17-A21 WeakPolarHBondContact O-CB 3.37Å; G17-A21 PolarHBondContact O-N 3.46Å; K18-A21 PolarHBondContact O-N 3.04Å; K18-A21 VanDerWaalsContact O-N 3.16Å; G19-A21 PolarHBondContact O-N 2.82Å; A21-L25 WeakPolarHBondContact O-CB 3.47Å; A21-L25 PolarHBondContact O-N 3.09Å; A21-L174 HydrophobicContact CB-CD2 3.93Å; A21-I209 HydrophobicContact CB-CD1 4.2Å; A21-L238 HydrophobicContact CB-CD2 4.13Å
22A97Very high95Very high0 Ų022.5 Ų22.50%015%0.148CC..Hα-helixtrans-63.5-50.6174.100000111V8 K18 G19 S24 L25 A26 L138V8-A22 HydrophobicContact CG1-CB 4.44Å; V8-A22 HydrophobicContact CG2-CB 4.15Å; K18-A22 PolarHBondContact O-N 3.32Å; G19-A22 PolarHBondContact O-N 2.93Å; A22-S24 VanDerWaalsContact C-N 3.31Å; A22-S24 PolarHBondContact O-N 3.15Å; A22-L25 PolarHBondContact O-N 3.49Å; A22-A26 WeakPolarHBondContact O-CB 3.32Å; A22-A26 PolarHBondContact O-N 3.41Å; A22-L138 HydrophobicContact CB-CD2 4.14Å; A22-L138 VanDerWaalsContact O-CD2 3.23Å; A22-L138 WeakPolarHBondContact O-CD2 3.2Å
23A97.2Very high95.1Very high0 Ų023.1 Ų23.10%017%0.165CC..Hα-helixtrans-56.4-43.8176.800000112.2G19 A26 A27 I38 Y76 F79G19-A23 WeakPolarHBondContact O-CB 3.43Å; G19-A23 PolarHBondContact O-N 3.37Å; A23-A26 WeakPolarHBondContact O-CB 3.43Å; A23-A26 PolarHBondContact O-N 3.01Å; A23-A27 WeakPolarHBondContact O-CB 3.17Å; A23-A27 PolarHBondContact O-N 3.28Å; A23-I38 HydrophobicContact CB-CD1 4.37Å; A23-Y76 HydrophobicContact CB-CD1 4.2Å; A23-F79 HydrophobicContact CB-CB 3.77Å; A23-F79 HydrophobicContact CB-CD1 4.35Å; A23-F79 HydrophobicContact CB-CD2 3.84Å; A23-F79 HydrophobicContact CB-CG 3.73Å
24S97.5Very high95.3Very high0 Ų021.1 Ų21.10%015%0.152CC..Hα-helixtrans-65.9-41.1177.8-61.40000112.5I20 A22 A26 A27 I28 F79 I247I20-S24 VanDerWaalsContact O-CB 3.24Å; I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 3.23Å; I20-S24 PolarHBondContact O-OG 3.45Å; A22-S24 VanDerWaalsContact C-N 3.31Å; A22-S24 PolarHBondContact O-N 3.15Å; S24-A26 VanDerWaalsContact C-N 3.35Å; S24-A27 PolarHBondContact O-N 2.92Å; S24-I28 VanDerWaalsContact O-CG1 3.3Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.41Å; S24-F79 VanDerWaalsContact OG-CE1 3.3Å; S24-F79 WeakPolarHBondContact OG-CE1 3.46Å; S24-I247 WeakPolarHBondContact OG-CB 3.49Å; S24-I247 VanDerWaalsContact OG-CG2 3.25Å; S24-I247 WeakPolarHBondContact OG-CG2 3.42Å
25L98.2Very high95.7Very high0 Ų020.8 Ų20.80%015%0.145CC..Hα-helixtrans-63.8-43.6174.3172.760000110.9I6 A21 A22 A27 I28 L29 L138 M172 L251 L256 I260I6-L25 HydrophobicContact CD1-CD2 4.1Å; A21-L25 WeakPolarHBondContact O-CB 3.47Å; A21-L25 PolarHBondContact O-N 3.09Å; A22-L25 PolarHBondContact O-N 3.49Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 2.85Å; L25-I28 PolarHBondContact O-N 3.36Å; L25-I28 VanDerWaalsContact O-N 3.15Å; L25-L29 HydrophobicContact CD1-CD1 4.3Å; L25-L29 HydrophobicContact CD1-CG 4.21Å; L25-L29 HydrophobicContact CG-CD1 4.22Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.05Å; L25-L138 HydrophobicContact CB-CD2 4.2Å; L25-L138 HydrophobicContact CD2-CD2 3.97Å; L25-L138 HydrophobicContact CG-CD2 4.14Å; L25-M172 HydrophobicContact CD2-CE 4.01Å; L25-M172 HydrophobicContact CD2-SD 3.77Å; L25-L251 HydrophobicContact CB-CD1 4.41Å; L25-L256 HydrophobicContact CD1-CD2 4.2Å; L25-L256 HydrophobicContact CD1-CG 4.2Å; L25-I260 HydrophobicContact CD1-CD1 3.55Å; L25-I260 HydrophobicContact CD2-CD1 3.56Å; L25-I260 HydrophobicContact CG-CD1 4.15Å
26A98.2Very high96.3Very high0 Ų015.1 Ų15.10%011%0.105CC..Hα-helixtrans-60.5-40.817700000111.7A22 A23 S24 I28 L29 E30 V36 I38 I80 L138A22-A26 WeakPolarHBondContact O-CB 3.32Å; A22-A26 PolarHBondContact O-N 3.41Å; A23-A26 WeakPolarHBondContact O-CB 3.43Å; A23-A26 PolarHBondContact O-N 3.01Å; S24-A26 VanDerWaalsContact C-N 3.35Å; A26-I28 VanDerWaalsContact C-N 3.3Å; A26-I28 PolarHBondContact O-N 3.08Å; A26-L29 PolarHBondContact O-N 3.44Å; A26-E30 WeakPolarHBondContact O-CB 3.45Å; A26-E30 PolarHBondContact O-N 3.17Å; A26-V36 HydrophobicContact CB-CG1 3.83Å; A26-I38 HydrophobicContact CB-CD1 3.45Å; A26-I38 VanDerWaalsContact CB-CD1 3.45Å; A26-I38 HydrophobicContact CB-CG1 3.83Å; A26-I80 HydrophobicContact CB-CG2 3.64Å; A26-L138 HydrophobicContact CB-CD1 3.93Å; A26-L138 HydrophobicContact CB-CD2 4.22Å
27A98Very high96.7Very high1 Ų114.5 Ų14.51%0.00810%0.102CC..Hα-helixtrans-59.9-38.1174.700000112.7A23 S24 L25 A31 F79 W276A23-A27 WeakPolarHBondContact O-CB 3.17Å; A23-A27 PolarHBondContact O-N 3.28Å; S24-A27 PolarHBondContact O-N 2.92Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 2.85Å; A27-A31 VanDerWaalsContact O-CB 3.27Å; A27-A31 WeakPolarHBondContact O-CB 3.33Å; A27-A31 PolarHBondContact O-N 3.47Å; A27-F79 HydrophobicContact CB-CB 4.31Å; A27-F79 HydrophobicContact CB-CD1 4.02Å; A27-F79 WeakPolarHBondContact CB-O 3.2Å; A27-W276 HydrophobicContact CB-CZ2 3.82Å
28I98.3Very high97Very high0 Ų013.1 Ų13.10%09%0.088CC..Hα-helixtrans-68.6-42.5175.7-57.9160.5000110.7S24 L25 A26 A31 R32 P248 L251 K252 D257 A271 L273S24-I28 VanDerWaalsContact O-CG1 3.3Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.41Å; L25-I28 PolarHBondContact O-N 3.36Å; L25-I28 VanDerWaalsContact O-N 3.15Å; A26-I28 VanDerWaalsContact C-N 3.3Å; A26-I28 PolarHBondContact O-N 3.08Å; I28-A31 CarbonylContact O-C 3.5Å; I28-A31 WeakPolarHBondContact O-CB 3.49Å; I28-A31 PolarHBondContact O-N 2.92Å; I28-R32 WeakPolarHBondContact O-CG 3.29Å; I28-R32 PolarHBondContact O-N 3.11Å; I28-R32 VanDerWaalsContact O-N 3.13Å; I28-P248 HydrophobicContact CD1-CB 4.42Å; I28-P248 WeakPolarHBondContact CD1-O 3.26Å; I28-P248 HydrophobicContact CG1-CB 3.92Å; I28-L251 HydrophobicContact CD1-CB 3.64Å; I28-L251 HydrophobicContact CD1-CD1 4.37Å; I28-K252 HydrophobicContact CD1-CB 4.43Å; I28-D257 HydrophobicContact CB-CB 4.45Å; I28-D257 HydrophobicContact CG2-CB 3.52Å; I28-D257 VanDerWaalsContact CG2-CG 3.48Å; I28-D257 VanDerWaalsContact CG2-OD2 3.29Å; I28-D257 WeakPolarHBondContact CG2-OD2 3.44Å; I28-A271 HydrophobicContact CG2-CB 3.62Å; I28-L273 HydrophobicContact CG1-CD2 4.44Å
29L98.4Very high97.2Very high0 Ų012.1 Ų12.10%08%0.083CC..Hα-helixtrans-67.7-39.2179.1-65.9176.9000111.7I6 L25 A26 A31 R32 L34 V36 V136 D257 I260I6-L29 HydrophobicContact CD1-CD1 4.29Å; L25-L29 HydrophobicContact CD1-CD1 4.3Å; L25-L29 HydrophobicContact CD1-CG 4.21Å; L25-L29 HydrophobicContact CG-CD1 4.22Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.05Å; A26-L29 PolarHBondContact O-N 3.44Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-R32 WeakPolarHBondContact O-CB 3.48Å; L29-R32 PolarHBondContact O-N 3.14Å; L29-R32 VanDerWaalsContact O-N 3.09Å; L29-L34 HydrophobicContact CB-CD1 4.25Å; L29-L34 HydrophobicContact CD2-CD1 4.06Å; L29-L34 WeakPolarHBondContact O-CB 3.48Å; L29-L34 PolarHBondContact O-N 2.95Å; L29-V36 HydrophobicContact CB-CG2 3.63Å; L29-V136 HydrophobicContact CD1-CB 4.39Å; L29-V136 HydrophobicContact CD1-CG1 3.97Å; L29-D257 HydrophobicContact CD2-CB 4.42Å; L29-I260 HydrophobicContact CD2-CG2 4.45Å
30E98.1Very high97.3Very high35 Ų3512.5 Ų12.516%0.1648%0.084CC..Hα-helixtrans-59.9-43.3170.1177.7176.4-91.800110.8A26 R32 G33 I80 R81 R523A26-E30 WeakPolarHBondContact O-CB 3.45Å; A26-E30 PolarHBondContact O-N 3.17Å; E30-R32 PolarHBondContact O-N 3.36Å; E30-R32 VanDerWaalsContact O-N 3.14Å; E30-G33 WeakPolarHBondContact O-CA 3.38Å; E30-G33 PolarHBondContact O-N 3.44Å; E30-I80 HydrophobicContact CB-CG2 4.41Å; E30-R81 WeakPolarHBondContact OE1-CB 3.42Å; E30-R81 PolarHBondContact OE1-N 3.06Å; E30-R81 PolarHBondContact OE2-N 3.18Å; E30-R523 IonicContact OE2-CZ 3.69Å; E30-R523 IonicContact OE2-NH1 2.95Å; E30-R523 PolarHBondContact OE2-NH1 3.02Å; E30-R523 IonicContact OE2-NH2 3.34Å; E30-R523 PolarHBondContact OE2-NH2 3.42Å
31A97.6Very high97.5Very high27 Ų2711.5 Ų11.522%0.2238%0.079CC..THydrogen-bonded Turntrans-65.9-12175.300000114.2A27 I28 L29 G33 A271 N272 L273A27-A31 VanDerWaalsContact O-CB 3.27Å; A27-A31 WeakPolarHBondContact O-CB 3.33Å; A27-A31 PolarHBondContact O-N 3.47Å; I28-A31 CarbonylContact O-C 3.5Å; I28-A31 WeakPolarHBondContact O-CB 3.49Å; I28-A31 PolarHBondContact O-N 2.92Å; L29-A31 VanDerWaalsContact C-N 3.33Å; A31-G33 VanDerWaalsContact C-N 3.33Å; A31-A271 HydrophobicContact CB-CB 4.12Å; A31-A271 WeakPolarHBondContact O-CA 3.4Å; A31-N272 WeakPolarHBondContact CB-O 3.47Å; A31-N272 PolarHBondContact O-N 3.47Å; A31-N272 VanDerWaalsContact O-N 3.14Å; A31-L273 HydrophobicContact CB-CD2 3.89Å
32R97.8Very high97.5Very high12 Ų1211.8 Ų11.85%0.0458%0.081CC..THydrogen-bonded Turntrans-894.2167.4-66.8-172.3167.9-116.42.4113.1I28 L29 E30 L34 D257 D258 C268 P269 A271I28-R32 WeakPolarHBondContact O-CG 3.29Å; I28-R32 PolarHBondContact O-N 3.11Å; I28-R32 VanDerWaalsContact O-N 3.13Å; L29-R32 WeakPolarHBondContact O-CB 3.48Å; L29-R32 PolarHBondContact O-N 3.14Å; L29-R32 VanDerWaalsContact O-N 3.09Å; E30-R32 PolarHBondContact O-N 3.36Å; E30-R32 VanDerWaalsContact O-N 3.14Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-L34 HydrophobicContact CB-CG 4.49Å; R32-D257 IonicContact CZ-OD2 3.55Å; R32-D257 IonicContact NE-OD2 3.47Å; R32-D257 PolarHBondContact NE-OD2 3.18Å; R32-D257 IonicContact NH2-OD2 2.77Å; R32-D257 PolarHBondContact NH2-OD2 3Å; R32-D258 IonicContact CZ-OD1 2.53Å; R32-D258 IonicContact NH1-OD1 3.51Å; R32-D258 PolarHBondContact NH1-OD1 2.93Å; R32-D258 VanDerWaalsContact NH2-CG 3.25Å; R32-D258 IonicContact NH2-OD1 2.63Å; R32-D258 PolarHBondContact NH2-OD1 3.13Å; R32-D258 IonicContact NH2-OD2 3.09Å; R32-C268 HydrophobicContact CB-CB 4.26Å; R32-P269 VanDerWaalsContact CG-O 3.31Å; R32-P269 WeakPolarHBondContact CG-O 3.09Å; R32-P269 PolarHBondContact NH1-O 3.35Å; R32-P269 VanDerWaalsContact O-CD 3.24Å; R32-P269 WeakPolarHBondContact O-CD 3.04Å; R32-P269 VanDerWaalsContact O-CG 3.29Å; R32-P269 WeakPolarHBondContact O-CG 3.47Å; R32-A271 HydrophobicContact CG-CB 3.7Å
33G96.6Very high97.4Very high68 Ų6812.4 Ų12.470%0.7018%0.084SC*.THydrogen-bonded Turntrans75.819.4-177.900000114.3E30 A31E30-G33 WeakPolarHBondContact O-CA 3.38Å; E30-G33 PolarHBondContact O-N 3.44Å; A31-G33 VanDerWaalsContact C-N 3.33Å
34L97.5Very high97.2Very high19 Ų1914.1 Ų14.110%0.0999%0.091CC..  trans-85.2146.3173.8-63169.9000110.5L29 R32 V36 D135 V136 L266 C268L29-L34 HydrophobicContact CB-CD1 4.25Å; L29-L34 HydrophobicContact CD2-CD1 4.06Å; L29-L34 WeakPolarHBondContact O-CB 3.48Å; L29-L34 PolarHBondContact O-N 2.95Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-L34 HydrophobicContact CB-CG 4.49Å; L34-V36 HydrophobicContact CB-CG2 3.92Å; L34-V36 PolarHBondContact O-N 3.14Å; L34-D135 HydrophobicContact CD2-CB 4.42Å; L34-V136 HydrophobicContact CD1-CG2 4.42Å; L34-L266 HydrophobicContact CD1-CD1 3.91Å; L34-L266 HydrophobicContact CD2-CD1 4.38Å; L34-C268 HydrophobicContact CD2-CB 4.08Å; L34-C268 HydrophobicContact CG-CB 4.29Å
35N97.1Very high97.1Very high66 Ų6620.8 Ų20.835%0.35313%0.125SC..  trans-80.1107169.4-176.612.6000109.9G133 H134 D135 V136N35-G133 PolarHBondContact ND2-O 2.67Å; N35-H134 VanDerWaalsContact CG-ND1 3.33Å; N35-H134 PolarHBondContact ND2-ND1 3.46Å; N35-H134 PolarHBondContact OD1-CE1 2.8Å; N35-H134 PolarHBondContact OD1-ND1 3.02Å; N35-D135 PolarHBondContact N-OD2 3.12Å; N35-D135 PolarHBondContact O-N 2.83Å; N35-V136 PolarHBondContact O-N 3.41Å
36V97.9Very high96.9Very high1 Ų123.7 Ų23.71%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-118.5143-172.1-173.50000111A26 L29 L34 T82 V136 L138A26-V36 HydrophobicContact CB-CG1 3.83Å; L29-V36 HydrophobicContact CB-CG2 3.63Å; L34-V36 HydrophobicContact CB-CG2 3.92Å; L34-V36 PolarHBondContact O-N 3.14Å; V36-T82 WeakPolarHBondContact O-CB 3.48Å; V36-T82 PolarHBondContact O-OG1 3.37Å; V36-V136 WeakPolarHBondContact CA-O 3.23Å; V36-V136 HydrophobicContact CG2-CB 4.5Å; V36-L138 HydrophobicContact CG1-CD1 3.48Å; V36-L138 VanDerWaalsContact CG1-CD1 3.48Å
37T97.9Very high96.5Very high2 Ų226.1 Ų26.11%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-135.4163169.5-162.40000111.1N88 H134 V136 V137 L138T37-N88 PolarHBondContact OG1-ND2 2.85Å; T37-N88 VanDerWaalsContact OG1-ND2 3.17Å; T37-H134 HydrophobicContact CG2-CB 4.06Å; T37-H134 WeakPolarHBondContact CG2-CD2 3.47Å; T37-V136 PolarHBondContact N-O 3.26Å; T37-V136 VanDerWaalsContact N-O 3.14Å; T37-V137 HydrophobicContact CG2-CB 4.26Å; T37-V137 HydrophobicContact CG2-CG1 3.98Å; T37-V137 HydrophobicContact CG2-CG2 3.9Å; T37-L138 PolarHBondContact O-N 3.15Å
38I98Very high96.1Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-130.6145.4179-45.9178.7000108.5A23 A26 Y76 I80 N88 L138A23-I38 HydrophobicContact CB-CD1 4.37Å; A26-I38 HydrophobicContact CB-CD1 3.45Å; A26-I38 VanDerWaalsContact CB-CD1 3.45Å; A26-I38 HydrophobicContact CB-CG1 3.83Å; I38-Y76 HydrophobicContact CB-CD1 4.33Å; I38-Y76 HydrophobicContact CB-CD2 3.81Å; I38-Y76 HydrophobicContact CB-CE2 4.2Å; I38-Y76 HydrophobicContact CB-CG 3.89Å; I38-Y76 HydrophobicContact CD1-CD1 3.88Å; I38-Y76 HydrophobicContact CD1-CG 3.93Å; I38-Y76 HydrophobicContact CG1-CG 4.47Å; I38-Y76 HydrophobicContact CG2-CD1 3.89Å; I38-Y76 HydrophobicContact CG2-CD2 3.73Å; I38-Y76 HydrophobicContact CG2-CE1 3.81Å; I38-Y76 HydrophobicContact CG2-CE2 3.64Å; I38-Y76 HydrophobicContact CG2-CG 3.88Å; I38-I80 HydrophobicContact CD1-CD1 4.01Å; I38-I80 HydrophobicContact CG1-CD1 3.82Å; I38-N88 PolarHBondContact O-ND2 2.66Å; I38-L138 CarbonylContact C-O 3.59Å; I38-L138 VanDerWaalsContact CA-O 3.29Å; I38-L138 WeakPolarHBondContact CA-O 3.4Å; I38-L138 HydrophobicContact CB-CB 4.46Å; I38-L138 HydrophobicContact CG1-CB 4.24Å; I38-L138 HydrophobicContact CG1-CD1 4.5Å; I38-L138 HydrophobicContact CG2-CB 4.08Å
39M96.8Very high95.6Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-137.8151.5171.461.2177.356.300111.7L41 N88 F90 V127 G130 V137 L138 V139 E140M39-L41 HydrophobicContact CG-CD1 4.23Å; M39-L41 HydrophobicContact SD-CD1 4.28Å; M39-N88 CarbonylContact C-O 3.57Å; M39-N88 WeakPolarHBondContact CA-O 3.5Å; M39-N88 HydrophobicContact CB-CB 4.44Å; M39-N88 WeakPolarHBondContact CB-O 3.4Å; M39-F90 HydrophobicContact SD-CE1 4.31Å; M39-V127 HydrophobicContact SD-CB 4.23Å; M39-V127 HydrophobicContact SD-CG1 3.94Å; M39-V127 HydrophobicContact SD-CG2 4.27Å; M39-G130 VanDerWaalsContact CE-CA 3.44Å; M39-V137 HydrophobicContact CE-CG1 3.95Å; M39-V137 HydrophobicContact SD-CG1 4.45Å; M39-L138 PolarHBondContact N-O 3.45Å; M39-V139 HydrophobicContact CG-CB 4.13Å; M39-V139 HydrophobicContact CG-CG1 3.97Å; M39-V139 HydrophobicContact CG-CG2 3.95Å; M39-V139 HydrophobicContact SD-CB 4.48Å; M39-V139 HydrophobicContact SD-CG1 4.06Å; M39-V139 HydrophobicContact SD-CG2 3.92Å; M39-E140 PolarHBondContact O-N 2.72Å
40K96.8Very high95Very high10 Ų1028.8 Ų28.84%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-116.2125.2-178.6-178.968.4-179.8-62.40110.8D42 D70 D72 L73 Y76 N88 N89 F90 E140K40-D42 WeakPolarHBondContact CE-OD1 3.39Å; K40-D42 WeakPolarHBondContact CG-OD2 3.4Å; K40-D42 IonicContact NZ-OD1 3.44Å; K40-D42 PolarHBondContact NZ-OD1 3.44Å; K40-D70 IonicContact NZ-OD1 3.11Å; K40-D70 PolarHBondContact NZ-OD1 3.43Å; K40-D72 HydrophobicContact CD-CB 4.47Å; K40-D72 WeakPolarHBondContact CE-OD2 3.43Å; K40-D72 IonicContact NZ-OD2 3.96Å; K40-D72 PolarHBondContact NZ-OD2 3.14Å; K40-L73 HydrophobicContact CB-CD1 3.83Å; K40-Y76 HydrophobicContact CB-CE2 4.07Å; K40-Y76 WeakPolarHBondContact CB-OH 3.46Å; K40-Y76 WeakPolarHBondContact CD-OH 3.38Å; K40-N88 PolarHBondContact N-O 3.09Å; K40-N89 WeakPolarHBondContact O-CA 3.36Å; K40-N89 PolarHBondContact O-ND2 3.18Å; K40-F90 PolarHBondContact O-N 2.96Å; K40-E140 HydrophobicContact CD-CB 4.09Å; K40-E140 HydrophobicContact CD-CG 3.91Å
41L96.6Very high94.3Very high0 Ų032.1 Ų32.10%020%0.197CC..EExtended strand (participates in β ladder)trans-104.7106.5174.1-82.365.2000109.2M39 F90 I123 V127 V139 E140 I141 G142 F153M39-L41 HydrophobicContact CG-CD1 4.23Å; M39-L41 HydrophobicContact SD-CD1 4.28Å; L41-F90 HydrophobicContact CD1-CE1 3.85Å; L41-F90 HydrophobicContact CD1-CE2 3.84Å; L41-F90 HydrophobicContact CD1-CZ 3.38Å; L41-F90 HydrophobicContact CD2-CE2 3.7Å; L41-F90 HydrophobicContact CD2-CZ 3.87Å; L41-F90 HydrophobicContact CG-CD2 4.08Å; L41-F90 HydrophobicContact CG-CE1 4.32Å; L41-F90 HydrophobicContact CG-CE2 3.38Å; L41-F90 HydrophobicContact CG-CZ 3.51Å; L41-I123 HydrophobicContact CD2-CG2 3.96Å; L41-V127 HydrophobicContact CD1-CG2 4.48Å; L41-V127 HydrophobicContact CD2-CG2 4.09Å; L41-V139 HydrophobicContact CD1-CG1 3.66Å; L41-V139 HydrophobicContact CD2-CG1 4.35Å; L41-E140 PolarHBondContact N-O 3.15Å; L41-I141 HydrophobicContact CB-CD1 4.27Å; L41-I141 HydrophobicContact CD2-CD1 3.84Å; L41-I141 HydrophobicContact CG-CD1 4.5Å; L41-G142 WeakPolarHBondContact O-CA 3.39Å; L41-G142 PolarHBondContact O-N 3.07Å; L41-F153 HydrophobicContact CB-CD1 4.34Å; L41-F153 HydrophobicContact CB-CD2 4.04Å; L41-F153 HydrophobicContact CB-CE1 4.28Å; L41-F153 HydrophobicContact CB-CE2 3.93Å; L41-F153 HydrophobicContact CB-CG 4.25Å; L41-F153 HydrophobicContact CB-CZ 4.07Å; L41-F153 HydrophobicContact CD2-CB 4.38Å; L41-F153 HydrophobicContact CD2-CD1 3.78Å; L41-F153 HydrophobicContact CD2-CE1 4.19Å; L41-F153 HydrophobicContact CD2-CG 4.07Å; L41-F153 HydrophobicContact CG-CD1 4.42Å; L41-F153 HydrophobicContact CG-CE1 4.4Å
42D95.4Very high93.7Very high7 Ų732.8 Ų32.84%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-96.4125.4-175.5-76.5-52.1000112.5K40 Y44 D70 N89 F90 T91 T92 F153K40-D42 WeakPolarHBondContact CE-OD1 3.39Å; K40-D42 WeakPolarHBondContact CG-OD2 3.4Å; K40-D42 IonicContact NZ-OD1 3.44Å; K40-D42 PolarHBondContact NZ-OD1 3.44Å; D42-Y44 HydrophobicContact CB-CD1 3.82Å; D42-Y44 HydrophobicContact CB-CE1 3.35Å; D42-Y44 HydrophobicContact CB-CE2 4.22Å; D42-Y44 HydrophobicContact CB-CG 4.41Å; D42-Y44 PolarHBondContact O-N 2.94Å; D42-Y44 PolarHBondContact OD2-OH 3.23Å; D42-D70 WeakPolarHBondContact OD2-CB 3.34Å; D42-N89 PolarHBondContact OD2-ND2 3.17Å; D42-F90 PolarHBondContact N-O 2.9Å; D42-T91 HydrophobicContact CB-CG2 4.25Å; D42-T91 CarbonylContact O-C 3.59Å; D42-T91 WeakPolarHBondContact O-CA 3.31Å; D42-T92 PolarHBondContact O-N 3.37Å; D42-F153 WeakPolarHBondContact O-CZ 3.46Å
43P95.4Very high93.1Very high12 Ų1234.5 Ų34.58%0.07821%0.21CC..  trans-79.1-3.4-169.831.1-36.7000114.3T92 E149 F153P43-T92 VanDerWaalsContact C-OG1 3.31Å; P43-T92 WeakPolarHBondContact CA-OG1 3.2Å; P43-T92 VanDerWaalsContact O-CB 3.3Å; P43-T92 WeakPolarHBondContact O-CB 3.16Å; P43-T92 PolarHBondContact O-OG1 3.32Å; P43-E149 HydrophobicContact CB-CB 3.92Å; P43-E149 HydrophobicContact CB-CG 3.76Å; P43-E149 HydrophobicContact CG-CG 4.06Å; P43-E149 WeakPolarHBondContact CG-OE1 3.29Å; P43-F153 HydrophobicContact CB-CD2 4.47Å; P43-F153 HydrophobicContact CB-CE2 4.03Å
44Y94Very high92.6Very high37 Ų3732.4 Ų32.415%0.14518%0.184CC..SBendtrans-76.2159.5-17957.1-113.5000113.8D42 N46 M52 H57 T91 T92 G93D42-Y44 HydrophobicContact CB-CD1 3.82Å; D42-Y44 HydrophobicContact CB-CE1 3.35Å; D42-Y44 HydrophobicContact CB-CE2 4.22Å; D42-Y44 HydrophobicContact CB-CG 4.41Å; D42-Y44 PolarHBondContact O-N 2.94Å; D42-Y44 PolarHBondContact OD2-OH 3.23Å; Y44-N46 HydrophobicContact CD2-CB 3.72Å; Y44-N46 HydrophobicContact CE2-CB 3.94Å; Y44-M52 HydrophobicContact CD2-SD 4.33Å; Y44-M52 HydrophobicContact CE1-SD 4.27Å; Y44-M52 HydrophobicContact CE2-SD 4.03Å; Y44-H57 AromaticContact CE1-NE2 3.49Å; Y44-H57 WeakPolarHBondContact CE1-NE2 3.17Å; Y44-T91 HydrophobicContact CD2-CG2 4.09Å; Y44-T91 HydrophobicContact CE2-CG2 3.34Å; Y44-T92 WeakPolarHBondContact O-CB 3.38Å; Y44-T92 PolarHBondContact O-N 3.32Å; Y44-G93 PolarHBondContact O-N 2.98Å; Y44-G93 VanDerWaalsContact O-N 3.08Å
45I95.3Very high91.9Very high139 Ų13934.1 Ų34.171%0.71319%0.193SC*.SBendtrans-86.7-14.3-173.3-60.6169.3000112.6V47 G93I45-V47 PolarHBondContact O-N 3.09Å; I45-G93 WeakPolarHBondContact O-CA 3.41Å
46N92.5Very high91.1Very high61 Ų6139.2 Ų39.233%0.32622%0.215SC..  trans-56132169.7-63.767.8000109.6Y44 D48 T51 M52 T91Y44-N46 HydrophobicContact CD2-CB 3.72Å; Y44-N46 HydrophobicContact CE2-CB 3.94Å; N46-D48 VanDerWaalsContact C-N 3.26Å; N46-D48 PolarHBondContact O-N 3.38Å; N46-T51 PolarHBondContact ND2-OG1 3.07Å; N46-M52 HydrophobicContact CB-CG 4.2Å; N46-M52 HydrophobicContact CB-SD 4.15Å; N46-T91 VanDerWaalsContact O-CB 3.26Å; N46-T91 WeakPolarHBondContact O-CB 3.32Å; N46-T91 PolarHBondContact O-OG1 3.13Å
47V91.3Very high90.5Very high51 Ų5140.9 Ų40.931%0.30922%0.222SC..SBendtrans-68.3-32.4-177.61700000111.4I45 T91 R94I45-V47 PolarHBondContact O-N 3.09Å; V47-T91 PolarHBondContact O-OG1 2.93Å; V47-R94 PolarHBondContact O-NH2 3.21Å
48D88.2Confident90Very high37 Ų3740.9 Ų40.920%0.19822%0.222CC..SBendtrans-149.8158.217054.272.5000108.3N46 G50 T51 R94N46-D48 VanDerWaalsContact C-N 3.26Å; N46-D48 PolarHBondContact O-N 3.38Å; D48-G50 PolarHBondContact O-N 3.44Å; D48-G50 PolarHBondContact OD1-N 2.87Å; D48-G50 VanDerWaalsContact OD1-N 3.08Å; D48-T51 PolarHBondContact O-OG1 3.17Å; D48-R94 IonicContact OD2-NH2 3.99Å
49P88.5Confident89.8Confident0 Ų041.3 Ų41.30%023%0.225CC..G310 helixtrans-75.3-4.9178.327.3-31.3000113.5T51 M52 V60 E68 T69P49-T51 PolarHBondContact O-N 3.32Å; P49-M52 HydrophobicContact CB-SD 4.07Å; P49-M52 WeakPolarHBondContact O-CB 3.33Å; P49-M52 PolarHBondContact O-N 2.84Å; P49-V60 HydrophobicContact CB-CG2 4.49Å; P49-V60 WeakPolarHBondContact O-CG2 3.41Å; P49-E68 WeakPolarHBondContact CD-O 3.25Å; P49-T69 VanDerWaalsContact CG-CA 3.46Å; P49-T69 WeakPolarHBondContact CG-O 3.43Å
50G85.6Confident89.7Confident20 Ų2041.8 Ų41.821%0.20623%0.227CC..G310 helixtrans-58.1-2517900000113.5D48 R468D48-G50 PolarHBondContact O-N 3.44Å; D48-G50 PolarHBondContact OD1-N 2.87Å; D48-G50 VanDerWaalsContact OD1-N 3.08Å; G50-R468 PolarHBondContact O-NH2 3.45Å
51T83.5Confident89.6Confident105 Ų10541.3 Ų41.364%0.64423%0.225SC*.G310 helixtrans-91.1-5.2176.359.50000114.7N46 D48 P49N46-T51 PolarHBondContact ND2-OG1 3.07Å; D48-T51 PolarHBondContact O-OG1 3.17Å; P49-T51 PolarHBondContact O-N 3.32Å
52M86Confident89.6Confident41 Ų4141.3 Ų41.320%0.20223%0.225CC..SBendtrans-84.3146.7-178.4-62.2-178.177.900111Y44 N46 P49 P54 H57Y44-M52 HydrophobicContact CD2-SD 4.33Å; Y44-M52 HydrophobicContact CE1-SD 4.27Å; Y44-M52 HydrophobicContact CE2-SD 4.03Å; N46-M52 HydrophobicContact CB-CG 4.2Å; N46-M52 HydrophobicContact CB-SD 4.15Å; P49-M52 HydrophobicContact CB-SD 4.07Å; P49-M52 WeakPolarHBondContact O-CB 3.33Å; P49-M52 PolarHBondContact O-N 2.84Å; M52-P54 WeakPolarHBondContact O-CD 3.45Å; M52-H57 HydrophobicContact CB-CB 4.04Å; M52-H57 HydrophobicContact CE-CB 3.99Å; M52-H57 WeakPolarHBondContact CE-CD2 3.38Å; M52-H57 HydrophobicContact SD-CB 4.49Å; M52-H57 VanDerWaalsContact SD-CD2 3.54Å
53S85.2Confident89.6Confident49 Ų4941 Ų4134%0.34322%0.223SC..  trans-71.8126.7176.3178.80000110.2I55 Q56 H57S53-I55 PolarHBondContact O-N 2.92Å; S53-I55 VanDerWaalsContact O-N 3.13Å; S53-I55 PolarHBondContact OG-N 2.68Å; S53-Q56 PolarHBondContact O-N 2.78Å; S53-H57 PolarHBondContact O-N 3.21Å
54P85.2Confident89.5Confident24 Ų2444 Ų4416%0.15624%0.236CC..Hα-helixtrans-59.5-25.8176.9-25.934.9000114M52 Q56 G58 Y298 A304M52-P54 WeakPolarHBondContact O-CD 3.45Å; P54-Q56 PolarHBondContact O-N 2.74Å; P54-G58 WeakPolarHBondContact CA-O 3.19Å; P54-G58 VanDerWaalsContact O-CA 3.31Å; P54-G58 WeakPolarHBondContact O-CA 3.45Å; P54-G58 PolarHBondContact O-N 2.9Å; P54-Y298 HydrophobicContact CB-CD2 4.21Å; P54-Y298 HydrophobicContact CB-CG 4.38Å; P54-Y298 HydrophobicContact CG-CD2 4.46Å; P54-Y298 HydrophobicContact CG-CE2 4.37Å; P54-A304 HydrophobicContact CB-CB 3.96Å; P54-A304 WeakPolarHBondContact O-CB 3.46Å
55I82.5Confident89.5Confident55 Ų5545.8 Ų45.828%0.28225%0.248SC..Hα-helixtrans-71.7-20.5179.6-53.8172.5000111.8S53 Y298 L301S53-I55 PolarHBondContact O-N 2.92Å; S53-I55 VanDerWaalsContact O-N 3.13Å; S53-I55 PolarHBondContact OG-N 2.68Å; I55-Y298 HydrophobicContact CD1-CD1 3.91Å; I55-Y298 HydrophobicContact CG1-CD1 3.74Å; I55-Y298 HydrophobicContact CG1-CG 4.27Å; I55-L301 VanDerWaalsContact O-CD2 3.24Å; I55-L301 WeakPolarHBondContact O-CD2 3.33Å
56Q80.1Confident89.4Confident172 Ų17239.3 Ų39.380%0.80422%0.216SC*.Hα-helixtrans-107-37.9-178.4-68.2-177.7-34.400112.7S53 P54S53-Q56 PolarHBondContact O-N 2.78Å; P54-Q56 PolarHBondContact O-N 2.74Å
57H84.8Confident89.4Confident37 Ų3736.6 Ų36.617%0.17120%0.202CC..Hα-helixtrans-101.5-16.3-173-170.9-97.4000113.3Y44 M52 S53 D70Y44-H57 AromaticContact CE1-NE2 3.49Å; Y44-H57 WeakPolarHBondContact CE1-NE2 3.17Å; M52-H57 HydrophobicContact CB-CB 4.04Å; M52-H57 HydrophobicContact CE-CB 3.99Å; M52-H57 WeakPolarHBondContact CE-CD2 3.38Å; M52-H57 HydrophobicContact SD-CB 4.49Å; M52-H57 VanDerWaalsContact SD-CD2 3.54Å; S53-H57 PolarHBondContact O-N 3.21Å; H57-D70 IonicContact CE1-OD2 3.91Å; H57-D70 PolarHBondContact CE1-OD2 2.75Å; H57-D70 IonicContact NE2-OD2 3.6Å; H57-D70 PolarHBondContact NE2-OD2 2.48Å
58G89.4Confident89.5Confident1 Ų135.4 Ų35.41%0.0119%0.193CC..  trans82.9-168.7-164.300000111.7P54 D303P54-G58 WeakPolarHBondContact CA-O 3.19Å; P54-G58 VanDerWaalsContact O-CA 3.31Å; P54-G58 WeakPolarHBondContact O-CA 3.45Å; P54-G58 PolarHBondContact O-N 2.9Å; G58-D303 CarbonylContact C-O 3.53Å; G58-D303 WeakPolarHBondContact CA-O 3.25Å
59E93Very high89.7Confident10 Ų1033.7 Ų33.75%0.04718%0.184CC..  trans-63156.1-174.874.6178.1-172.200113.4L71 D303 K306 S307E59-L71 HydrophobicContact CG-CB 3.62Å; E59-D303 PolarHBondContact N-O 3.3Å; E59-K306 HydrophobicContact CG-CB 4.1Å; E59-K306 PolarHBondContact OE2-N 3.26Å; E59-S307 WeakPolarHBondContact OE1-CB 3.34Å; E59-S307 PolarHBondContact OE1-N 3.12Å; E59-S307 PolarHBondContact OE1-OG 3.04Å; E59-S307 VanDerWaalsContact OE2-CB 3.3Å; E59-S307 WeakPolarHBondContact OE2-CB 3.06Å; E59-S307 PolarHBondContact OE2-N 3.11Å; E59-S307 PolarHBondContact OE2-OG 2.97Å
60V94Very high89.8Confident9 Ų934.2 Ų34.26%0.05519%0.187CC..  trans-98.2113.9165177.50000106.8P49 E68P49-V60 HydrophobicContact CB-CG2 4.49Å; P49-V60 WeakPolarHBondContact O-CG2 3.41Å; V60-E68 HydrophobicContact CG1-CB 3.72Å; V60-E68 HydrophobicContact CG1-CG 4.2Å
61F95.5Very high90.1Very high1 Ų134.1 Ų34.10%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-82.3141.2178.2-172.7-98.6000110.4T63 T69 L73 G74 E77 F518F61-T63 HydrophobicContact CD1-CG2 4.38Å; F61-T63 HydrophobicContact CE1-CG2 4.38Å; F61-T69 PolarHBondContact N-O 2.68Å; F61-T69 PolarHBondContact O-N 3.36Å; F61-T69 PolarHBondContact O-OG1 3.44Å; F61-L73 HydrophobicContact CD1-CB 3.86Å; F61-L73 HydrophobicContact CE1-CB 4.32Å; F61-G74 VanDerWaalsContact CD2-CA 3.5Å; F61-E77 HydrophobicContact CZ-CG 4.5Å; F61-E77 WeakPolarHBondContact CZ-OE2 3.49Å; F61-F518 AromaticContact CD2-CD1 3.45Å; F61-F518 HydrophobicContact CD2-CD1 3.45Å; F61-F518 VanDerWaalsContact CD2-CD1 3.45Å; F61-F518 AromaticContact CD2-CE1 3.87Å; F61-F518 HydrophobicContact CD2-CE1 3.87Å; F61-F518 HydrophobicContact CD2-CG 4.17Å; F61-F518 HydrophobicContact CE2-CB 3.86Å; F61-F518 AromaticContact CE2-CD1 3.54Å; F61-F518 HydrophobicContact CE2-CD1 3.54Å; F61-F518 HydrophobicContact CE2-CE1 4.41Å; F61-F518 AromaticContact CE2-CG 3.97Å; F61-F518 HydrophobicContact CE2-CG 3.97Å; F61-F518 HydrophobicContact CG-CD1 4.41Å; F61-F518 HydrophobicContact CZ-CB 4.22Å
62V95.7Very high90.5Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-112128.4176.9-177.40000110.5A67 R466 R468 F518V62-A67 WeakPolarHBondContact CA-O 3.27Å; V62-R466 WeakPolarHBondContact O-CD 3.21Å; V62-R466 PolarHBondContact O-NH1 2.83Å; V62-R468 HydrophobicContact CG2-CB 3.98Å; V62-R468 HydrophobicContact CG2-CG 4.01Å; V62-F518 HydrophobicContact CB-CD2 3.97Å; V62-F518 HydrophobicContact CB-CE2 3.82Å; V62-F518 HydrophobicContact CG2-CE2 3.87Å; V62-F518 HydrophobicContact CG2-CZ 4.46Å
63T95.8Very high90.9Very high0 Ų028.5 Ų28.50%015%0.149CC..  trans-88.3167.7176.748.10000111.5F61 D65 G66 A67 T69 L73 M84 G442F61-T63 HydrophobicContact CD1-CG2 4.38Å; F61-T63 HydrophobicContact CE1-CG2 4.38Å; T63-D65 VanDerWaalsContact C-N 3.29Å; T63-D65 PolarHBondContact O-N 3.42Å; T63-D65 PolarHBondContact OG1-OD1 3.48Å; T63-G66 PolarHBondContact O-N 3.18Å; T63-G66 VanDerWaalsContact O-N 3.1Å; T63-A67 PolarHBondContact N-O 3.3Å; T63-A67 VanDerWaalsContact N-O 3.17Å; T63-A67 WeakPolarHBondContact OG1-CA 3.45Å; T63-A67 WeakPolarHBondContact OG1-CB 3.29Å; T63-A67 PolarHBondContact OG1-N 3.32Å; T63-A67 PolarHBondContact OG1-O 3.19Å; T63-T69 HydrophobicContact CG2-CG2 4.15Å; T63-L73 HydrophobicContact CG2-CD2 3.94Å; T63-M84 WeakPolarHBondContact CB-O 3.44Å; T63-M84 HydrophobicContact CG2-CB 3.97Å; T63-G442 WeakPolarHBondContact O-CA 3.3Å
64E94.3Very high91.3Very high74 Ų7426.2 Ų26.235%0.34613%0.133SC..THydrogen-bonded Turntrans-62-36.7-179.7-66.8-175.9176.400112.5G66 K83 G442 A443 R466E64-G66 PolarHBondContact O-N 3.15Å; E64-K83 VanDerWaalsContact OE1-CD 3.25Å; E64-K83 WeakPolarHBondContact OE1-CD 3.32Å; E64-K83 WeakPolarHBondContact OE1-CE 3.41Å; E64-K83 WeakPolarHBondContact OE1-CG 3.49Å; E64-K83 IonicContact OE1-NZ 2.99Å; E64-G442 WeakPolarHBondContact O-CA 3.41Å; E64-A443 HydrophobicContact CB-CB 3.88Å; E64-A443 HydrophobicContact CG-CB 4.07Å; E64-A443 PolarHBondContact O-N 3.04Å; E64-R466 IonicContact OE1-NH2 3.39Å
65D94.1Very high91.6Very high75 Ų7525.7 Ų25.740%0.40113%0.128SC..THydrogen-bonded Turntrans-81.113177.469.6-8000113.8T63 A67 S85 R86T63-D65 VanDerWaalsContact C-N 3.29Å; T63-D65 PolarHBondContact O-N 3.42Å; T63-D65 PolarHBondContact OG1-OD1 3.48Å; D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact O-N 3.13Å; D65-S85 WeakPolarHBondContact OD1-CA 3.33Å; D65-S85 WeakPolarHBondContact OD2-CA 3.17Å; D65-S85 WeakPolarHBondContact OD2-CB 3.16Å; D65-S85 PolarHBondContact OD2-OG 3.48Å; D65-R86 VanDerWaalsContact CG-N 3.34Å; D65-R86 PolarHBondContact OD1-N 2.97Å; D65-R86 WeakPolarHBondContact OD2-CB 3.34Å; D65-R86 PolarHBondContact OD2-N 3.15Å
66G92.4Very high92.3Very high4 Ų423 Ų234%0.04112%0.115CC..  trans72.522.1173.800000114.4T63 E64 G442T63-G66 PolarHBondContact O-N 3.18Å; T63-G66 VanDerWaalsContact O-N 3.1Å; E64-G66 PolarHBondContact O-N 3.15Å; G66-G442 VanDerWaalsContact CA-CA 3.46Å
67A92.2Very high93.1Very high4 Ų415.4 Ų15.43%0.0338%0.079CC..  trans-76128.5167.300000110.7V62 T63 D65 T69 R86V62-A67 WeakPolarHBondContact CA-O 3.27Å; T63-A67 PolarHBondContact N-O 3.3Å; T63-A67 VanDerWaalsContact N-O 3.17Å; T63-A67 WeakPolarHBondContact OG1-CA 3.45Å; T63-A67 WeakPolarHBondContact OG1-CB 3.29Å; T63-A67 PolarHBondContact OG1-N 3.32Å; T63-A67 PolarHBondContact OG1-O 3.19Å; D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact O-N 3.13Å; A67-T69 HydrophobicContact CB-CG2 3.74Å; A67-R86 HydrophobicContact CB-CB 3.68Å; A67-R86 HydrophobicContact CB-CG 3.92Å
68E92.7Very high93.7Very high25 Ų2514 Ų1412%0.1177%0.072CC..EExtended strand (participates in β ladder)trans-78.6123163.4-65.2179.9103.200108.5P49 V60 L441 R468P49-E68 WeakPolarHBondContact CD-O 3.25Å; V60-E68 HydrophobicContact CG1-CB 3.72Å; V60-E68 HydrophobicContact CG1-CG 4.2Å; E68-L441 HydrophobicContact CG-CD1 4.37Å; E68-L441 HydrophobicContact CG-CD2 3.87Å; E68-R468 IonicContact OE1-CZ 3.66Å; E68-R468 IonicContact OE1-NE 2.74Å; E68-R468 PolarHBondContact OE1-NE 3.39Å; E68-R468 IonicContact OE1-NH2 2.83Å; E68-R468 PolarHBondContact OE1-NH2 2.95Å
69T93.2Very high94.1Very high2 Ų214.1 Ų14.11%0.0127%0.072CC..EExtended strand (participates in β ladder)trans-140.5167.6-165.861.20000112.3P49 F61 T63 A67 L73 N89P49-T69 VanDerWaalsContact CG-CA 3.46Å; P49-T69 WeakPolarHBondContact CG-O 3.43Å; F61-T69 PolarHBondContact N-O 2.68Å; F61-T69 PolarHBondContact O-N 3.36Å; F61-T69 PolarHBondContact O-OG1 3.44Å; T63-T69 HydrophobicContact CG2-CG2 4.15Å; A67-T69 HydrophobicContact CB-CG2 3.74Å; T69-L73 HydrophobicContact CG2-CD2 3.75Å; T69-N89 HydrophobicContact CG2-CB 3.87Å
70D91.2Very high94.2Very high10 Ų1013.7 Ų13.75%0.0537%0.071CC..  trans-63.7150.3175.1-179.6-109.9000111.4K40 D42 H57 D72 L73K40-D70 IonicContact NZ-OD1 3.11Å; K40-D70 PolarHBondContact NZ-OD1 3.43Å; D42-D70 WeakPolarHBondContact OD2-CB 3.34Å; H57-D70 IonicContact CE1-OD2 3.91Å; H57-D70 PolarHBondContact CE1-OD2 2.75Å; H57-D70 IonicContact NE2-OD2 3.6Å; H57-D70 PolarHBondContact NE2-OD2 2.48Å; D70-D72 PolarHBondContact O-N 2.87Å; D70-D72 VanDerWaalsContact O-N 3.1Å; D70-D72 VanDerWaalsContact OD1-CB 3.26Å; D70-D72 WeakPolarHBondContact OD1-CB 3.33Å; D70-D72 PolarHBondContact OD1-N 2.86Å; D70-D72 VanDerWaalsContact OD1-N 3.14Å; D70-L73 PolarHBondContact O-N 3.27Å; D70-L73 VanDerWaalsContact O-N 3.14Å
71L90.9Very high94.3Very high19 Ų1918.8 Ų18.810%0.0999%0.089CC..THydrogen-bonded Turntrans-60.8-21.8-176.967.485.4000113.6E59 L73 G74 H75E59-L71 HydrophobicContact CG-CB 3.62Å; L71-L73 PolarHBondContact O-N 3.44Å; L71-G74 PolarHBondContact O-N 3Å; L71-H75 PolarHBondContact O-N 3.45Å
72D91.8Very high94.3Very high27 Ų2720 Ų2014%0.14410%0.096CC..Hα-helixtrans-62.5-27.4178.3-78.4-36.2000112.2K40 D70 G74 H75 Y76K40-D72 HydrophobicContact CD-CB 4.47Å; K40-D72 WeakPolarHBondContact CE-OD2 3.43Å; K40-D72 IonicContact NZ-OD2 3.96Å; K40-D72 PolarHBondContact NZ-OD2 3.14Å; D70-D72 PolarHBondContact O-N 2.87Å; D70-D72 VanDerWaalsContact O-N 3.1Å; D70-D72 VanDerWaalsContact OD1-CB 3.26Å; D70-D72 WeakPolarHBondContact OD1-CB 3.33Å; D70-D72 PolarHBondContact OD1-N 2.86Å; D70-D72 VanDerWaalsContact OD1-N 3.14Å; D72-G74 PolarHBondContact O-N 3.46Å; D72-H75 CarbonylContact O-C 3.46Å; D72-H75 WeakPolarHBondContact O-CA 3.4Å; D72-H75 VanDerWaalsContact O-CB 3.3Å; D72-H75 WeakPolarHBondContact O-CB 3.44Å; D72-H75 PolarHBondContact O-N 3.35Å; D72-H75 IonicContact OD1-CD2 2.87Å; D72-Y76 HydrophobicContact CB-CE1 4.04Å; D72-Y76 HydrophobicContact CB-CE2 4.4Å; D72-Y76 WeakPolarHBondContact O-CD1 3.26Å; D72-Y76 WeakPolarHBondContact O-CE1 3.23Å; D72-Y76 VanDerWaalsContact O-CG 3.22Å; D72-Y76 PolarHBondContact O-N 3.39Å
73L95.4Very high94.3Very high0 Ų024.4 Ų24.40%012%0.115CC..Hα-helixtrans-64.4-33174.9-90.267.8000112.2K40 F61 T63 T69 D70 L71 H75 Y76 E77 M84 N88 N89K40-L73 HydrophobicContact CB-CD1 3.83Å; F61-L73 HydrophobicContact CD1-CB 3.86Å; F61-L73 HydrophobicContact CE1-CB 4.32Å; T63-L73 HydrophobicContact CG2-CD2 3.94Å; T69-L73 HydrophobicContact CG2-CD2 3.75Å; D70-L73 PolarHBondContact O-N 3.27Å; D70-L73 VanDerWaalsContact O-N 3.14Å; L71-L73 PolarHBondContact O-N 3.44Å; L73-H75 VanDerWaalsContact C-N 3.32Å; L73-Y76 HydrophobicContact CB-CD2 4.43Å; L73-Y76 HydrophobicContact CD1-CD2 4.05Å; L73-Y76 HydrophobicContact CD1-CE2 3.71Å; L73-Y76 HydrophobicContact CG-CD2 4.01Å; L73-Y76 HydrophobicContact CG-CE2 4.2Å; L73-Y76 WeakPolarHBondContact O-CB 3.49Å; L73-Y76 PolarHBondContact O-N 2.93Å; L73-E77 PolarHBondContact O-N 3.45Å; L73-M84 HydrophobicContact CB-CB 4.48Å; L73-M84 HydrophobicContact CB-CG 4.37Å; L73-M84 HydrophobicContact CD2-CB 3.91Å; L73-M84 HydrophobicContact CD2-CG 4.42Å; L73-M84 HydrophobicContact CG-CB 4.18Å; L73-M84 HydrophobicContact CG-CG 4.15Å; L73-N88 HydrophobicContact CD2-CB 4.11Å; L73-N89 HydrophobicContact CD1-CB 3.89Å; L73-N89 HydrophobicContact CD2-CB 3.83Å
74G93.5Very high94.3Very high1 Ų124.5 Ų24.51%0.0112%0.116CC..Hα-helixtrans-65.1-37.2170.200000111.9F61 L71 D72 Y76 R78F61-G74 VanDerWaalsContact CD2-CA 3.5Å; L71-G74 PolarHBondContact O-N 3Å; D72-G74 PolarHBondContact O-N 3.46Å; G74-Y76 VanDerWaalsContact C-N 3.3Å; G74-Y76 PolarHBondContact O-N 3.19Å; G74-R78 WeakPolarHBondContact O-CB 3.4Å; G74-R78 VanDerWaalsContact O-CG 3.3Å; G74-R78 WeakPolarHBondContact O-CG 3.42Å; G74-R78 PolarHBondContact O-N 2.83Å; G74-R78 VanDerWaalsContact O-N 3.08Å; G74-R78 PolarHBondContact O-NE 3.42Å; G74-R78 VanDerWaalsContact O-NE 3.16Å; G74-R78 PolarHBondContact O-NH2 3.34Å
75H91.5Very high94.3Very high13 Ų1322 Ų226%0.0611%0.107CC..Hα-helixtrans-63.4-38.4172.4-70.4-51.9000111.7I20 L71 D72 L73 R78 F79I20-H75 HydrophobicContact CD1-CB 4.14Å; L71-H75 PolarHBondContact O-N 3.45Å; D72-H75 CarbonylContact O-C 3.46Å; D72-H75 WeakPolarHBondContact O-CA 3.4Å; D72-H75 VanDerWaalsContact O-CB 3.3Å; D72-H75 WeakPolarHBondContact O-CB 3.44Å; D72-H75 PolarHBondContact O-N 3.35Å; D72-H75 IonicContact OD1-CD2 2.87Å; L73-H75 VanDerWaalsContact C-N 3.32Å; H75-R78 VanDerWaalsContact N-NH2 3.19Å; H75-R78 PolarHBondContact ND1-NH2 3.26Å; H75-R78 PolarHBondContact O-N 2.96Å; H75-F79 VanDerWaalsContact O-CD2 3.3Å; H75-F79 WeakPolarHBondContact O-CD2 3.49Å; H75-F79 PolarHBondContact O-N 3.04Å
76Y96.9Very high94.2Very high0 Ų024.9 Ų24.90%011%0.112CC..Hα-helixtrans-64.1-52178.1-52.1-21000111.1A23 I38 K40 D72 L73 G74 R78 F79 I80 M84 E140A23-Y76 HydrophobicContact CB-CD1 4.2Å; I38-Y76 HydrophobicContact CB-CD1 4.33Å; I38-Y76 HydrophobicContact CB-CD2 3.81Å; I38-Y76 HydrophobicContact CB-CE2 4.2Å; I38-Y76 HydrophobicContact CB-CG 3.89Å; I38-Y76 HydrophobicContact CD1-CD1 3.88Å; I38-Y76 HydrophobicContact CD1-CG 3.93Å; I38-Y76 HydrophobicContact CG1-CG 4.47Å; I38-Y76 HydrophobicContact CG2-CD1 3.89Å; I38-Y76 HydrophobicContact CG2-CD2 3.73Å; I38-Y76 HydrophobicContact CG2-CE1 3.81Å; I38-Y76 HydrophobicContact CG2-CE2 3.64Å; I38-Y76 HydrophobicContact CG2-CG 3.88Å; K40-Y76 HydrophobicContact CB-CE2 4.07Å; K40-Y76 WeakPolarHBondContact CB-OH 3.46Å; K40-Y76 WeakPolarHBondContact CD-OH 3.38Å; D72-Y76 HydrophobicContact CB-CE1 4.04Å; D72-Y76 HydrophobicContact CB-CE2 4.4Å; D72-Y76 WeakPolarHBondContact O-CD1 3.26Å; D72-Y76 WeakPolarHBondContact O-CE1 3.23Å; D72-Y76 VanDerWaalsContact O-CG 3.22Å; D72-Y76 PolarHBondContact O-N 3.39Å; L73-Y76 HydrophobicContact CB-CD2 4.43Å; L73-Y76 HydrophobicContact CD1-CD2 4.05Å; L73-Y76 HydrophobicContact CD1-CE2 3.71Å; L73-Y76 HydrophobicContact CG-CD2 4.01Å; L73-Y76 HydrophobicContact CG-CE2 4.2Å; L73-Y76 WeakPolarHBondContact O-CB 3.49Å; L73-Y76 PolarHBondContact O-N 2.93Å; G74-Y76 VanDerWaalsContact C-N 3.3Å; G74-Y76 PolarHBondContact O-N 3.19Å; Y76-R78 PolarHBondContact O-N 2.77Å; Y76-F79 PolarHBondContact O-N 3.03Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 3.39Å; Y76-M84 HydrophobicContact CD2-SD 4.04Å; Y76-E140 PolarHBondContact OH-OE2 3.45Å
77E97.2Very high94.3Very high11 Ų1129.2 Ų29.25%0.05113%0.127CC..Hα-helixtrans-65.5-24.8-179.7-67.6-160.1158.400114F61 L73 F79 I80 K83 M84 R466F61-E77 HydrophobicContact CZ-CG 4.5Å; F61-E77 WeakPolarHBondContact CZ-OE2 3.49Å; L73-E77 PolarHBondContact O-N 3.45Å; E77-F79 VanDerWaalsContact C-N 3.29Å; E77-I80 CarbonylContact C-O 3.53Å; E77-K83 WeakPolarHBondContact OE1-CA 3.3Å; E77-M84 HydrophobicContact CG-CB 4.15Å; E77-M84 HydrophobicContact CG-CG 3.59Å; E77-M84 PolarHBondContact OE1-N 3.03Å; E77-R466 VanDerWaalsContact CD-NH2 3.33Å; E77-R466 IonicContact OE1-CZ 2.74Å; E77-R466 IonicContact OE1-NH1 3.79Å; E77-R466 IonicContact OE1-NH2 3.8Å; E77-R466 PolarHBondContact OE1-NH2 3.48Å; E77-R466 VanDerWaalsContact OE1-NH2 3.14Å; E77-R466 IonicContact OE2-CZ 2.74Å; E77-R466 IonicContact OE2-NH1 3.41Å; E77-R466 PolarHBondContact OE2-NH1 3.32Å; E77-R466 IonicContact OE2-NH2 3.87Å; E77-R466 PolarHBondContact OE2-NH2 3.13Å
78R96.8Very high94.5Very high9 Ų929.3 Ų29.33%0.03413%0.127CC..Hα-helixtrans-70.3-25.6171.4-77.1-179-74.8-93.36.1112.9G74 H75 Y76 S307 P522G74-R78 WeakPolarHBondContact O-CB 3.4Å; G74-R78 VanDerWaalsContact O-CG 3.3Å; G74-R78 WeakPolarHBondContact O-CG 3.42Å; G74-R78 PolarHBondContact O-N 2.83Å; G74-R78 VanDerWaalsContact O-N 3.08Å; G74-R78 PolarHBondContact O-NE 3.42Å; G74-R78 VanDerWaalsContact O-NE 3.16Å; G74-R78 PolarHBondContact O-NH2 3.34Å; H75-R78 VanDerWaalsContact N-NH2 3.19Å; H75-R78 PolarHBondContact ND1-NH2 3.26Å; H75-R78 PolarHBondContact O-N 2.96Å; Y76-R78 PolarHBondContact O-N 2.77Å; R78-S307 PolarHBondContact NH1-OG 3.2Å; R78-P522 WeakPolarHBondContact O-CD 3.46Å
79F97.2Very high94.7Very high2 Ų228.8 Ų28.81%0.00913%0.125CC..Hα-helixtrans-101.4-28.7-177.2-86.9-97000114.5I20 A23 S24 A27 H75 Y76 E77 I244 P248 W276 R523I20-F79 HydrophobicContact CD1-CE2 4.23Å; I20-F79 HydrophobicContact CG2-CZ 4.43Å; A23-F79 HydrophobicContact CB-CB 3.77Å; A23-F79 HydrophobicContact CB-CD1 4.35Å; A23-F79 HydrophobicContact CB-CD2 3.84Å; A23-F79 HydrophobicContact CB-CG 3.73Å; S24-F79 VanDerWaalsContact OG-CE1 3.3Å; S24-F79 WeakPolarHBondContact OG-CE1 3.46Å; A27-F79 HydrophobicContact CB-CB 4.31Å; A27-F79 HydrophobicContact CB-CD1 4.02Å; A27-F79 WeakPolarHBondContact CB-O 3.2Å; H75-F79 VanDerWaalsContact O-CD2 3.3Å; H75-F79 WeakPolarHBondContact O-CD2 3.49Å; H75-F79 PolarHBondContact O-N 3.04Å; Y76-F79 PolarHBondContact O-N 3.03Å; E77-F79 VanDerWaalsContact C-N 3.29Å; F79-I244 HydrophobicContact CE2-CD1 4.13Å; F79-I244 HydrophobicContact CZ-CB 4.45Å; F79-I244 HydrophobicContact CZ-CD1 4.35Å; F79-I244 HydrophobicContact CZ-CG1 4.33Å; F79-P248 HydrophobicContact CD1-CG 4.31Å; F79-P248 HydrophobicContact CE1-CG 3.91Å; F79-W276 HydrophobicContact CB-CH2 4.35Å; F79-W276 HydrophobicContact CB-CZ2 4.43Å; F79-W276 AromaticContact CD1-CH2 3.62Å; F79-W276 HydrophobicContact CD1-CH2 3.62Å; F79-W276 AromaticContact CD1-CZ2 3.91Å; F79-W276 HydrophobicContact CD1-CZ2 3.91Å; F79-W276 HydrophobicContact CD1-CZ3 4.29Å; F79-W276 HydrophobicContact CE1-CH2 4.05Å; F79-W276 HydrophobicContact CE1-CZ3 4.26Å; F79-W276 AromaticContact CG-CH2 3.96Å; F79-W276 HydrophobicContact CG-CH2 3.96Å; F79-W276 HydrophobicContact CG-CZ2 4.37Å; F79-W276 WeakPolarHBondContact O-CZ2 3.49Å; F79-R523 PolarHBondContact O-NH2 2.81Å
80I96.9Very high94.7Very high2 Ų229 Ų291%0.0113%0.126CC..  trans-126.9153.3178.361.4171.3000111.1A26 E30 I38 Y76 E77 T82 M84A26-I80 HydrophobicContact CB-CG2 3.64Å; E30-I80 HydrophobicContact CB-CG2 4.41Å; I38-I80 HydrophobicContact CD1-CD1 4.01Å; I38-I80 HydrophobicContact CG1-CD1 3.82Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 3.39Å; E77-I80 CarbonylContact C-O 3.53Å; I80-T82 VanDerWaalsContact C-N 3.33Å; I80-M84 HydrophobicContact CD1-CE 3.88Å; I80-M84 HydrophobicContact CG1-CE 4.41Å
81R96.1Very high94.9Very high116 Ų11628.6 Ų28.644%0.43812%0.123SC..SBendtrans-78.3-19.7-180-63.2-167.8173.5-77.90.8112.3E30 K83 E275 D524E30-R81 WeakPolarHBondContact OE1-CB 3.42Å; E30-R81 PolarHBondContact OE1-N 3.06Å; E30-R81 PolarHBondContact OE2-N 3.18Å; R81-K83 PolarHBondContact O-N 3.45Å; R81-E275 IonicContact CZ-OE2 3.67Å; R81-E275 IonicContact NH2-OE2 2.64Å; R81-E275 PolarHBondContact NH2-OE2 3.25Å; R81-D524 IonicContact CZ-OD1 3.63Å; R81-D524 IonicContact CZ-OD2 2.76Å; R81-D524 IonicContact NH1-OD1 2.55Å; R81-D524 PolarHBondContact NH1-OD1 3.06Å; R81-D524 IonicContact NH1-OD2 2.74Å; R81-D524 PolarHBondContact NH1-OD2 3.18Å; R81-D524 IonicContact NH2-OD1 3.66Å; R81-D524 PolarHBondContact NH2-OD1 3.19Å; R81-D524 IonicContact NH2-OD2 3.09Å
82T95.4Very high95.1Very high26 Ų2628.5 Ų28.516%0.1612%0.124CC..SBendtrans-59126.1173.7-55.50000110.8V36 I80 M84V36-T82 WeakPolarHBondContact O-CB 3.48Å; V36-T82 PolarHBondContact O-OG1 3.37Å; I80-T82 VanDerWaalsContact C-N 3.33Å; T82-M84 HydrophobicContact CG2-CE 3.98Å; T82-M84 WeakPolarHBondContact O-CE 3.36Å
83K94.8Very high95.3Very high93 Ų9327.5 Ų27.540%0.40412%0.12SC..PPolyproline II helixtrans-77.8133.9176.1-61.4-58.8-170.5174.90111E64 E77 R81E64-K83 VanDerWaalsContact OE1-CD 3.25Å; E64-K83 WeakPolarHBondContact OE1-CD 3.32Å; E64-K83 WeakPolarHBondContact OE1-CE 3.41Å; E64-K83 WeakPolarHBondContact OE1-CG 3.49Å; E64-K83 IonicContact OE1-NZ 2.99Å; E77-K83 WeakPolarHBondContact OE1-CA 3.3Å; R81-K83 PolarHBondContact O-N 3.45Å
84M95.7Very high95.2Very high2 Ų230.9 Ų30.91%0.0113%0.133CC..PPolyproline II helixtrans-82.1152.1176.2-59-62.5106.500109.6T63 L73 Y76 E77 I80 T82 N88T63-M84 WeakPolarHBondContact CB-O 3.44Å; T63-M84 HydrophobicContact CG2-CB 3.97Å; L73-M84 HydrophobicContact CB-CB 4.48Å; L73-M84 HydrophobicContact CB-CG 4.37Å; L73-M84 HydrophobicContact CD2-CB 3.91Å; L73-M84 HydrophobicContact CD2-CG 4.42Å; L73-M84 HydrophobicContact CG-CB 4.18Å; L73-M84 HydrophobicContact CG-CG 4.15Å; Y76-M84 HydrophobicContact CD2-SD 4.04Å; E77-M84 HydrophobicContact CG-CB 4.15Å; E77-M84 HydrophobicContact CG-CG 3.59Å; E77-M84 PolarHBondContact OE1-N 3.03Å; I80-M84 HydrophobicContact CD1-CE 3.88Å; I80-M84 HydrophobicContact CG1-CE 4.41Å; T82-M84 HydrophobicContact CG2-CE 3.98Å; T82-M84 WeakPolarHBondContact O-CE 3.36Å; M84-N88 HydrophobicContact CB-CB 4.18Å; M84-N88 HydrophobicContact SD-CB 3.89Å
85S94.5Very high95.4Very high22 Ų2230.9 Ų30.915%0.15413%0.132CC..  trans-136.4174.7-177.7131.10000109.8D65 R87 N88D65-S85 WeakPolarHBondContact OD1-CA 3.33Å; D65-S85 WeakPolarHBondContact OD2-CA 3.17Å; D65-S85 WeakPolarHBondContact OD2-CB 3.16Å; D65-S85 PolarHBondContact OD2-OG 3.48Å; S85-R87 PolarHBondContact O-N 3.14Å; S85-R87 PolarHBondContact OG-N 3.39Å; S85-R87 VanDerWaalsContact OG-N 3.15Å; S85-N88 PolarHBondContact N-OD1 2.83Å; S85-N88 WeakPolarHBondContact O-CB 3.4Å; S85-N88 PolarHBondContact O-N 3.28Å; S85-N88 PolarHBondContact O-OD1 3.04Å
86R92.9Very high95.6Very high135 Ų13534.4 Ų34.451%0.50915%0.146SC..G310 helixtrans-48.9-25.2168.4-163.5167.1-78.1177-3114D65 A67 N88 N89D65-R86 VanDerWaalsContact CG-N 3.34Å; D65-R86 PolarHBondContact OD1-N 2.97Å; D65-R86 WeakPolarHBondContact OD2-CB 3.34Å; D65-R86 PolarHBondContact OD2-N 3.15Å; A67-R86 HydrophobicContact CB-CB 3.68Å; A67-R86 HydrophobicContact CB-CG 3.92Å; R86-N88 VanDerWaalsContact C-N 3.3Å; R86-N89 VanDerWaalsContact O-O 3.09Å
87R94.2Very high95.6Very high94 Ų9436.8 Ų36.836%0.35516%0.162SC..G310 helixtrans-73.7-20.7176.5-63.9-174.1-64.9160.90113.3S85 E129S85-R87 PolarHBondContact O-N 3.14Å; S85-R87 PolarHBondContact OG-N 3.39Å; S85-R87 VanDerWaalsContact OG-N 3.15Å; R87-E129 PolarHBondContact NH1-O 3.47Å; R87-E129 VanDerWaalsContact NH1-O 3.09Å
88N96.4Very high95.4Very high7 Ų737.1 Ų37.14%0.03717%0.165CC..G310 helixtrans-87.7-7.3-176.6-58.886.4000113T37 I38 M39 K40 L73 M84 S85 R86T37-N88 PolarHBondContact OG1-ND2 2.85Å; T37-N88 VanDerWaalsContact OG1-ND2 3.17Å; I38-N88 PolarHBondContact O-ND2 2.66Å; M39-N88 CarbonylContact C-O 3.57Å; M39-N88 WeakPolarHBondContact CA-O 3.5Å; M39-N88 HydrophobicContact CB-CB 4.44Å; M39-N88 WeakPolarHBondContact CB-O 3.4Å; K40-N88 PolarHBondContact N-O 3.09Å; L73-N88 HydrophobicContact CD2-CB 4.11Å; M84-N88 HydrophobicContact CB-CB 4.18Å; M84-N88 HydrophobicContact SD-CB 3.89Å; S85-N88 PolarHBondContact N-OD1 2.83Å; S85-N88 WeakPolarHBondContact O-CB 3.4Å; S85-N88 PolarHBondContact O-N 3.28Å; S85-N88 PolarHBondContact O-OD1 3.04Å; R86-N88 VanDerWaalsContact C-N 3.3Å
89N95.6Very high95.4Very high14 Ų1436.9 Ų36.98%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-138.4128.7174-177.4-117.9000111.4K40 D42 T69 L73 R86K40-N89 WeakPolarHBondContact O-CA 3.36Å; K40-N89 PolarHBondContact O-ND2 3.18Å; D42-N89 PolarHBondContact OD2-ND2 3.17Å; T69-N89 HydrophobicContact CG2-CB 3.87Å; L73-N89 HydrophobicContact CD1-CB 3.89Å; L73-N89 HydrophobicContact CD2-CB 3.83Å; R86-N89 VanDerWaalsContact O-O 3.09Å
90F92.8Very high95.4Very high6 Ų641.5 Ų41.53%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-150152.816951.2-89.1000111.3M39 K40 L41 D42 I95 I123 R126 V127M39-F90 HydrophobicContact SD-CE1 4.31Å; K40-F90 PolarHBondContact O-N 2.96Å; L41-F90 HydrophobicContact CD1-CE1 3.85Å; L41-F90 HydrophobicContact CD1-CE2 3.84Å; L41-F90 HydrophobicContact CD1-CZ 3.38Å; L41-F90 HydrophobicContact CD2-CE2 3.7Å; L41-F90 HydrophobicContact CD2-CZ 3.87Å; L41-F90 HydrophobicContact CG-CD2 4.08Å; L41-F90 HydrophobicContact CG-CE1 4.32Å; L41-F90 HydrophobicContact CG-CE2 3.38Å; L41-F90 HydrophobicContact CG-CZ 3.51Å; D42-F90 PolarHBondContact N-O 2.9Å; F90-I95 HydrophobicContact CD2-CD1 4Å; F90-I95 HydrophobicContact CD2-CG1 4.19Å; F90-I95 HydrophobicContact CE2-CD1 4.4Å; F90-I123 HydrophobicContact CE2-CG2 4.42Å; F90-R126 HydrophobicContact CD1-CB 3.97Å; F90-R126 HydrophobicContact CD2-CB 4.28Å; F90-R126 HydrophobicContact CE1-CB 3.63Å; F90-R126 HydrophobicContact CE2-CB 3.92Å; F90-R126 HydrophobicContact CG-CB 4.28Å; F90-R126 HydrophobicContact CZ-CB 3.59Å; F90-V127 HydrophobicContact CZ-CG2 3.79Å
91T95.8Very high95.3Very high1 Ų148.2 Ų48.21%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-115.9159.2-168.374.70000110.6D42 Y44 N46 V47 G93 R94 I95D42-T91 HydrophobicContact CB-CG2 4.25Å; D42-T91 CarbonylContact O-C 3.59Å; D42-T91 WeakPolarHBondContact O-CA 3.31Å; Y44-T91 HydrophobicContact CD2-CG2 4.09Å; Y44-T91 HydrophobicContact CE2-CG2 3.34Å; N46-T91 VanDerWaalsContact O-CB 3.26Å; N46-T91 WeakPolarHBondContact O-CB 3.32Å; N46-T91 PolarHBondContact O-OG1 3.13Å; V47-T91 PolarHBondContact O-OG1 2.93Å; T91-G93 PolarHBondContact O-N 2.86Å; T91-G93 PolarHBondContact OG1-N 3.48Å; T91-R94 PolarHBondContact O-N 3.37Å; T91-R94 PolarHBondContact OG1-N 2.82Å; T91-I95 WeakPolarHBondContact O-CG1 3.46Å; T91-I95 PolarHBondContact O-N 2.96Å
92T96.3Very high95.2Very high17 Ų1745.7 Ų45.710%0.10421%0.206CC..Hα-helixtrans-52.8-42.5168-64.70000110.5D42 P43 Y44 R94 I95 Y96D42-T92 PolarHBondContact O-N 3.37Å; P43-T92 VanDerWaalsContact C-OG1 3.31Å; P43-T92 WeakPolarHBondContact CA-OG1 3.2Å; P43-T92 VanDerWaalsContact O-CB 3.3Å; P43-T92 WeakPolarHBondContact O-CB 3.16Å; P43-T92 PolarHBondContact O-OG1 3.32Å; Y44-T92 WeakPolarHBondContact O-CB 3.38Å; Y44-T92 PolarHBondContact O-N 3.32Å; T92-R94 PolarHBondContact O-N 3.02Å; T92-I95 PolarHBondContact O-N 2.85Å; T92-Y96 HydrophobicContact CG2-CD2 3.54Å; T92-Y96 HydrophobicContact CG2-CE2 3.53Å; T92-Y96 WeakPolarHBondContact O-CB 3.47Å; T92-Y96 VanDerWaalsContact O-CD2 3.25Å; T92-Y96 WeakPolarHBondContact O-CD2 3.38Å; T92-Y96 PolarHBondContact O-N 2.98Å
93G95.2Very high95.3Very high6 Ų647 Ų476%0.06221%0.21CC..Hα-helixtrans-52.1-51.9174.900000114.2Y44 I45 T91 S97Y44-G93 PolarHBondContact O-N 2.98Å; Y44-G93 VanDerWaalsContact O-N 3.08Å; I45-G93 WeakPolarHBondContact O-CA 3.41Å; T91-G93 PolarHBondContact O-N 2.86Å; T91-G93 PolarHBondContact OG1-N 3.48Å; G93-S97 WeakPolarHBondContact O-CB 2.99Å; G93-S97 PolarHBondContact O-N 2.83Å
94R94.3Very high95.2Very high72 Ų7252 Ų5227%0.27223%0.227SC..Hα-helixtrans-61.2-48.8178.1-177.777.875.8-160.2-4.5111V47 D48 T91 T92 Y96 S97 D98V47-R94 PolarHBondContact O-NH2 3.21Å; D48-R94 IonicContact OD2-NH2 3.99Å; T91-R94 PolarHBondContact O-N 3.37Å; T91-R94 PolarHBondContact OG1-N 2.82Å; T92-R94 PolarHBondContact O-N 3.02Å; R94-Y96 PolarHBondContact O-N 2.82Å; R94-S97 PolarHBondContact O-N 3.39Å; R94-D98 VanDerWaalsContact O-CG 3.26Å; R94-D98 PolarHBondContact O-N 3.16Å
95I96.2Very high95.1Very high1 Ų160.4 Ų60.41%0.00526%0.258CS..Hα-helixtrans-58.2-51-179.1-67-66.6000110.9F90 T91 T92 S97 D98 V99 I119 A122 I123 R126F90-I95 HydrophobicContact CD2-CD1 4Å; F90-I95 HydrophobicContact CD2-CG1 4.19Å; F90-I95 HydrophobicContact CE2-CD1 4.4Å; T91-I95 WeakPolarHBondContact O-CG1 3.46Å; T91-I95 PolarHBondContact O-N 2.96Å; T92-I95 PolarHBondContact O-N 2.85Å; I95-S97 PolarHBondContact O-N 3.17Å; I95-D98 PolarHBondContact O-N 3.12Å; I95-V99 WeakPolarHBondContact O-CG2 3.26Å; I95-V99 PolarHBondContact O-N 3Å; I95-I119 HydrophobicContact CG2-CD1 4.26Å; I95-I119 HydrophobicContact CG2-CG2 3.87Å; I95-A122 HydrophobicContact CD1-CB 4.45Å; I95-A122 HydrophobicContact CG2-CB 4.11Å; I95-I123 HydrophobicContact CD1-CG1 4.08Å; I95-I123 HydrophobicContact CG1-CG1 4.08Å; I95-I123 HydrophobicContact CG2-CG1 4.08Å; I95-R126 HydrophobicContact CD1-CG 4.22Å
96Y96.6Very high95Very high86 Ų8661.2 Ų61.234%0.33727%0.27SS..Hα-helixtrans-64.7-41.9-179.5-85.5-108.8000111.3T92 R94 D98 V99 L100 I119T92-Y96 HydrophobicContact CG2-CD2 3.54Å; T92-Y96 HydrophobicContact CG2-CE2 3.53Å; T92-Y96 WeakPolarHBondContact O-CB 3.47Å; T92-Y96 VanDerWaalsContact O-CD2 3.25Å; T92-Y96 WeakPolarHBondContact O-CD2 3.38Å; T92-Y96 PolarHBondContact O-N 2.98Å; R94-Y96 PolarHBondContact O-N 2.82Å; Y96-D98 PolarHBondContact O-N 2.83Å; Y96-V99 PolarHBondContact O-N 3.28Å; Y96-L100 VanDerWaalsContact O-CB 3.31Å; Y96-L100 WeakPolarHBondContact O-CB 3.3Å; Y96-L100 WeakPolarHBondContact O-CG 3.24Å; Y96-L100 PolarHBondContact O-N 2.99Å; Y96-I119 HydrophobicContact CD1-CD1 3.97Å; Y96-I119 HydrophobicContact CD2-CD1 3.88Å; Y96-I119 HydrophobicContact CD2-CG2 4.43Å; Y96-I119 HydrophobicContact CE1-CD1 4.02Å; Y96-I119 HydrophobicContact CE1-CG1 4.39Å; Y96-I119 HydrophobicContact CE2-CD1 3.93Å; Y96-I119 HydrophobicContact CE2-CG1 4.32Å; Y96-I119 HydrophobicContact CE2-CG2 3.81Å; Y96-I119 HydrophobicContact CG-CD1 3.91Å
97S95.8Very high95Very high50 Ų5057.9 Ų57.935%0.3526%0.262SS..Hα-helixtrans-58.3-46175.9-176.30000112G93 R94 I95 L100 R101G93-S97 WeakPolarHBondContact O-CB 2.99Å; G93-S97 PolarHBondContact O-N 2.83Å; R94-S97 PolarHBondContact O-N 3.39Å; I95-S97 PolarHBondContact O-N 3.17Å; S97-L100 PolarHBondContact O-N 2.86Å; S97-R101 WeakPolarHBondContact O-CB 3.25Å; S97-R101 PolarHBondContact O-N 3.5Å
98D94.5Very high95Very high19 Ų1955.8 Ų55.810%0.10226%0.255CS..Hα-helixtrans-67.4-42.4179.5-67.7-30.8000112.4R94 I95 Y96 R101 K102 R126R94-D98 VanDerWaalsContact O-CG 3.26Å; R94-D98 PolarHBondContact O-N 3.16Å; I95-D98 PolarHBondContact O-N 3.12Å; Y96-D98 PolarHBondContact O-N 2.83Å; D98-R101 PolarHBondContact O-N 2.99Å; D98-R101 IonicContact OD1-CZ 2.74Å; D98-R101 VanDerWaalsContact OD1-CZ 3.29Å; D98-R101 IonicContact OD1-NH1 3.39Å; D98-R101 PolarHBondContact OD1-NH1 3.14Å; D98-R101 VanDerWaalsContact OD1-NH1 3.11Å; D98-R101 IonicContact OD1-NH2 3.45Å; D98-R101 PolarHBondContact OD1-NH2 2.93Å; D98-K102 WeakPolarHBondContact O-CG 3.09Å; D98-K102 PolarHBondContact O-N 2.92Å; D98-R126 IonicContact OD2-CZ 3.69Å; D98-R126 IonicContact OD2-NE 2.81Å; D98-R126 IonicContact OD2-NH2 3.74Å; D98-R126 PolarHBondContact OD2-NH2 3.14Å
99V96.9Very high94.8Very high4 Ų463.2 Ų63.22%0.02429%0.293CS..Hα-helixtrans-64.1-43.8176.7168.70000110.8I95 Y96 R101 K102 E103 Y108 V113 H118 I119 A122I95-V99 WeakPolarHBondContact O-CG2 3.26Å; I95-V99 PolarHBondContact O-N 3Å; Y96-V99 PolarHBondContact O-N 3.28Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 2.88Å; V99-K102 PolarHBondContact O-N 2.92Å; V99-E103 WeakPolarHBondContact O-CB 3.37Å; V99-E103 PolarHBondContact O-N 2.9Å; V99-Y108 HydrophobicContact CG1-CE2 4.22Å; V99-Y108 WeakPolarHBondContact O-CE2 3.31Å; V99-V113 HydrophobicContact CG1-CG1 3.69Å; V99-H118 HydrophobicContact CG1-CB 4.33Å; V99-I119 HydrophobicContact CB-CD1 3.9Å; V99-I119 HydrophobicContact CG1-CD1 3.91Å; V99-I119 HydrophobicContact CG2-CD1 3.95Å; V99-A122 HydrophobicContact CG2-CB 3.63Å
100L96.4Very high94.5Very high99 Ų9966.5 Ų66.552%0.51833%0.331SS..Hα-helixtrans-64.2-37.3175.8-71.5170.8000112Y96 S97 E103 R104Y96-L100 VanDerWaalsContact O-CB 3.31Å; Y96-L100 WeakPolarHBondContact O-CB 3.3Å; Y96-L100 WeakPolarHBondContact O-CG 3.24Å; Y96-L100 PolarHBondContact O-N 2.99Å; S97-L100 PolarHBondContact O-N 2.86Å; L100-E103 PolarHBondContact O-N 3.19Å; L100-R104 WeakPolarHBondContact O-CG 3.4Å; L100-R104 PolarHBondContact O-N 2.85Å
101R95Very high94.4Very high142 Ų14269 Ų6954%0.53635%0.352SS..Hα-helixtrans-65.7-44.6175.2-172.4172.766-118.5-5.5112.1S97 D98 V99 E103 R104 R105S97-R101 WeakPolarHBondContact O-CB 3.25Å; S97-R101 PolarHBondContact O-N 3.5Å; D98-R101 PolarHBondContact O-N 2.99Å; D98-R101 IonicContact OD1-CZ 2.74Å; D98-R101 VanDerWaalsContact OD1-CZ 3.29Å; D98-R101 IonicContact OD1-NH1 3.39Å; D98-R101 PolarHBondContact OD1-NH1 3.14Å; D98-R101 VanDerWaalsContact OD1-NH1 3.11Å; D98-R101 IonicContact OD1-NH2 3.45Å; D98-R101 PolarHBondContact OD1-NH2 2.93Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 2.88Å; R101-E103 VanDerWaalsContact C-N 3.29Å; R101-E103 PolarHBondContact O-N 3.26Å; R101-R104 PolarHBondContact O-N 3.35Å; R101-R105 WeakPolarHBondContact O-CB 3.41Å; R101-R105 PolarHBondContact O-N 2.91Å
102K94.8Very high94.3Very high63 Ų6374.2 Ų74.227%0.27439%0.385SS..Hα-helixtrans-58.7-41.7173.4-75-176.8177.11790110.7D98 V99 R105 G106 D107 Y108 E125D98-K102 WeakPolarHBondContact O-CG 3.09Å; D98-K102 PolarHBondContact O-N 2.92Å; V99-K102 PolarHBondContact O-N 2.92Å; K102-R105 PolarHBondContact O-N 2.83Å; K102-G106 PolarHBondContact O-N 3.31Å; K102-D107 HydrophobicContact CB-CB 4.02Å; K102-D107 WeakPolarHBondContact CG-OD2 3.11Å; K102-D107 WeakPolarHBondContact O-CB 3.11Å; K102-D107 PolarHBondContact O-N 3.2Å; K102-Y108 HydrophobicContact CB-CE2 3.72Å; K102-E125 IonicContact NZ-OE2 2.62Å; K102-E125 PolarHBondContact NZ-OE2 2.86Å
103E96.3Very high94.3Very high55 Ų5575.7 Ų75.726%0.25739%0.393SS..Hα-helixtrans-63.2-50.3177-176.7-9115700112.5V99 L100 R101 R105 G106 Y108 V113V99-E103 WeakPolarHBondContact O-CB 3.37Å; V99-E103 PolarHBondContact O-N 2.9Å; L100-E103 PolarHBondContact O-N 3.19Å; R101-E103 VanDerWaalsContact C-N 3.29Å; R101-E103 PolarHBondContact O-N 3.26Å; E103-R105 PolarHBondContact O-N 2.92Å; E103-G106 PolarHBondContact O-N 3.03Å; E103-Y108 HydrophobicContact CB-CD2 3.73Å; E103-Y108 HydrophobicContact CB-CE2 3.86Å; E103-Y108 HydrophobicContact CG-CD2 4.33Å; E103-V113 HydrophobicContact CB-CG2 4.03Å; E103-V113 HydrophobicContact CG-CB 4.41Å; E103-V113 HydrophobicContact CG-CG2 3.6Å
104R93.7Very high94.3Very high198 Ų19880.9 Ų80.975%0.74742%0.416SS*.Hα-helixtrans-63.1-29.3178.4-69.1-67.1128-176.2-7.1113.3L100 R101 G106L100-R104 WeakPolarHBondContact O-CG 3.4Å; L100-R104 PolarHBondContact O-N 2.85Å; R101-R104 PolarHBondContact O-N 3.35Å; R104-G106 VanDerWaalsContact C-N 3.29Å
105R93.2Very high94.4Very high177 Ų17780.6 Ų80.667%0.66842%0.422SS*.Hα-helixtrans-76.5-15.3174.9-171.8169.666.2-174.81.1113.2R101 K102 E103 D107R101-R105 WeakPolarHBondContact O-CB 3.41Å; R101-R105 PolarHBondContact O-N 2.91Å; K102-R105 PolarHBondContact O-N 2.83Å; E103-R105 PolarHBondContact O-N 2.92Å; R105-D107 WeakPolarHBondContact CB-OD1 3.24Å; R105-D107 WeakPolarHBondContact CG-OD1 3.41Å; R105-D107 IonicContact CZ-OD1 3.29Å; R105-D107 IonicContact CZ-OD2 3.54Å; R105-D107 IonicContact NE-OD1 3.11Å; R105-D107 PolarHBondContact NE-OD1 3.38Å; R105-D107 IonicContact NE-OD2 3.94Å; R105-D107 PolarHBondContact NE-OD2 3.14Å; R105-D107 IonicContact NH2-OD1 2.7Å; R105-D107 IonicContact NH2-OD2 3.16Å; R105-D107 PolarHBondContact NH2-OD2 2.97Å
106G92.5Very high94.5Very high39 Ų3984.8 Ų84.840%0.40244%0.443SS..THydrogen-bonded Turntrans92.911.7179.600000114.7K102 E103 R104 Y108 L109K102-G106 PolarHBondContact O-N 3.31Å; E103-G106 PolarHBondContact O-N 3.03Å; R104-G106 VanDerWaalsContact C-N 3.29Å; G106-Y108 PolarHBondContact O-N 3.4Å; G106-Y108 VanDerWaalsContact O-N 3.16Å; G106-L109 PolarHBondContact O-N 2.99Å
107D93.7Very high94.5Very high65 Ų6583.2 Ų83.235%0.34844%0.444SS..THydrogen-bonded Turntrans-62.4-25.6-174.9-65.619.4000113.1K102 R105 L109K102-D107 HydrophobicContact CB-CB 4.02Å; K102-D107 WeakPolarHBondContact CG-OD2 3.11Å; K102-D107 WeakPolarHBondContact O-CB 3.11Å; K102-D107 PolarHBondContact O-N 3.2Å; R105-D107 WeakPolarHBondContact CB-OD1 3.24Å; R105-D107 WeakPolarHBondContact CG-OD1 3.41Å; R105-D107 IonicContact CZ-OD1 3.29Å; R105-D107 IonicContact CZ-OD2 3.54Å; R105-D107 IonicContact NE-OD1 3.11Å; R105-D107 PolarHBondContact NE-OD1 3.38Å; R105-D107 IonicContact NE-OD2 3.94Å; R105-D107 PolarHBondContact NE-OD2 3.14Å; R105-D107 IonicContact NH2-OD1 2.7Å; R105-D107 IonicContact NH2-OD2 3.16Å; R105-D107 PolarHBondContact NH2-OD2 2.97Å; D107-L109 VanDerWaalsContact C-N 3.31Å
108Y94Very high94.6Very high51 Ų5182.2 Ų82.220%0.243%0.434CS..THydrogen-bonded Turntrans-89.811.7177.6-55-62.5000113.8V99 K102 E103 G106 G110 A111 V113 H118V99-Y108 HydrophobicContact CG1-CE2 4.22Å; V99-Y108 WeakPolarHBondContact O-CE2 3.31Å; K102-Y108 HydrophobicContact CB-CE2 3.72Å; E103-Y108 HydrophobicContact CB-CD2 3.73Å; E103-Y108 HydrophobicContact CB-CE2 3.86Å; E103-Y108 HydrophobicContact CG-CD2 4.33Å; G106-Y108 PolarHBondContact O-N 3.4Å; G106-Y108 VanDerWaalsContact O-N 3.16Å; Y108-G110 PolarHBondContact O-N 3.47Å; Y108-G110 VanDerWaalsContact O-N 3.09Å; Y108-A111 WeakPolarHBondContact O-CB 3.33Å; Y108-A111 PolarHBondContact O-N 3.02Å; Y108-V113 HydrophobicContact CD2-CG2 3.37Å; Y108-V113 HydrophobicContact CE2-CG1 4.35Å; Y108-V113 HydrophobicContact CE2-CG2 3.96Å; Y108-V113 HydrophobicContact CG-CG2 3.89Å; Y108-H118 AromaticContact CD1-CD2 3.69Å; Y108-H118 AromaticContact CE1-CD2 3.79Å
109L92.3Very high94.7Very high162 Ų16281.7 Ų81.785%0.84843%0.431SS*.THydrogen-bonded Turntrans53.136170.1-53.8178.6000114.6G106 D107 A111G106-L109 PolarHBondContact O-N 2.99Å; D107-L109 VanDerWaalsContact C-N 3.31Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 2.91Å
110G87.6Confident94.8Very high83 Ų8381.5 Ų81.586%0.85643%0.43SS*.THydrogen-bonded Turntrans78.26.7-179.900000115.3Y108Y108-G110 PolarHBondContact O-N 3.47Å; Y108-G110 VanDerWaalsContact O-N 3.09Å
111A91.8Very high94.8Very high58 Ų5880.2 Ų80.248%0.47942%0.423SS..  trans-67.5155.5173.600000112.2Y108 L109 V113Y108-A111 WeakPolarHBondContact O-CB 3.33Å; Y108-A111 PolarHBondContact O-N 3.02Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 2.91Å; A111-V113 PolarHBondContact O-N 3.42Å
112T93.9Very high94.9Very high112 Ų11274 Ų7469%0.68740%0.403SS*.  trans-70.7113.2171-53.70000109.9Q114 H118T112-Q114 HydrophobicContact CG2-CG 4.15Å; T112-H118 PolarHBondContact O-CE1 3.02Å
113V95.2Very high95.1Very high47 Ų4771.1 Ų71.129%0.28539%0.39SS..  trans-75.7129.8175.6-176.20000110.1V99 E103 Y108 A111 H118V99-V113 HydrophobicContact CG1-CG1 3.69Å; E103-V113 HydrophobicContact CB-CG2 4.03Å; E103-V113 HydrophobicContact CG-CB 4.41Å; E103-V113 HydrophobicContact CG-CG2 3.6Å; Y108-V113 HydrophobicContact CD2-CG2 3.37Å; Y108-V113 HydrophobicContact CE2-CG1 4.35Å; Y108-V113 HydrophobicContact CE2-CG2 3.96Å; Y108-V113 HydrophobicContact CG-CG2 3.89Å; A111-V113 PolarHBondContact O-N 3.42Å; V113-H118 HydrophobicContact CG1-CB 3.87Å
114Q96.1Very high95.2Very high115 Ų11569.2 Ų69.254%0.53738%0.381SS..  trans-138.3159.1-171.6-64.5-177.3-78.500110.7T112 I116 H118T112-Q114 HydrophobicContact CG2-CG 4.15Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 VanDerWaalsContact CB-O 3.25Å; Q114-I116 WeakPolarHBondContact CB-O 3.41Å; Q114-I116 PolarHBondContact O-N 2.99Å; Q114-H118 PolarHBondContact N-ND1 2.86Å; Q114-H118 VanDerWaalsContact O-CB 3.26Å; Q114-H118 WeakPolarHBondContact O-CB 3.5Å; Q114-H118 PolarHBondContact O-N 2.93Å; Q114-H118 PolarHBondContact O-ND1 2.79Å; Q114-H118 VanDerWaalsContact O-ND1 3.14Å
115V96.8Very high95.3Very high67 Ų6765 Ų6541%0.40637%0.37SS..Iπ-helixtrans-56.9-45.5174.4178.80000111.3I119 T120 P152V115-I119 HydrophobicContact CG1-CB 4.25Å; V115-I119 WeakPolarHBondContact O-CB 3.46Å; V115-I119 PolarHBondContact O-N 2.89Å; V115-I119 VanDerWaalsContact O-N 3.11Å; V115-T120 PolarHBondContact O-N 3.32Å; V115-T120 VanDerWaalsContact O-N 3.08Å; V115-T120 PolarHBondContact O-OG1 2.83Å; V115-P152 HydrophobicContact CG1-CB 4.42Å; V115-P152 HydrophobicContact CG1-CG 4.39Å
116I97.2Very high95.5Very high88 Ų8859.6 Ų59.645%0.45135%0.349SS..Iπ-helixtrans-110.3122.3169.9-53.1175.4000107.4Q114 T120 E155Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 VanDerWaalsContact CB-O 3.25Å; Q114-I116 WeakPolarHBondContact CB-O 3.41Å; Q114-I116 PolarHBondContact O-N 2.99Å; I116-T120 HydrophobicContact CG1-CG2 4.15Å; I116-E155 HydrophobicContact CD1-CG 3.78Å; I116-E155 HydrophobicContact CG1-CG 4.22Å
117P96.3Very high95.7Very high54 Ų5457.7 Ų57.735%0.35133%0.33SS..Iπ-helixcis-95.9-7.95.837.9-37.6000114.7T120 N121P117-T120 WeakPolarHBondContact CA-OG1 3.24Å; P117-T120 PolarHBondContact O-N 3.34Å; P117-T120 PolarHBondContact O-OG1 3.36Å; P117-T120 VanDerWaalsContact O-OG1 3.11Å; P117-N121 WeakPolarHBondContact O-CA 3.17Å; P117-N121 WeakPolarHBondContact O-CB 3.48Å; P117-N121 PolarHBondContact O-N 2.94Å; P117-N121 PolarHBondContact O-ND2 2.88Å; P117-N121 PolarHBondContact O-OD1 2.82Å
118H97.6Very high95.9Very high28 Ų2858.1 Ų58.113%0.1333%0.332CS..Iπ-helixtrans-69.1-46.4-161.6-47.775.8000113.9V99 Y108 T112 V113 Q114 A122V99-H118 HydrophobicContact CG1-CB 4.33Å; Y108-H118 AromaticContact CD1-CD2 3.69Å; Y108-H118 AromaticContact CE1-CD2 3.79Å; T112-H118 PolarHBondContact O-CE1 3.02Å; V113-H118 HydrophobicContact CG1-CB 3.87Å; Q114-H118 PolarHBondContact N-ND1 2.86Å; Q114-H118 VanDerWaalsContact O-CB 3.26Å; Q114-H118 WeakPolarHBondContact O-CB 3.5Å; Q114-H118 PolarHBondContact O-N 2.93Å; Q114-H118 PolarHBondContact O-ND1 2.79Å; Q114-H118 VanDerWaalsContact O-ND1 3.14Å; H118-A122 WeakPolarHBondContact O-CB 3.38Å; H118-A122 PolarHBondContact O-N 2.87Å; H118-A122 VanDerWaalsContact O-N 3.09Å
119I97.8Very high95.9Very high8 Ų860 Ų604%0.04134%0.342CS..Iπ-helixtrans-69.2-46.2176.9-62.4-69.6000110I95 Y96 V99 V115 N121 A122 I123 P152I95-I119 HydrophobicContact CG2-CD1 4.26Å; I95-I119 HydrophobicContact CG2-CG2 3.87Å; Y96-I119 HydrophobicContact CD1-CD1 3.97Å; Y96-I119 HydrophobicContact CD2-CD1 3.88Å; Y96-I119 HydrophobicContact CD2-CG2 4.43Å; Y96-I119 HydrophobicContact CE1-CD1 4.02Å; Y96-I119 HydrophobicContact CE1-CG1 4.39Å; Y96-I119 HydrophobicContact CE2-CD1 3.93Å; Y96-I119 HydrophobicContact CE2-CG1 4.32Å; Y96-I119 HydrophobicContact CE2-CG2 3.81Å; Y96-I119 HydrophobicContact CG-CD1 3.91Å; V99-I119 HydrophobicContact CB-CD1 3.9Å; V99-I119 HydrophobicContact CG1-CD1 3.91Å; V99-I119 HydrophobicContact CG2-CD1 3.95Å; V115-I119 HydrophobicContact CG1-CB 4.25Å; V115-I119 WeakPolarHBondContact O-CB 3.46Å; V115-I119 PolarHBondContact O-N 2.89Å; V115-I119 VanDerWaalsContact O-N 3.11Å; I119-N121 PolarHBondContact O-N 3.41Å; I119-A122 PolarHBondContact O-N 3.07Å; I119-I123 HydrophobicContact CG2-CD1 3.9Å; I119-I123 WeakPolarHBondContact O-CG1 3.19Å; I119-I123 PolarHBondContact O-N 3.2Å; I119-P152 HydrophobicContact CG2-CB 4.05Å
120T98Very high96Very high0 Ų052.3 Ų52.30%030%0.303CS..Hα-helixtrans-62-40.8178.443.50000112.3V115 I116 P117 I123 K124 E155 A156V115-T120 PolarHBondContact O-N 3.32Å; V115-T120 VanDerWaalsContact O-N 3.08Å; V115-T120 PolarHBondContact O-OG1 2.83Å; I116-T120 HydrophobicContact CG1-CG2 4.15Å; P117-T120 WeakPolarHBondContact CA-OG1 3.24Å; P117-T120 PolarHBondContact O-N 3.34Å; P117-T120 PolarHBondContact O-OG1 3.36Å; P117-T120 VanDerWaalsContact O-OG1 3.11Å; T120-I123 WeakPolarHBondContact O-CB 3.36Å; T120-I123 PolarHBondContact O-N 3.27Å; T120-K124 WeakPolarHBondContact O-CG 3.43Å; T120-K124 PolarHBondContact O-N 3.46Å; T120-E155 HydrophobicContact CG2-CB 4.12Å; T120-E155 HydrophobicContact CG2-CG 3.76Å; T120-A156 HydrophobicContact CG2-CB 4.36Å
121N97.7Very high96.3Very high73 Ų7348.4 Ų48.439%0.3926%0.262SS..Hα-helixtrans-62.8-42.3173.1-76.1-7.6000112.2P117 I119 I123 K124 E125P117-N121 WeakPolarHBondContact O-CA 3.17Å; P117-N121 WeakPolarHBondContact O-CB 3.48Å; P117-N121 PolarHBondContact O-N 2.94Å; P117-N121 PolarHBondContact O-ND2 2.88Å; P117-N121 PolarHBondContact O-OD1 2.82Å; I119-N121 PolarHBondContact O-N 3.41Å; N121-I123 VanDerWaalsContact C-N 3.28Å; N121-I123 PolarHBondContact O-N 2.92Å; N121-K124 PolarHBondContact O-N 2.82Å; N121-K124 VanDerWaalsContact OD1-CE 3.25Å; N121-K124 WeakPolarHBondContact OD1-CE 3.44Å; N121-K124 PolarHBondContact OD1-NZ 2.96Å; N121-E125 WeakPolarHBondContact O-CB 3.24Å; N121-E125 PolarHBondContact O-N 2.87Å
122A97.5Very high96.3Very high12 Ų1252.1 Ų52.110%0.09927%0.27CS..Hα-helixtrans-63-36.6176.200000112I95 V99 H118 I119 R126I95-A122 HydrophobicContact CD1-CB 4.45Å; I95-A122 HydrophobicContact CG2-CB 4.11Å; V99-A122 HydrophobicContact CG2-CB 3.63Å; H118-A122 WeakPolarHBondContact O-CB 3.38Å; H118-A122 PolarHBondContact O-N 2.87Å; H118-A122 VanDerWaalsContact O-N 3.09Å; I119-A122 PolarHBondContact O-N 3.07Å; A122-R126 WeakPolarHBondContact O-CG 3.34Å; A122-R126 PolarHBondContact O-N 3.24Å
123I98Very high96.3Very high1 Ų149.6 Ų49.61%0.00527%0.266CS..Hα-helixtrans-64.7-50.8172.7-66.3157.3000110.3L41 F90 I95 I119 T120 N121 E125 R126 V127 P152 F153 A156L41-I123 HydrophobicContact CD2-CG2 3.96Å; F90-I123 HydrophobicContact CE2-CG2 4.42Å; I95-I123 HydrophobicContact CD1-CG1 4.08Å; I95-I123 HydrophobicContact CG1-CG1 4.08Å; I95-I123 HydrophobicContact CG2-CG1 4.08Å; I119-I123 HydrophobicContact CG2-CD1 3.9Å; I119-I123 WeakPolarHBondContact O-CG1 3.19Å; I119-I123 PolarHBondContact O-N 3.2Å; T120-I123 WeakPolarHBondContact O-CB 3.36Å; T120-I123 PolarHBondContact O-N 3.27Å; N121-I123 VanDerWaalsContact C-N 3.28Å; N121-I123 PolarHBondContact O-N 2.92Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.06Å; I123-R126 PolarHBondContact O-N 2.97Å; I123-V127 HydrophobicContact CG2-CG2 4.33Å; I123-V127 WeakPolarHBondContact O-CG2 3.26Å; I123-V127 PolarHBondContact O-N 3.34Å; I123-P152 HydrophobicContact CD1-CB 3.82Å; I123-F153 HydrophobicContact CD1-CD1 3.58Å; I123-F153 HydrophobicContact CD1-CE1 3.98Å; I123-F153 HydrophobicContact CG1-CD1 3.88Å; I123-F153 HydrophobicContact CG1-CE1 3.98Å; I123-F153 HydrophobicContact CG2-CD1 3.94Å; I123-A156 HydrophobicContact CB-CB 3.76Å; I123-A156 HydrophobicContact CD1-CB 4.33Å; I123-A156 HydrophobicContact CG2-CB 3.45Å; I123-A156 VanDerWaalsContact CG2-CB 3.45Å
124K97.9Very high96.4Very high16 Ų1648.7 Ų48.77%0.0726%0.258CS..Hα-helixtrans-56.9-44.9178.9-68.2-169.3-60.3-169.70112T120 N121 R126 V127 L128 A156 Q159 M160 E163T120-K124 WeakPolarHBondContact O-CG 3.43Å; T120-K124 PolarHBondContact O-N 3.46Å; N121-K124 PolarHBondContact O-N 2.82Å; N121-K124 VanDerWaalsContact OD1-CE 3.25Å; N121-K124 WeakPolarHBondContact OD1-CE 3.44Å; N121-K124 PolarHBondContact OD1-NZ 2.96Å; K124-R126 VanDerWaalsContact C-N 3.31Å; K124-R126 PolarHBondContact O-N 3.44Å; K124-V127 PolarHBondContact O-N 3.28Å; K124-L128 WeakPolarHBondContact O-CB 3.11Å; K124-L128 VanDerWaalsContact O-CG 3.26Å; K124-L128 WeakPolarHBondContact O-CG 3.3Å; K124-L128 PolarHBondContact O-N 3.33Å; K124-A156 HydrophobicContact CG-CB 4.08Å; K124-Q159 HydrophobicContact CD-CB 3.95Å; K124-M160 HydrophobicContact CB-CG 4.21Å; K124-M160 HydrophobicContact CB-SD 4.31Å; K124-M160 HydrophobicContact CD-CG 3.74Å; K124-M160 HydrophobicContact CG-CG 3.6Å; K124-M160 HydrophobicContact CG-SD 4.08Å; K124-E163 IonicContact NZ-OE1 3.59Å; K124-E163 PolarHBondContact NZ-OE1 3.14Å; K124-E163 IonicContact NZ-OE2 3.91Å; K124-E163 PolarHBondContact NZ-OE2 3.34Å
125E96.9Very high96.4Very high109 Ų10944.2 Ų44.251%0.50924%0.238SC..Hα-helixtrans-54.4-47.9177.5-172.6177.6-166.700110.7K102 N121 I123 L128 E129K102-E125 IonicContact NZ-OE2 2.62Å; K102-E125 PolarHBondContact NZ-OE2 2.86Å; N121-E125 WeakPolarHBondContact O-CB 3.24Å; N121-E125 PolarHBondContact O-N 2.87Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.06Å; E125-L128 PolarHBondContact O-N 2.84Å; E125-E129 WeakPolarHBondContact O-CB 3.41Å; E125-E129 PolarHBondContact O-N 3.2Å
126R96.3Very high96.5Very high63 Ų6341 Ų4124%0.23822%0.219CC..Hα-helixtrans-67.9-40.2178.2-68.9-160.9176.5-78.10.3114F90 I95 D98 A122 I123 K124 L128 E129 G130F90-R126 HydrophobicContact CD1-CB 3.97Å; F90-R126 HydrophobicContact CD2-CB 4.28Å; F90-R126 HydrophobicContact CE1-CB 3.63Å; F90-R126 HydrophobicContact CE2-CB 3.92Å; F90-R126 HydrophobicContact CG-CB 4.28Å; F90-R126 HydrophobicContact CZ-CB 3.59Å; I95-R126 HydrophobicContact CD1-CG 4.22Å; D98-R126 IonicContact OD2-CZ 3.69Å; D98-R126 IonicContact OD2-NE 2.81Å; D98-R126 IonicContact OD2-NH2 3.74Å; D98-R126 PolarHBondContact OD2-NH2 3.14Å; A122-R126 WeakPolarHBondContact O-CG 3.34Å; A122-R126 PolarHBondContact O-N 3.24Å; I123-R126 PolarHBondContact O-N 2.97Å; K124-R126 VanDerWaalsContact C-N 3.31Å; K124-R126 PolarHBondContact O-N 3.44Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.98Å; R126-E129 PolarHBondContact O-N 3.09Å; R126-G130 PolarHBondContact O-N 3.1Å
127V97.6Very high96.5Very high0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-63.3-41.2176.9178.90000110.7Y5 F7 M39 L41 F90 I123 K124 G131 V139 M160Y5-V127 HydrophobicContact CD1-CG1 4.16Å; Y5-V127 HydrophobicContact CE1-CG1 4.12Å; F7-V127 HydrophobicContact CE1-CG1 4.49Å; M39-V127 HydrophobicContact SD-CB 4.23Å; M39-V127 HydrophobicContact SD-CG1 3.94Å; M39-V127 HydrophobicContact SD-CG2 4.27Å; L41-V127 HydrophobicContact CD1-CG2 4.48Å; L41-V127 HydrophobicContact CD2-CG2 4.09Å; F90-V127 HydrophobicContact CZ-CG2 3.79Å; I123-V127 HydrophobicContact CG2-CG2 4.33Å; I123-V127 WeakPolarHBondContact O-CG2 3.26Å; I123-V127 PolarHBondContact O-N 3.34Å; K124-V127 PolarHBondContact O-N 3.28Å; V127-G131 PolarHBondContact O-N 2.84Å; V127-V139 HydrophobicContact CG1-CG1 4.24Å; V127-V139 HydrophobicContact CG1-CG2 3.77Å; V127-V139 HydrophobicContact CG2-CG1 4.29Å; V127-M160 HydrophobicContact CB-CE 3.95Å; V127-M160 HydrophobicContact CB-SD 3.8Å; V127-M160 HydrophobicContact CG1-CE 3.55Å; V127-M160 HydrophobicContact CG1-SD 3.76Å; V127-M160 HydrophobicContact CG2-SD 4.27Å
128L96.7Very high96.6Very high74 Ų7434.3 Ų34.339%0.38718%0.181SC..Hα-helixtrans-66-45.7176.8-68.5171.2000111.3K124 E125 R126 G130 G131 E132 M160 I164K124-L128 WeakPolarHBondContact O-CB 3.11Å; K124-L128 VanDerWaalsContact O-CG 3.26Å; K124-L128 WeakPolarHBondContact O-CG 3.3Å; K124-L128 PolarHBondContact O-N 3.33Å; E125-L128 PolarHBondContact O-N 2.84Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.98Å; L128-G130 PolarHBondContact O-N 2.89Å; L128-G131 PolarHBondContact O-N 3.22Å; L128-G131 VanDerWaalsContact O-N 3.14Å; L128-E132 PolarHBondContact O-N 2.85Å; L128-M160 HydrophobicContact CD2-CE 3.66Å; L128-M160 HydrophobicContact CG-CE 3.91Å; L128-I164 HydrophobicContact CD2-CD1 4.2Å
129E95.1Very high96.7Very high89 Ų8933 Ų3342%0.41618%0.175SC..Hα-helixtrans-61-42.8179.3-171.6-169.1171.400112.8R87 E125 R126 G131R87-E129 PolarHBondContact NH1-O 3.47Å; R87-E129 VanDerWaalsContact NH1-O 3.09Å; E125-E129 WeakPolarHBondContact O-CB 3.41Å; E125-E129 PolarHBondContact O-N 3.2Å; R126-E129 PolarHBondContact O-N 3.09Å; E129-G131 VanDerWaalsContact C-N 3.25Å; E129-G131 PolarHBondContact O-N 3.27Å
130G93.7Very high96.7Very high2 Ų232.8 Ų32.82%0.02117%0.174CC..Hα-helixtrans-75.7-13.6177.400000113.9M39 R126 L128M39-G130 VanDerWaalsContact CE-CA 3.44Å; R126-G130 PolarHBondContact O-N 3.1Å; L128-G130 PolarHBondContact O-N 2.89Å
131G94.2Very high96.6Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-91.8-12176.200000114.9T3 V127 L128 E129 G133 H134T3-G131 WeakPolarHBondContact CG2-O 3.42Å; V127-G131 PolarHBondContact O-N 2.84Å; L128-G131 PolarHBondContact O-N 3.22Å; L128-G131 VanDerWaalsContact O-N 3.14Å; E129-G131 VanDerWaalsContact C-N 3.25Å; E129-G131 PolarHBondContact O-N 3.27Å; G131-G133 PolarHBondContact O-N 3.36Å; G131-H134 PolarHBondContact O-N 3.27Å
132E92.5Very high96.4Very high137 Ų13729.6 Ų29.664%0.6416%0.157SC*.THydrogen-bonded Turntrans-59.1131.1-174.2-168177.6-16600112.1L128L128-E132 PolarHBondContact O-N 2.85Å
133G92.4Very high96.1Very high59 Ų5929.9 Ų29.961%0.60816%0.162SC*.THydrogen-bonded Turntrans85.3-1.9176.700000115.8N35 G131N35-G133 PolarHBondContact ND2-O 2.67Å; G131-G133 PolarHBondContact O-N 3.36Å
134H97.1Very high95.9Very high27 Ų2730.6 Ų30.613%0.12517%0.166CC..  trans-102.4153.4177.6-65.3-79.9000112.9T3 N35 T37 G131 V137T3-H134 WeakPolarHBondContact CB-O 3.26Å; T3-H134 WeakPolarHBondContact CG2-O 3.26Å; T3-H134 PolarHBondContact OG1-O 3.34Å; N35-H134 VanDerWaalsContact CG-ND1 3.33Å; N35-H134 PolarHBondContact ND2-ND1 3.46Å; N35-H134 PolarHBondContact OD1-CE1 2.8Å; N35-H134 PolarHBondContact OD1-ND1 3.02Å; T37-H134 HydrophobicContact CG2-CB 4.06Å; T37-H134 WeakPolarHBondContact CG2-CD2 3.47Å; G131-H134 PolarHBondContact O-N 3.27Å; H134-V137 HydrophobicContact CB-CG2 4.13Å
135D97.3Very high95.7Very high22 Ų2230.6 Ų30.612%0.11817%0.167CC..SBendtrans-78.6-41175.9-56.7-32.1000110.5M1 N4 L34 N35M1-D135 WeakPolarHBondContact CE-OD1 3.48Å; M1-D135 HydrophobicContact SD-CB 4.12Å; M1-D135 VanDerWaalsContact SD-CG 3.58Å; N4-D135 PolarHBondContact N-O 2.77Å; N4-D135 PolarHBondContact ND2-O 3.01Å; L34-D135 HydrophobicContact CD2-CB 4.42Å; N35-D135 PolarHBondContact N-OD2 3.12Å; N35-D135 PolarHBondContact O-N 2.83Å
136V98.4Very high95.4Very high0 Ų028 Ų280%017%0.169CC..EExtended strand (participates in β ladder)trans-136.2132.8178.2-172.50000110.5N4 I6 L29 L34 N35 V36 T37 L138 F264 L266N4-V136 CarbonylContact O-C 3.55Å; N4-V136 WeakPolarHBondContact O-CA 3.41Å; I6-V136 HydrophobicContact CD1-CG1 3.74Å; I6-V136 HydrophobicContact CG1-CG1 3.97Å; L29-V136 HydrophobicContact CD1-CB 4.39Å; L29-V136 HydrophobicContact CD1-CG1 3.97Å; L34-V136 HydrophobicContact CD1-CG2 4.42Å; N35-V136 PolarHBondContact O-N 3.41Å; V36-V136 WeakPolarHBondContact CA-O 3.23Å; V36-V136 HydrophobicContact CG2-CB 4.5Å; T37-V136 PolarHBondContact N-O 3.26Å; T37-V136 VanDerWaalsContact N-O 3.14Å; V136-L138 HydrophobicContact CG1-CD1 4.25Å; V136-F264 HydrophobicContact CG1-CE2 4.31Å; V136-L266 HydrophobicContact CG2-CD1 3.76Å
137V98.4Very high95.3Very high0 Ų028.3 Ų28.30%018%0.176CC..EExtended strand (participates in β ladder)trans-119.1119.8178.7-177.40000108.4T3 N4 Y5 I6 T37 M39 H134 V139T3-V137 HydrophobicContact CG2-CB 4.44Å; T3-V137 HydrophobicContact CG2-CG2 3.36Å; N4-V137 PolarHBondContact O-N 3.41Å; Y5-V137 CarbonylContact C-O 3.59Å; Y5-V137 WeakPolarHBondContact CA-O 3.31Å; Y5-V137 HydrophobicContact CD1-CB 3.86Å; Y5-V137 HydrophobicContact CD1-CG1 4.12Å; Y5-V137 HydrophobicContact CD1-CG2 4.37Å; Y5-V137 HydrophobicContact CE1-CB 4.08Å; Y5-V137 HydrophobicContact CE1-CG1 4.25Å; Y5-V137 HydrophobicContact CE1-CG2 4.14Å; I6-V137 PolarHBondContact N-O 2.91Å; T37-V137 HydrophobicContact CG2-CB 4.26Å; T37-V137 HydrophobicContact CG2-CG1 3.98Å; T37-V137 HydrophobicContact CG2-CG2 3.9Å; M39-V137 HydrophobicContact CE-CG1 3.95Å; M39-V137 HydrophobicContact SD-CG1 4.45Å; H134-V137 HydrophobicContact CB-CG2 4.13Å; V137-V139 HydrophobicContact CG1-CG2 3.88Å
138L98.5Very high95.2Very high0 Ų035.2 Ų35.20%021%0.211CC..EExtended strand (participates in β ladder)trans-92.9121.9171.7-67.684.1000108.9I6 A22 L25 A26 V36 T37 I38 M39 V136I6-L138 HydrophobicContact CB-CG 4.32Å; I6-L138 WeakPolarHBondContact O-CA 3.34Å; A22-L138 HydrophobicContact CB-CD2 4.14Å; A22-L138 VanDerWaalsContact O-CD2 3.23Å; A22-L138 WeakPolarHBondContact O-CD2 3.2Å; L25-L138 HydrophobicContact CB-CD2 4.2Å; L25-L138 HydrophobicContact CD2-CD2 3.97Å; L25-L138 HydrophobicContact CG-CD2 4.14Å; A26-L138 HydrophobicContact CB-CD1 3.93Å; A26-L138 HydrophobicContact CB-CD2 4.22Å; V36-L138 HydrophobicContact CG1-CD1 3.48Å; V36-L138 VanDerWaalsContact CG1-CD1 3.48Å; T37-L138 PolarHBondContact O-N 3.15Å; I38-L138 CarbonylContact C-O 3.59Å; I38-L138 VanDerWaalsContact CA-O 3.29Å; I38-L138 WeakPolarHBondContact CA-O 3.4Å; I38-L138 HydrophobicContact CB-CB 4.46Å; I38-L138 HydrophobicContact CG1-CB 4.24Å; I38-L138 HydrophobicContact CG1-CD1 4.5Å; I38-L138 HydrophobicContact CG2-CB 4.08Å; M39-L138 PolarHBondContact N-O 3.45Å; V136-L138 HydrophobicContact CG1-CD1 4.25Å
139V98.2Very high95.1Very high0 Ų036.1 Ų36.10%021%0.213CC..EExtended strand (participates in β ladder)trans-112.297.9-177.1-173.80000108.2Y5 I6 F7 V8 M39 L41 V127 V137 I141Y5-V139 HydrophobicContact CD1-CG2 4.23Å; I6-V139 PolarHBondContact O-N 2.94Å; F7-V139 HydrophobicContact CD1-CB 3.84Å; F7-V139 HydrophobicContact CD1-CG1 4.24Å; F7-V139 HydrophobicContact CD1-CG2 4.08Å; F7-V139 HydrophobicContact CE1-CB 4.37Å; F7-V139 HydrophobicContact CE1-CG2 4.15Å; V8-V139 PolarHBondContact N-O 3.11Å; M39-V139 HydrophobicContact CG-CB 4.13Å; M39-V139 HydrophobicContact CG-CG1 3.97Å; M39-V139 HydrophobicContact CG-CG2 3.95Å; M39-V139 HydrophobicContact SD-CB 4.48Å; M39-V139 HydrophobicContact SD-CG1 4.06Å; M39-V139 HydrophobicContact SD-CG2 3.92Å; L41-V139 HydrophobicContact CD1-CG1 3.66Å; L41-V139 HydrophobicContact CD2-CG1 4.35Å; V127-V139 HydrophobicContact CG1-CG1 4.24Å; V127-V139 HydrophobicContact CG1-CG2 3.77Å; V127-V139 HydrophobicContact CG2-CG1 4.29Å; V137-V139 HydrophobicContact CG1-CG2 3.88Å; V139-I141 HydrophobicContact CG1-CD1 3.96Å
140E97.8Very high95Very high4 Ų431.9 Ų31.92%0.01919%0.194CC..EExtended strand (participates in β ladder)trans-78.6122176.5-176-180176.900111.1K18 G19 M39 K40 L41 Y76K18-E140 HydrophobicContact CB-CG 4.4Å; K18-E140 WeakPolarHBondContact CB-OE1 3.45Å; K18-E140 WeakPolarHBondContact CE-OE1 3.22Å; G19-E140 WeakPolarHBondContact CA-OE2 3.38Å; G19-E140 PolarHBondContact N-OE1 2.74Å; G19-E140 PolarHBondContact N-OE2 2.79Å; M39-E140 PolarHBondContact O-N 2.72Å; K40-E140 HydrophobicContact CD-CB 4.09Å; K40-E140 HydrophobicContact CD-CG 3.91Å; L41-E140 PolarHBondContact N-O 3.15Å; Y76-E140 PolarHBondContact OH-OE2 3.45Å
141I96.7Very high95.1Very high4 Ų435.7 Ų35.72%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-93112.2173.3-46.1-55.8000108.6V8 T9 K18 L41 V139 F153 L154 I157V8-I141 PolarHBondContact O-N 2.97Å; T9-I141 HydrophobicContact CG2-CB 4.15Å; T9-I141 HydrophobicContact CG2-CG1 3.91Å; K18-I141 WeakPolarHBondContact CE-O 3.47Å; L41-I141 HydrophobicContact CB-CD1 4.27Å; L41-I141 HydrophobicContact CD2-CD1 3.84Å; L41-I141 HydrophobicContact CG-CD1 4.5Å; V139-I141 HydrophobicContact CG1-CD1 3.96Å; I141-F153 HydrophobicContact CD1-CB 4.49Å; I141-F153 HydrophobicContact CG2-CB 3.86Å; I141-F153 HydrophobicContact CG2-CD2 4.23Å; I141-L154 HydrophobicContact CG2-CD2 4.34Å; I141-I157 HydrophobicContact CD1-CD1 4.24Å; I141-I157 HydrophobicContact CD1-CG2 4.02Å; I141-I157 HydrophobicContact CG1-CD1 3.93Å
142G92.4Very high95.3Very high3 Ų336.5 Ų36.53%0.03122%0.218CC..  trans-63165.4171.500000112.1L41 S150L41-G142 WeakPolarHBondContact O-CA 3.39Å; L41-G142 PolarHBondContact O-N 3.07Å; G142-S150 PolarHBondContact O-OG 2.8Å
143G91.6Very high95.5Very high18 Ų1830 Ų3019%0.18619%0.188CC..SBendtrans77.7-168.3-173.100000113.7K18K18-G143 PolarHBondContact NZ-O 3.48Å
144T93.4Very high95.8Very high16 Ų1627.3 Ų27.310%0.09816%0.16CC..  trans-122.4136.3179.4-44.40000109.5G146 D147T144-G146 PolarHBondContact O-N 3.04Å; T144-D147 VanDerWaalsContact CB-OD2 3.25Å; T144-D147 WeakPolarHBondContact CB-OD2 3.46Å; T144-D147 WeakPolarHBondContact O-CB 3.47Å; T144-D147 PolarHBondContact O-N 3.12Å; T144-D147 PolarHBondContact OG1-OD2 3.27Å
145V94.8Very high95.8Very high16 Ų1628 Ų2810%0.09716%0.163CC..THydrogen-bonded Turntrans-59.2126.8173.51760000109.4G10 L154 E197 L198G10-V145 WeakPolarHBondContact O-CG2 3.34Å; G10-V145 PolarHBondContact O-N 3.49Å; V145-L154 HydrophobicContact CG1-CD1 4.49Å; V145-L154 HydrophobicContact CG2-CD1 4.21Å; V145-L154 HydrophobicContact CG2-CD2 4.16Å; V145-E197 HydrophobicContact CG1-CB 4.22Å; V145-L198 HydrophobicContact CG1-CD2 4.1Å; V145-L198 HydrophobicContact CG1-CG 4Å; V145-L198 HydrophobicContact CG2-CD2 3.85Å; V145-L198 HydrophobicContact CG2-CG 4.16Å
146G90.9Very high95.9Very high53 Ų5326.9 Ų26.955%0.54616%0.157SC..THydrogen-bonded Turntrans112.8-22.8-171.800000112.5T144T144-G146 PolarHBondContact O-N 3.04Å
147D93.8Very high95.9Very high71 Ų7126.9 Ų26.938%0.3816%0.157SC..  trans-81.3139.9177.8-61.3-24.6000111.4T144 E149 S150T144-D147 VanDerWaalsContact CB-OD2 3.25Å; T144-D147 WeakPolarHBondContact CB-OD2 3.46Å; T144-D147 WeakPolarHBondContact O-CB 3.47Å; T144-D147 PolarHBondContact O-N 3.12Å; T144-D147 PolarHBondContact OG1-OD2 3.27Å; D147-E149 HydrophobicContact CB-CG 4.06Å; D147-E149 PolarHBondContact O-N 3.28Å; D147-S150 PolarHBondContact O-N 3.25Å
148I95.4Very high95.9Very high144 Ų14430.1 Ų30.174%0.73817%0.169SC*.G310 helixtrans-59.6-36.8-177.4-63.9172.6000111.4S150 L151I148-S150 PolarHBondContact O-N 3.08Å; I148-L151 HydrophobicContact CG2-CD1 4.33Å; I148-L151 WeakPolarHBondContact O-CB 2.95Å; I148-L151 WeakPolarHBondContact O-CG 3.44Å; I148-L151 PolarHBondContact O-N 3.28Å
149E94.1Very high95.9Very high93 Ų9331.2 Ų31.244%0.43517%0.174SC..G310 helixtrans-62.3-26.1-176.266.9176.7-158.800113.5P43 D147P43-E149 HydrophobicContact CB-CB 3.92Å; P43-E149 HydrophobicContact CB-CG 3.76Å; P43-E149 HydrophobicContact CG-CG 4.06Å; P43-E149 WeakPolarHBondContact CG-OE1 3.29Å; D147-E149 HydrophobicContact CB-CG 4.06Å; D147-E149 PolarHBondContact O-N 3.28Å
150S94.1Very high95.8Very high1 Ų131.3 Ų31.31%0.00718%0.175CC..G310 helixtrans-90.1-11.9-177.7-61.50000113.4G142 D147 I148 F153 L154G142-S150 PolarHBondContact O-OG 2.8Å; D147-S150 PolarHBondContact O-N 3.25Å; I148-S150 PolarHBondContact O-N 3.08Å; S150-F153 PolarHBondContact O-N 2.79Å; S150-F153 VanDerWaalsContact O-N 3.15Å; S150-L154 WeakPolarHBondContact O-CG 3.5Å; S150-L154 PolarHBondContact O-N 2.73Å
151L96.2Very high95.9Very high81 Ų8131.6 Ų31.642%0.42418%0.178SC..Hα-helixtrans-56.6-44.5-172.3-67.6173.7000113.9I148 F153 L154 E155I148-L151 HydrophobicContact CG2-CD1 4.33Å; I148-L151 WeakPolarHBondContact O-CB 2.95Å; I148-L151 WeakPolarHBondContact O-CG 3.44Å; I148-L151 PolarHBondContact O-N 3.28Å; L151-F153 VanDerWaalsContact C-N 3.32Å; L151-F153 PolarHBondContact O-N 2.84Å; L151-L154 PolarHBondContact O-N 2.86Å; L151-E155 WeakPolarHBondContact O-CB 3.49Å; L151-E155 PolarHBondContact O-N 3.29Å
152P97.2Very high95.9Very high17 Ų1736.6 Ų36.611%0.1121%0.208CC..Hα-helixtrans-62.7-38.3178.8-22.434.8000112.8V115 I119 I123 A156V115-P152 HydrophobicContact CG1-CB 4.42Å; V115-P152 HydrophobicContact CG1-CG 4.39Å; I119-P152 HydrophobicContact CG2-CB 4.05Å; I123-P152 HydrophobicContact CD1-CB 3.82Å; P152-A156 WeakPolarHBondContact O-CB 3.48Å; P152-A156 PolarHBondContact O-N 3.24Å
153F97.8Very high96.1Very high1 Ų142.3 Ų42.30%0.00423%0.234CC..Hα-helixtrans-68.2-47177.7-63.8-34.7000111.8L41 D42 P43 I123 I141 S150 L151 E155 A156 I157L41-F153 HydrophobicContact CB-CD1 4.34Å; L41-F153 HydrophobicContact CB-CD2 4.04Å; L41-F153 HydrophobicContact CB-CE1 4.28Å; L41-F153 HydrophobicContact CB-CE2 3.93Å; L41-F153 HydrophobicContact CB-CG 4.25Å; L41-F153 HydrophobicContact CB-CZ 4.07Å; L41-F153 HydrophobicContact CD2-CB 4.38Å; L41-F153 HydrophobicContact CD2-CD1 3.78Å; L41-F153 HydrophobicContact CD2-CE1 4.19Å; L41-F153 HydrophobicContact CD2-CG 4.07Å; L41-F153 HydrophobicContact CG-CD1 4.42Å; L41-F153 HydrophobicContact CG-CE1 4.4Å; D42-F153 WeakPolarHBondContact O-CZ 3.46Å; P43-F153 HydrophobicContact CB-CD2 4.47Å; P43-F153 HydrophobicContact CB-CE2 4.03Å; I123-F153 HydrophobicContact CD1-CD1 3.58Å; I123-F153 HydrophobicContact CD1-CE1 3.98Å; I123-F153 HydrophobicContact CG1-CD1 3.88Å; I123-F153 HydrophobicContact CG1-CE1 3.98Å; I123-F153 HydrophobicContact CG2-CD1 3.94Å; I141-F153 HydrophobicContact CD1-CB 4.49Å; I141-F153 HydrophobicContact CG2-CB 3.86Å; I141-F153 HydrophobicContact CG2-CD2 4.23Å; S150-F153 PolarHBondContact O-N 2.79Å; S150-F153 VanDerWaalsContact O-N 3.15Å; L151-F153 VanDerWaalsContact C-N 3.32Å; L151-F153 PolarHBondContact O-N 2.84Å; F153-E155 VanDerWaalsContact C-N 3.32Å; F153-E155 PolarHBondContact O-N 3.08Å; F153-A156 PolarHBondContact O-N 3.37Å; F153-A156 VanDerWaalsContact O-N 3.15Å; F153-I157 WeakPolarHBondContact O-CG1 3.42Å; F153-I157 PolarHBondContact O-N 3.28Å
154L97.8Very high96.3Very high3 Ų343.9 Ų43.92%0.01624%0.238CC..Hα-helixtrans-61.2-42.1179.6-65.4168.2000111.2T9 I141 V145 S150 L151 I157 R158 I201 I203T9-L154 HydrophobicContact CG2-CD2 3.81Å; I141-L154 HydrophobicContact CG2-CD2 4.34Å; V145-L154 HydrophobicContact CG1-CD1 4.49Å; V145-L154 HydrophobicContact CG2-CD1 4.21Å; V145-L154 HydrophobicContact CG2-CD2 4.16Å; S150-L154 WeakPolarHBondContact O-CG 3.5Å; S150-L154 PolarHBondContact O-N 2.73Å; L151-L154 PolarHBondContact O-N 2.86Å; L154-I157 HydrophobicContact CD2-CD1 4.2Å; L154-I157 WeakPolarHBondContact O-CG1 3.42Å; L154-R158 WeakPolarHBondContact O-CB 3.28Å; L154-R158 PolarHBondContact O-N 2.89Å; L154-I201 HydrophobicContact CB-CD1 3.68Å; L154-I201 HydrophobicContact CD1-CD1 3.61Å; L154-I201 HydrophobicContact CD2-CD1 4.48Å; L154-I201 HydrophobicContact CG-CD1 4.11Å; L154-I203 HydrophobicContact CB-CD1 4.21Å; L154-I203 HydrophobicContact CD2-CD1 4.28Å
155E98.1Very high96.5Very high40 Ų4044.3 Ų44.319%0.18725%0.246CC..Hα-helixtrans-64.9-39.9174.9174.656.6-161.900112.4I116 T120 L151 F153 R158 Q159I116-E155 HydrophobicContact CD1-CG 3.78Å; I116-E155 HydrophobicContact CG1-CG 4.22Å; T120-E155 HydrophobicContact CG2-CB 4.12Å; T120-E155 HydrophobicContact CG2-CG 3.76Å; L151-E155 WeakPolarHBondContact O-CB 3.49Å; L151-E155 PolarHBondContact O-N 3.29Å; F153-E155 VanDerWaalsContact C-N 3.32Å; F153-E155 PolarHBondContact O-N 3.08Å; E155-R158 PolarHBondContact O-N 3.05Å; E155-R158 IonicContact OE1-CZ 2.7Å; E155-R158 IonicContact OE1-NE 3.76Å; E155-R158 IonicContact OE1-NH2 2.92Å; E155-R158 PolarHBondContact OE1-NH2 3.24Å; E155-R158 IonicContact OE2-CZ 2.73Å; E155-R158 IonicContact OE2-NE 2.75Å; E155-R158 PolarHBondContact OE2-NE 3.1Å; E155-R158 IonicContact OE2-NH2 3.75Å; E155-R158 PolarHBondContact OE2-NH2 3.47Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 3.12Å; E155-Q159 PolarHBondContact OE1-NE2 3Å
156A98.2Very high96.4Very high0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-62.7-48.8178.100000112T120 I123 K124 P152 F153 R158 Q159 M160T120-A156 HydrophobicContact CG2-CB 4.36Å; I123-A156 HydrophobicContact CB-CB 3.76Å; I123-A156 HydrophobicContact CD1-CB 4.33Å; I123-A156 HydrophobicContact CG2-CB 3.45Å; I123-A156 VanDerWaalsContact CG2-CB 3.45Å; K124-A156 HydrophobicContact CG-CB 4.08Å; P152-A156 WeakPolarHBondContact O-CB 3.48Å; P152-A156 PolarHBondContact O-N 3.24Å; F153-A156 PolarHBondContact O-N 3.37Å; F153-A156 VanDerWaalsContact O-N 3.15Å; A156-R158 VanDerWaalsContact C-N 3.29Å; A156-R158 PolarHBondContact O-N 3.21Å; A156-Q159 WeakPolarHBondContact O-CB 3.26Å; A156-Q159 PolarHBondContact O-N 3.34Å; A156-M160 WeakPolarHBondContact O-CG 3.22Å; A156-M160 PolarHBondContact O-N 2.7Å
157I97.8Very high96.7Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-67.9-30179.263.9174.6000112.4F7 T9 I141 F153 L154 M160 A161 F171 I203F7-I157 HydrophobicContact CB-CD1 3.89Å; F7-I157 HydrophobicContact CD1-CB 3.64Å; F7-I157 HydrophobicContact CD1-CD1 4.44Å; F7-I157 HydrophobicContact CD1-CG2 3.44Å; F7-I157 VanDerWaalsContact CD1-CG2 3.44Å; F7-I157 HydrophobicContact CD2-CB 4.27Å; F7-I157 HydrophobicContact CE1-CB 3.81Å; F7-I157 HydrophobicContact CE1-CG2 3.63Å; F7-I157 HydrophobicContact CE2-CB 4.39Å; F7-I157 HydrophobicContact CG-CB 3.9Å; F7-I157 HydrophobicContact CG-CD1 4.18Å; F7-I157 HydrophobicContact CG-CG2 4.16Å; F7-I157 HydrophobicContact CZ-CB 4.19Å; F7-I157 HydrophobicContact CZ-CG2 4.45Å; T9-I157 HydrophobicContact CG2-CD1 4.23Å; I141-I157 HydrophobicContact CD1-CD1 4.24Å; I141-I157 HydrophobicContact CD1-CG2 4.02Å; I141-I157 HydrophobicContact CG1-CD1 3.93Å; F153-I157 WeakPolarHBondContact O-CG1 3.42Å; F153-I157 PolarHBondContact O-N 3.28Å; L154-I157 HydrophobicContact CD2-CD1 4.2Å; L154-I157 WeakPolarHBondContact O-CG1 3.42Å; I157-M160 PolarHBondContact O-N 2.85Å; I157-A161 PolarHBondContact O-N 2.84Å; I157-F171 HydrophobicContact CB-CE1 4.4Å; I157-F171 HydrophobicContact CD1-CD1 4.33Å; I157-F171 HydrophobicContact CD1-CE1 3.81Å; I157-F171 HydrophobicContact CG1-CE1 3.95Å; I157-I203 HydrophobicContact CD1-CD1 4.31Å; I157-I203 HydrophobicContact CG1-CD1 4.26Å
158R98.4Very high96.9Very high68 Ų6851.7 Ų51.726%0.25726%0.257SS..Hα-helixtrans-63.7-45.6172.3-171.9-160.468.968.92110.8L154 E155 A156 A161 V162 I201 I203L154-R158 WeakPolarHBondContact O-CB 3.28Å; L154-R158 PolarHBondContact O-N 2.89Å; E155-R158 PolarHBondContact O-N 3.05Å; E155-R158 IonicContact OE1-CZ 2.7Å; E155-R158 IonicContact OE1-NE 3.76Å; E155-R158 IonicContact OE1-NH2 2.92Å; E155-R158 PolarHBondContact OE1-NH2 3.24Å; E155-R158 IonicContact OE2-CZ 2.73Å; E155-R158 IonicContact OE2-NE 2.75Å; E155-R158 PolarHBondContact OE2-NE 3.1Å; E155-R158 IonicContact OE2-NH2 3.75Å; E155-R158 PolarHBondContact OE2-NH2 3.47Å; A156-R158 VanDerWaalsContact C-N 3.29Å; A156-R158 PolarHBondContact O-N 3.21Å; R158-A161 PolarHBondContact O-N 3.34Å; R158-V162 WeakPolarHBondContact O-CG2 3.44Å; R158-V162 PolarHBondContact O-N 3.47Å; R158-I201 WeakPolarHBondContact CD-O 3.35Å; R158-I203 HydrophobicContact CB-CD1 4.23Å; R158-I203 HydrophobicContact CB-CG1 3.86Å; R158-I203 HydrophobicContact CG-CG1 3.93Å
159Q98.5Very high97Very high22 Ų2245 Ų4510%0.10322%0.222CC..Hα-helixtrans-60.8-44.5173.8-70.4174.323.400111.1K124 E155 A156 A161 V162 E163K124-Q159 HydrophobicContact CD-CB 3.95Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 3.12Å; E155-Q159 PolarHBondContact OE1-NE2 3Å; A156-Q159 WeakPolarHBondContact O-CB 3.26Å; A156-Q159 PolarHBondContact O-N 3.34Å; Q159-A161 PolarHBondContact O-N 2.9Å; Q159-V162 PolarHBondContact O-N 2.8Å; Q159-V162 VanDerWaalsContact O-N 3.13Å; Q159-E163 WeakPolarHBondContact O-CB 3.42Å; Q159-E163 WeakPolarHBondContact O-CG 3.25Å; Q159-E163 PolarHBondContact O-N 2.81Å
160M98.1Very high97.2Very high2 Ų240.5 Ų40.51%0.0120%0.201CC..Hα-helixtrans-59-44177.1-68.4-178.169.300112.5Y5 F7 K124 V127 L128 A156 I157 V162 E163 I164Y5-M160 HydrophobicContact CD1-CE 4.43Å; Y5-M160 HydrophobicContact CE1-CE 4.32Å; F7-M160 HydrophobicContact CE1-SD 4.32Å; F7-M160 HydrophobicContact CZ-CB 3.96Å; F7-M160 HydrophobicContact CZ-CE 4.42Å; F7-M160 HydrophobicContact CZ-SD 4.4Å; K124-M160 HydrophobicContact CB-CG 4.21Å; K124-M160 HydrophobicContact CB-SD 4.31Å; K124-M160 HydrophobicContact CD-CG 3.74Å; K124-M160 HydrophobicContact CG-CG 3.6Å; K124-M160 HydrophobicContact CG-SD 4.08Å; V127-M160 HydrophobicContact CB-CE 3.95Å; V127-M160 HydrophobicContact CB-SD 3.8Å; V127-M160 HydrophobicContact CG1-CE 3.55Å; V127-M160 HydrophobicContact CG1-SD 3.76Å; V127-M160 HydrophobicContact CG2-SD 4.27Å; L128-M160 HydrophobicContact CD2-CE 3.66Å; L128-M160 HydrophobicContact CG-CE 3.91Å; A156-M160 WeakPolarHBondContact O-CG 3.22Å; A156-M160 PolarHBondContact O-N 2.7Å; I157-M160 PolarHBondContact O-N 2.85Å; M160-V162 PolarHBondContact O-N 3.47Å; M160-E163 PolarHBondContact O-N 3.05Å; M160-I164 HydrophobicContact CB-CD1 4.21Å; M160-I164 HydrophobicContact CE-CD1 3.86Å; M160-I164 VanDerWaalsContact O-CB 3.29Å; M160-I164 WeakPolarHBondContact O-CB 3.34Å; M160-I164 WeakPolarHBondContact O-CG1 3.44Å; M160-I164 PolarHBondContact O-N 2.93Å
161A97.9Very high97.4Very high11 Ų1141.1 Ų41.19%0.09120%0.204CC..Hα-helixtrans-62.5-31.1177.700000113.4F7 I157 R158 Q159 G165 T169 F171F7-A161 HydrophobicContact CE2-CB 4.39Å; I157-A161 PolarHBondContact O-N 2.84Å; R158-A161 PolarHBondContact O-N 3.34Å; Q159-A161 PolarHBondContact O-N 2.9Å; A161-G165 CarbonylContact O-C 3.54Å; A161-G165 VanDerWaalsContact O-CA 3.27Å; A161-G165 WeakPolarHBondContact O-CA 3.35Å; A161-G165 PolarHBondContact O-N 3.43Å; A161-G165 VanDerWaalsContact O-N 3.08Å; A161-T169 HydrophobicContact CB-CG2 4.46Å; A161-F171 HydrophobicContact CB-CE2 3.44Å; A161-F171 VanDerWaalsContact CB-CE2 3.44Å; A161-F171 HydrophobicContact CB-CZ 3.49Å; A161-F171 VanDerWaalsContact CB-CZ 3.49Å
162V97.6Very high97.5Very high108 Ų10837.2 Ų37.266%0.65518%0.183SC*.Hα-helixtrans-74.8-43173.6173.90000111.4R158 Q159 M160R158-V162 WeakPolarHBondContact O-CG2 3.44Å; R158-V162 PolarHBondContact O-N 3.47Å; Q159-V162 PolarHBondContact O-N 2.8Å; Q159-V162 VanDerWaalsContact O-N 3.13Å; M160-V162 PolarHBondContact O-N 3.47Å
163E97.1Very high97.6Very high124 Ų12436.4 Ų36.458%0.57918%0.178SC*.Hα-helixtrans-71.3-44.4-177.2-72.4170-169.800112.7K124 Q159 M160K124-E163 IonicContact NZ-OE1 3.59Å; K124-E163 PolarHBondContact NZ-OE1 3.14Å; K124-E163 IonicContact NZ-OE2 3.91Å; K124-E163 PolarHBondContact NZ-OE2 3.34Å; Q159-E163 WeakPolarHBondContact O-CB 3.42Å; Q159-E163 WeakPolarHBondContact O-CG 3.25Å; Q159-E163 PolarHBondContact O-N 2.81Å; M160-E163 PolarHBondContact O-N 3.05Å
164I96.4Very high97.6Very high51 Ų5136.4 Ų36.426%0.26218%0.178SC..Hα-helixtrans-82.1-36.6-178.9-60173000110.8Y5 L128 M160 H168 T169Y5-I164 HydrophobicContact CD2-CD1 3.73Å; Y5-I164 HydrophobicContact CE2-CD1 3.7Å; L128-I164 HydrophobicContact CD2-CD1 4.2Å; M160-I164 HydrophobicContact CB-CD1 4.21Å; M160-I164 HydrophobicContact CE-CD1 3.86Å; M160-I164 VanDerWaalsContact O-CB 3.29Å; M160-I164 WeakPolarHBondContact O-CB 3.34Å; M160-I164 WeakPolarHBondContact O-CG1 3.44Å; M160-I164 PolarHBondContact O-N 2.93Å; I164-H168 HydrophobicContact CG2-CB 3.74Å; I164-T169 HydrophobicContact CB-CG2 3.87Å; I164-T169 HydrophobicContact CD1-CG2 4.33Å; I164-T169 HydrophobicContact CG2-CG2 3.86Å
165G95.9Very high97.6Very high25 Ų2536.2 Ų36.226%0.25818%0.177SC..  trans94.9152.2178.900000114.5A161 E167 H168 T169A161-G165 CarbonylContact O-C 3.54Å; A161-G165 VanDerWaalsContact O-CA 3.27Å; A161-G165 WeakPolarHBondContact O-CA 3.35Å; A161-G165 PolarHBondContact O-N 3.43Å; A161-G165 VanDerWaalsContact O-N 3.08Å; G165-E167 PolarHBondContact O-N 3.21Å; G165-H168 PolarHBondContact O-N 3.11Å; G165-T169 PolarHBondContact O-N 2.75Å; G165-T169 PolarHBondContact O-OG1 3.48Å
166R93.9Very high97.6Very high138 Ų13836.8 Ų36.852%0.52118%0.181SC..THydrogen-bonded Turntrans-64.8-10.7-172.3-65.6-166.469.4-1592.6116H168 D206 R263R166-H168 VanDerWaalsContact C-N 3.32Å; R166-D206 IonicContact CZ-OD1 3.66Å; R166-D206 IonicContact NH2-OD1 2.68Å; R166-D206 PolarHBondContact NH2-OD1 2.81Å; R166-R263 PolarHBondContact O-NH2 3.15Å; R166-R263 VanDerWaalsContact O-NH2 3.14Å
167E95.9Very high97.6Very high100 Ų10036.8 Ų36.847%0.46718%0.181SC..THydrogen-bonded Turntrans-81.6-14.8175.9-59.1-50.7124.200112.4G165 R263 F264G165-E167 PolarHBondContact O-N 3.21Å; E167-R263 VanDerWaalsContact CD-NH1 3.28Å; E167-R263 IonicContact OE1-CZ 3.1Å; E167-R263 IonicContact OE1-NH1 3.16Å; E167-R263 PolarHBondContact OE1-NH1 3.34Å; E167-R263 IonicContact OE1-NH2 3.42Å; E167-R263 IonicContact OE2-NH1 3.17Å; E167-R263 PolarHBondContact OE2-NH1 2.76Å; E167-R263 VanDerWaalsContact OE2-NH1 3.09Å; E167-F264 WeakPolarHBondContact O-CD1 3.36Å
168H97.8Very high97.5Very high57 Ų5738.5 Ų38.526%0.26419%0.192SC..SBendtrans-127.29.2178.9-59.5-57.1000112.6N4 Y5 I164 G165 R166N4-H168 CarbonylContact C-O 3.6Å; N4-H168 VanDerWaalsContact CA-O 3.31Å; N4-H168 WeakPolarHBondContact CA-O 3.29Å; N4-H168 WeakPolarHBondContact OD1-CA 3.5Å; N4-H168 PolarHBondContact OD1-ND1 3.39Å; Y5-H168 PolarHBondContact N-O 2.96Å; I164-H168 HydrophobicContact CG2-CB 3.74Å; G165-H168 PolarHBondContact O-N 3.11Å; R166-H168 VanDerWaalsContact C-N 3.32Å
169T98.3Very high97.3Very high2 Ų238.9 Ų38.91%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-134.4137.417664.90000111.9Y5 F7 A161 I164 G165Y5-T169 CarbonylContact O-C 3.45Å; Y5-T169 VanDerWaalsContact O-CA 3.29Å; Y5-T169 WeakPolarHBondContact O-CA 3.23Å; F7-T169 HydrophobicContact CE2-CG2 4.04Å; F7-T169 HydrophobicContact CZ-CG2 4.48Å; A161-T169 HydrophobicContact CB-CG2 4.46Å; I164-T169 HydrophobicContact CB-CG2 3.87Å; I164-T169 HydrophobicContact CD1-CG2 4.33Å; I164-T169 HydrophobicContact CG2-CG2 3.86Å; G165-T169 PolarHBondContact O-N 2.75Å; G165-T169 PolarHBondContact O-OG1 3.48Å
170L98.4Very high97.1Very high0 Ų042 Ų420%021%0.21CC..EExtended strand (participates in β ladder)trans-131.2142.9175.6-86.1176.2000110.7Y5 I6 F7 D206 I207 I260 R263 F264Y5-L170 PolarHBondContact O-N 2.92Å; I6-L170 CarbonylContact C-O 3.49Å; I6-L170 WeakPolarHBondContact CA-O 3.13Å; I6-L170 HydrophobicContact CG1-CB 4.34Å; I6-L170 HydrophobicContact CG2-CB 4.46Å; F7-L170 PolarHBondContact N-O 3.26Å; L170-D206 WeakPolarHBondContact CA-OD2 3.42Å; L170-D206 HydrophobicContact CD2-CB 3.29Å; L170-D206 VanDerWaalsContact CD2-CG 3.49Å; L170-I207 HydrophobicContact CD1-CD1 4.22Å; L170-I260 HydrophobicContact CD1-CB 4.34Å; L170-I260 HydrophobicContact CD1-CG1 3.91Å; L170-I260 HydrophobicContact CD1-CG2 4.19Å; L170-R263 HydrophobicContact CD1-CB 4.23Å; L170-R263 HydrophobicContact CD1-CG 4.19Å; L170-R263 HydrophobicContact CD2-CG 3.82Å; L170-R263 HydrophobicContact CG-CG 4.13Å; L170-F264 HydrophobicContact CB-CE1 4.14Å; L170-F264 HydrophobicContact CB-CZ 3.77Å; L170-F264 HydrophobicContact CD1-CD1 4.41Å; L170-F264 HydrophobicContact CD1-CD2 4.48Å; L170-F264 HydrophobicContact CD1-CE1 3.81Å; L170-F264 HydrophobicContact CD1-CE2 3.9Å; L170-F264 HydrophobicContact CD1-CZ 3.55Å; L170-F264 HydrophobicContact CG-CD1 4.48Å; L170-F264 HydrophobicContact CG-CE1 3.61Å; L170-F264 HydrophobicContact CG-CE2 4.45Å; L170-F264 HydrophobicContact CG-CZ 3.61Å
171F98.6Very high96.9Very high13 Ų1346 Ų466%0.05724%0.244CC..EExtended strand (participates in β ladder)trans-106.6115.4169.5-67.7-85.5000110.7F7 I157 A161 I203 D206 I207F7-F171 HydrophobicContact CB-CD1 3.77Å; F7-F171 HydrophobicContact CB-CE1 3.99Å; F7-F171 AromaticContact CD2-CD1 3.94Å; F7-F171 HydrophobicContact CD2-CD1 3.94Å; F7-F171 AromaticContact CD2-CE1 3.58Å; F7-F171 HydrophobicContact CD2-CE1 3.58Å; F7-F171 HydrophobicContact CD2-CE2 4.35Å; F7-F171 HydrophobicContact CD2-CG 4.48Å; F7-F171 AromaticContact CD2-CZ 3.81Å; F7-F171 HydrophobicContact CD2-CZ 3.81Å; F7-F171 HydrophobicContact CE2-CE1 4.4Å; F7-F171 HydrophobicContact CE2-CZ 4.25Å; F7-F171 HydrophobicContact CG-CD1 4.27Å; F7-F171 HydrophobicContact CG-CE1 4.05Å; I157-F171 HydrophobicContact CB-CE1 4.4Å; I157-F171 HydrophobicContact CD1-CD1 4.33Å; I157-F171 HydrophobicContact CD1-CE1 3.81Å; I157-F171 HydrophobicContact CG1-CE1 3.95Å; A161-F171 HydrophobicContact CB-CE2 3.44Å; A161-F171 VanDerWaalsContact CB-CE2 3.44Å; A161-F171 HydrophobicContact CB-CZ 3.49Å; A161-F171 VanDerWaalsContact CB-CZ 3.49Å; F171-I203 HydrophobicContact CB-CG2 4.25Å; F171-I203 HydrophobicContact CD1-CG2 3.41Å; F171-I203 VanDerWaalsContact CD1-CG2 3.41Å; F171-I203 HydrophobicContact CD2-CG2 4.05Å; F171-I203 HydrophobicContact CE1-CD1 4.16Å; F171-I203 HydrophobicContact CE1-CG1 4.24Å; F171-I203 HydrophobicContact CE1-CG2 3.61Å; F171-I203 HydrophobicContact CE2-CG2 4.23Å; F171-I203 HydrophobicContact CG-CG2 3.64Å; F171-I203 HydrophobicContact CZ-CG1 4.44Å; F171-I203 HydrophobicContact CZ-CG2 4.02Å; F171-D206 PolarHBondContact N-OD2 2.91Å; F171-D206 PolarHBondContact O-N 2.95Å; F171-I207 PolarHBondContact O-N 2.54Å
172M98.4Very high96.6Very high0 Ų050.6 Ų50.60%028%0.281CS..EExtended strand (participates in β ladder)trans-105.7113.9174.7-174171.280.900109.7I6 F7 V8 T9 L25 L174 I207 I209 L256I6-M172 HydrophobicContact CG2-CB 3.99Å; F7-M172 PolarHBondContact O-N 2.74Å; V8-M172 WeakPolarHBondContact CA-O 3.37Å; V8-M172 HydrophobicContact CB-CE 4.33Å; V8-M172 HydrophobicContact CG1-CE 3.7Å; V8-M172 HydrophobicContact CG2-CE 3.72Å; T9-M172 PolarHBondContact N-O 2.97Å; L25-M172 HydrophobicContact CD2-CE 4.01Å; L25-M172 HydrophobicContact CD2-SD 3.77Å; M172-L174 HydrophobicContact CE-CD1 4.43Å; M172-I207 HydrophobicContact CB-CB 4.32Å; M172-I207 HydrophobicContact CG-CB 4.13Å; M172-I207 HydrophobicContact CG-CG2 3.93Å; M172-I207 HydrophobicContact SD-CG2 4.45Å; M172-I209 HydrophobicContact CE-CD1 3.8Å; M172-I209 HydrophobicContact CG-CD1 3.96Å; M172-I209 HydrophobicContact CG-CG1 4.14Å; M172-I209 HydrophobicContact SD-CD1 3.43Å; M172-I209 WeakPolarHBondContact SD-CD1 3.48Å; M172-I209 HydrophobicContact SD-CG1 4.15Å; M172-L256 HydrophobicContact SD-CD2 4.43Å
173H98.4Very high96.3Very high0 Ų048.4 Ų48.40%027%0.271CS..EExtended strand (participates in β ladder)trans-112.7122.7-175.3-172.359.7000112T9 G11 T175 S194 L198 P205 I207 L208 I209T9-H173 CarbonylContact O-C 3.59Å; T9-H173 WeakPolarHBondContact O-CA 3.39Å; T9-H173 PolarHBondContact OG1-ND1 3.5Å; G11-H173 PolarHBondContact N-CE1 2.85Å; H173-T175 VanDerWaalsContact CD2-CG2 3.41Å; H173-T175 WeakPolarHBondContact CD2-CG2 3.46Å; H173-S194 PolarHBondContact NE2-OG 2.98Å; H173-L198 HydrophobicContact CB-CD1 3.79Å; H173-L198 VanDerWaalsContact CD2-CD1 3.49Å; H173-L198 WeakPolarHBondContact CD2-CD1 3.25Å; H173-L198 WeakPolarHBondContact ND1-CD1 3.25Å; H173-P205 HydrophobicContact CB-CB 4.07Å; H173-I207 PolarHBondContact N-O 2.98Å; H173-L208 HydrophobicContact CB-CD2 3.98Å; H173-L208 WeakPolarHBondContact O-CA 3.37Å; H173-I209 PolarHBondContact O-N 3.44Å
174L98.2Very high96Very high0 Ų044.8 Ų44.80%027%0.266CS..EExtended strand (participates in β ladder)trans-88.4134.4174.9-81.474.2000110.7V8 T9 G10 G11 K18 A21 M172 I209 R211V8-L174 HydrophobicContact CG1-CD1 3.79Å; T9-L174 PolarHBondContact O-N 3.33Å; G10-L174 CarbonylContact C-O 3.31Å; G10-L174 WeakPolarHBondContact CA-O 3.38Å; G11-L174 PolarHBondContact N-O 2.86Å; K18-L174 HydrophobicContact CB-CD2 4.31Å; K18-L174 HydrophobicContact CG-CB 4.41Å; K18-L174 HydrophobicContact CG-CD2 3.99Å; A21-L174 HydrophobicContact CB-CD2 3.93Å; M172-L174 HydrophobicContact CE-CD1 4.43Å; L174-I209 WeakPolarHBondContact CA-O 3.37Å; L174-I209 HydrophobicContact CD1-CB 4.1Å; L174-I209 HydrophobicContact CD1-CD1 4.15Å; L174-I209 HydrophobicContact CD2-CG2 4.43Å; L174-I209 HydrophobicContact CG-CB 3.84Å; L174-I209 HydrophobicContact CG-CG2 3.94Å; L174-R211 HydrophobicContact CD2-CG 4.46Å
175T98.1Very high95.8Very high0 Ų046.5 Ų46.50%027%0.273CS..EExtended strand (participates in β ladder)trans-138.6153.4176.861.50000111.7H173 T191 L208 I209 R211H173-T175 VanDerWaalsContact CD2-CG2 3.41Å; H173-T175 WeakPolarHBondContact CD2-CG2 3.46Å; T175-T191 WeakPolarHBondContact CB-OG1 3.24Å; T175-T191 HydrophobicContact CG2-CG2 4.06Å; T175-T191 VanDerWaalsContact OG1-CG2 3.28Å; T175-T191 WeakPolarHBondContact OG1-CG2 3.4Å; T175-T191 PolarHBondContact OG1-OG1 2.99Å; T175-L208 HydrophobicContact CG2-CD2 4.37Å; T175-I209 PolarHBondContact N-O 2.95Å; T175-R211 PolarHBondContact O-N 3.41Å
176L97.8Very high95.7Very high51 Ų5145.9 Ų45.927%0.26727%0.265SS..EExtended strand (participates in β ladder)trans-83.3128.7171.3-173.862.9000111.2V12 V13 L16 P178V12-L176 HydrophobicContact CB-CB 4.08Å; V12-L176 HydrophobicContact CG1-CB 3.93Å; V13-L176 HydrophobicContact CG2-CB 4.18Å; V13-L176 HydrophobicContact CG2-CD2 3.96Å; L16-L176 HydrophobicContact CD2-CB 3.96Å; L16-L176 HydrophobicContact CD2-CD1 4.01Å; L176-P178 WeakPolarHBondContact O-CD 3.42Å
177V97.6Very high95.8Very high0 Ų041.8 Ų41.80%025%0.25CS..  trans-111.489.2168.4-179.60000108.1V186 T191 C210 R211 S212 V216 I224V177-V186 HydrophobicContact CG1-CB 3.93Å; V177-V186 HydrophobicContact CG1-CG2 4.44Å; V177-T191 WeakPolarHBondContact CG2-OG1 3.4Å; V177-C210 HydrophobicContact CG2-CB 3.74Å; V177-R211 PolarHBondContact N-O 3.21Å; V177-S212 VanDerWaalsContact O-CB 3.32Å; V177-S212 WeakPolarHBondContact O-CB 3.23Å; V177-S212 PolarHBondContact O-OG 2.84Å; V177-V216 HydrophobicContact CB-CG2 4.26Å; V177-V216 HydrophobicContact CG1-CG1 4.49Å; V177-V216 HydrophobicContact CG1-CG2 4.22Å; V177-V216 HydrophobicContact CG2-CG2 4.5Å; V177-I224 HydrophobicContact CG2-CD1 4.2Å
178P96.3Very high95.9Very high37 Ų3737 Ų3724%0.2423%0.228CC..  trans-72.8140.9-174.428.7-34.3000111.5L176 V186 K187 P190L176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-V186 WeakPolarHBondContact O-CA 3.41Å; P178-K187 WeakPolarHBondContact CD-O 3.35Å; P178-K187 HydrophobicContact CG-CB 4.29Å; P178-K187 PolarHBondContact O-N 2.71Å; P178-P190 HydrophobicContact CG-CG 4.11Å
179Y95.4Very high95.8Very high76 Ų7638.9 Ų38.930%0.29824%0.236SC..EExtended strand (participates in β ladder)trans-87.4126.7167.7175.6-100.4000110.2A181 V186 D213 R214Y179-A181 HydrophobicContact CE1-CB 4.34Å; Y179-V186 HydrophobicContact CD2-CG1 4.1Å; Y179-D213 WeakPolarHBondContact CB-OD1 3.42Å; Y179-R214 VanDerWaalsContact CD1-NH2 3.34Å; Y179-R214 VanDerWaalsContact CE2-NH1 3.32Å
180M94.2Very high95.8Very high88 Ų8840.6 Ų40.643%0.43325%0.247SC..EExtended strand (participates in β ladder)trans-99.5103.8178.9-68.6-62.5-65.900110.3A182 S183 G184 E185 K187M180-A182 PolarHBondContact O-N 3.2Å; M180-S183 WeakPolarHBondContact CB-OG 3.37Å; M180-S183 PolarHBondContact O-N 2.86Å; M180-S183 VanDerWaalsContact O-N 3.09Å; M180-G184 PolarHBondContact O-N 3.17Å; M180-E185 PolarHBondContact N-O 2.82Å; M180-K187 HydrophobicContact CB-CG 4.38Å; M180-K187 HydrophobicContact CG-CD 4.15Å; M180-K187 VanDerWaalsContact CG-CE 3.44Å; M180-K187 HydrophobicContact CG-CG 3.45Å; M180-K187 VanDerWaalsContact CG-CG 3.45Å
181A92.7Very high95.8Very high86 Ų8640.6 Ų40.671%0.71125%0.247SC*.THydrogen-bonded Turntrans-54.9-38.4-179.900000113Y179 S183 G184Y179-A181 HydrophobicContact CE1-CB 4.34Å; A181-S183 VanDerWaalsContact C-N 3.28Å; A181-S183 PolarHBondContact O-N 3.02Å; A181-G184 PolarHBondContact O-N 3Å
182A92.7Very high95.7Very high107 Ų10741.8 Ų41.888%0.88425%0.252SS*.THydrogen-bonded Turntrans-62.2-31.3179.900000114M180M180-A182 PolarHBondContact O-N 3.2Å
183S91.3Very high95.7Very high62 Ų6247.7 Ų47.743%0.43428%0.28SS..THydrogen-bonded Turntrans-110.9-6.7-179.158.60000114M180 A181 E185 K187M180-S183 WeakPolarHBondContact CB-OG 3.37Å; M180-S183 PolarHBondContact O-N 2.86Å; M180-S183 VanDerWaalsContact O-N 3.09Å; A181-S183 VanDerWaalsContact C-N 3.28Å; A181-S183 PolarHBondContact O-N 3.02Å; S183-E185 PolarHBondContact O-N 3.09Å; S183-E185 WeakPolarHBondContact OG-CG 3.18Å; S183-K187 WeakPolarHBondContact OG-CE 3.48Å; S183-K187 PolarHBondContact OG-NZ 2.73Å; S183-K187 VanDerWaalsContact OG-NZ 3.11Å
184G90.2Very high95.6Very high47 Ų4748 Ų4849%0.48528%0.282SS..THydrogen-bonded Turntrans65.820.8-178.700000114.9M180 A181M180-G184 PolarHBondContact O-N 3.17Å; A181-G184 PolarHBondContact O-N 3Å
185E91.6Very high95.6Very high88 Ų8848.2 Ų48.241%0.41128%0.283SS..EExtended strand (participates in β ladder)trans-132.9152.2-176.566.9170.5-151.200112.5M180 S183 K187M180-E185 PolarHBondContact N-O 2.82Å; S183-E185 PolarHBondContact O-N 3.09Å; S183-E185 WeakPolarHBondContact OG-CG 3.18Å; E185-K187 HydrophobicContact CG-CD 4.23Å; E185-K187 WeakPolarHBondContact OE1-CE 3.36Å; E185-K187 IonicContact OE1-NZ 3.64Å; E185-K187 PolarHBondContact OE1-NZ 2.78Å
186V94.2Very high95.6Very high12 Ų1254.4 Ų54.47%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-79.8143170.9-66.30000110.7V177 P178 Y179 R214 E220V177-V186 HydrophobicContact CG1-CB 3.93Å; V177-V186 HydrophobicContact CG1-CG2 4.44Å; P178-V186 WeakPolarHBondContact O-CA 3.41Å; Y179-V186 HydrophobicContact CD2-CG1 4.1Å; V186-R214 HydrophobicContact CG1-CG 4.46Å; V186-E220 HydrophobicContact CG2-CB 4.15Å; V186-E220 HydrophobicContact CG2-CG 3.69Å
187K96.2Very high95.5Very high51 Ų5155.6 Ų55.622%0.22231%0.314CS..  trans-108.1116.3-178.3-55.2-64.8-179.8173.10110.6P178 M180 S183 E185 P190P178-K187 WeakPolarHBondContact CD-O 3.35Å; P178-K187 HydrophobicContact CG-CB 4.29Å; P178-K187 PolarHBondContact O-N 2.71Å; M180-K187 HydrophobicContact CB-CG 4.38Å; M180-K187 HydrophobicContact CG-CD 4.15Å; M180-K187 VanDerWaalsContact CG-CE 3.44Å; M180-K187 HydrophobicContact CG-CG 3.45Å; M180-K187 VanDerWaalsContact CG-CG 3.45Å; S183-K187 WeakPolarHBondContact OG-CE 3.48Å; S183-K187 PolarHBondContact OG-NZ 2.73Å; S183-K187 VanDerWaalsContact OG-NZ 3.11Å; E185-K187 HydrophobicContact CG-CD 4.23Å; E185-K187 WeakPolarHBondContact OE1-CE 3.36Å; E185-K187 IonicContact OE1-NZ 3.64Å; E185-K187 PolarHBondContact OE1-NZ 2.78Å; K187-P190 WeakPolarHBondContact O-CD 3.32Å
188T97.1Very high95.5Very high1 Ų155.6 Ų55.61%0.00631%0.314CS..  trans-87.5-6.1179.649.80000114.3T191 Q192 E220 I224T188-T191 WeakPolarHBondContact O-CB 3.28Å; T188-T191 PolarHBondContact O-N 3.14Å; T188-Q192 WeakPolarHBondContact O-CG 3.46Å; T188-Q192 PolarHBondContact O-N 3Å; T188-E220 HydrophobicContact CG2-CB 3.89Å; T188-E220 HydrophobicContact CG2-CG 4.45Å; T188-E220 WeakPolarHBondContact CG2-OE2 3.46Å; T188-E220 PolarHBondContact OG1-OE2 2.96Å; T188-I224 HydrophobicContact CG2-CD1 3.71Å; T188-I224 HydrophobicContact CG2-CG1 3.65Å
189K97.1Very high95.5Very high96 Ų9657.1 Ų57.142%0.41732%0.32SS..Hα-helixtrans-64.8-41.3-176.3-78.771.1171.7-168.90113.8T191 Q192 H193K189-T191 VanDerWaalsContact C-N 3.31Å; K189-T191 PolarHBondContact O-N 2.98Å; K189-Q192 WeakPolarHBondContact O-CB 3.41Å; K189-Q192 PolarHBondContact O-N 3.46Å; K189-Q192 VanDerWaalsContact O-N 3.13Å; K189-H193 PolarHBondContact O-N 3.15Å
190P97.4Very high95.6Very high37 Ų3757.4 Ų57.424%0.2433%0.333CS..Hα-helixtrans-57.2-44.4175.8-2636.2000112.4V12 P178 K187 Q192 H193 S194V12-P190 HydrophobicContact CB-CB 4.46Å; V12-P190 HydrophobicContact CG1-CB 3.71Å; V12-P190 HydrophobicContact CG2-CB 3.81Å; P178-P190 HydrophobicContact CG-CG 4.11Å; K187-P190 WeakPolarHBondContact O-CD 3.32Å; P190-Q192 PolarHBondContact O-N 3.39Å; P190-H193 PolarHBondContact O-N 3.16Å; P190-S194 WeakPolarHBondContact O-CB 3.48Å; P190-S194 PolarHBondContact O-N 3.49Å
191T98Very high95.7Very high0 Ų055.5 Ų55.50%032%0.324CS..Hα-helixtrans-57.1-46.6172.7-590000112.2T175 V177 T188 K189 H193 S194 V195 L208 I224T175-T191 WeakPolarHBondContact CB-OG1 3.24Å; T175-T191 HydrophobicContact CG2-CG2 4.06Å; T175-T191 VanDerWaalsContact OG1-CG2 3.28Å; T175-T191 WeakPolarHBondContact OG1-CG2 3.4Å; T175-T191 PolarHBondContact OG1-OG1 2.99Å; V177-T191 WeakPolarHBondContact CG2-OG1 3.4Å; T188-T191 WeakPolarHBondContact O-CB 3.28Å; T188-T191 PolarHBondContact O-N 3.14Å; K189-T191 VanDerWaalsContact C-N 3.31Å; K189-T191 PolarHBondContact O-N 2.98Å; T191-H193 VanDerWaalsContact C-N 3.34Å; T191-H193 PolarHBondContact O-N 3.38Å; T191-S194 WeakPolarHBondContact O-CB 3.44Å; T191-S194 PolarHBondContact O-N 3.36Å; T191-V195 WeakPolarHBondContact O-CG2 3.46Å; T191-V195 PolarHBondContact O-N 2.91Å; T191-L208 HydrophobicContact CG2-CD1 4.35Å; T191-L208 HydrophobicContact CG2-CD2 4.48Å; T191-I224 HydrophobicContact CG2-CD1 4.47Å; T191-I224 HydrophobicContact CG2-CG1 4.44Å; T191-I224 HydrophobicContact CG2-CG2 3.88Å
192Q97.7Very high95.8Very high38 Ų3853.9 Ų53.918%0.17832%0.315CS..Hα-helixtrans-60.3-42.5178.8-66.7169.88.200112.3T188 K189 P190 K196 F227T188-Q192 WeakPolarHBondContact O-CG 3.46Å; T188-Q192 PolarHBondContact O-N 3Å; K189-Q192 WeakPolarHBondContact O-CB 3.41Å; K189-Q192 PolarHBondContact O-N 3.46Å; K189-Q192 VanDerWaalsContact O-N 3.13Å; P190-Q192 PolarHBondContact O-N 3.39Å; Q192-K196 PolarHBondContact O-N 3.11Å; Q192-F227 HydrophobicContact CG-CB 4.02Å
193H97.2Very high96.1Very high125 Ų12548.9 Ų48.958%0.57927%0.274SS*.Hα-helixtrans-67.4-40.5176.1-73.2-170.2000111.7K189 P190 T191 V195 K196 E197K189-H193 PolarHBondContact O-N 3.15Å; P190-H193 PolarHBondContact O-N 3.16Å; T191-H193 VanDerWaalsContact C-N 3.34Å; T191-H193 PolarHBondContact O-N 3.38Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V195 PolarHBondContact O-N 3.36Å; H193-K196 WeakPolarHBondContact O-CB 3.49Å; H193-K196 PolarHBondContact O-N 3.26Å; H193-K196 VanDerWaalsContact O-N 3.16Å; H193-E197 PolarHBondContact O-N 2.74Å
194S97.5Very high96.4Very high7 Ų748.6 Ų48.65%0.04927%0.266CS..Hα-helixtrans-59.2-44.6176.4-161.70000112.1G11 H173 P190 T191 K196 E197 L198G11-S194 VanDerWaalsContact CA-OG 3.25Å; G11-S194 WeakPolarHBondContact CA-OG 3.08Å; H173-S194 PolarHBondContact NE2-OG 2.98Å; P190-S194 WeakPolarHBondContact O-CB 3.48Å; P190-S194 PolarHBondContact O-N 3.49Å; T191-S194 WeakPolarHBondContact O-CB 3.44Å; T191-S194 PolarHBondContact O-N 3.36Å; S194-K196 VanDerWaalsContact C-N 3.35Å; S194-E197 PolarHBondContact O-N 3.35Å; S194-L198 PolarHBondContact O-N 3.13Å; S194-L198 VanDerWaalsContact O-N 3.08Å
195V97.9Very high96.8Very high3 Ų346.5 Ų46.52%0.01824%0.243CC..Hα-helixtrans-66.3-38175.9174.30000111.5T191 H193 E197 L198 L199 P205 L208 C228T191-V195 WeakPolarHBondContact O-CG2 3.46Å; T191-V195 PolarHBondContact O-N 2.91Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V195 PolarHBondContact O-N 3.36Å; V195-E197 VanDerWaalsContact C-N 3.28Å; V195-E197 PolarHBondContact O-N 3.21Å; V195-L198 PolarHBondContact O-N 3.4Å; V195-L199 HydrophobicContact CG1-CD1 3.98Å; V195-L199 HydrophobicContact CG1-CG 4.29Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.38Å; V195-L199 PolarHBondContact O-N 2.68Å; V195-P205 HydrophobicContact CG1-CG 3.77Å; V195-P205 HydrophobicContact CG2-CG 4.09Å; V195-L208 HydrophobicContact CG2-CD1 4.1Å; V195-L208 HydrophobicContact CG2-CD2 3.69Å; V195-C228 HydrophobicContact CB-CB 4.21Å; V195-C228 HydrophobicContact CG1-CB 3.94Å; V195-C228 HydrophobicContact CG2-CB 4Å
196K97.6Very high97.1Very high130 Ų13042.6 Ų42.657%0.56523%0.226SC*.Hα-helixtrans-58.1-41.4173.3178.5-164.1167.5-1540111.6Q192 H193 S194 L199 S200Q192-K196 PolarHBondContact O-N 3.11Å; H193-K196 WeakPolarHBondContact O-CB 3.49Å; H193-K196 PolarHBondContact O-N 3.26Å; H193-K196 VanDerWaalsContact O-N 3.16Å; S194-K196 VanDerWaalsContact C-N 3.35Å; K196-L199 PolarHBondContact O-N 3.45Å; K196-S200 PolarHBondContact O-N 3.25Å
197E96.5Very high97.3Very high77 Ų7742 Ų4236%0.3622%0.222SC..Hα-helixtrans-68.8-37.2177.2-64.6-49.5132.700112.5V145 H193 S194 V195 L199 S200V145-E197 HydrophobicContact CG1-CB 4.22Å; H193-E197 PolarHBondContact O-N 2.74Å; S194-E197 PolarHBondContact O-N 3.35Å; V195-E197 VanDerWaalsContact C-N 3.28Å; V195-E197 PolarHBondContact O-N 3.21Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.44Å; E197-S200 PolarHBondContact O-N 3.16Å; E197-S200 PolarHBondContact O-OG 3.12Å
198L96.1Very high97.4Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-60.3-42.8169.3-91176.7000112.2V145 H173 S194 V195 S200 I201 G202 I203 P205V145-L198 HydrophobicContact CG1-CD2 4.1Å; V145-L198 HydrophobicContact CG1-CG 4Å; V145-L198 HydrophobicContact CG2-CD2 3.85Å; V145-L198 HydrophobicContact CG2-CG 4.16Å; H173-L198 HydrophobicContact CB-CD1 3.79Å; H173-L198 VanDerWaalsContact CD2-CD1 3.49Å; H173-L198 WeakPolarHBondContact CD2-CD1 3.25Å; H173-L198 WeakPolarHBondContact ND1-CD1 3.25Å; S194-L198 PolarHBondContact O-N 3.13Å; S194-L198 VanDerWaalsContact O-N 3.08Å; V195-L198 PolarHBondContact O-N 3.4Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 3.29Å; L198-I201 WeakPolarHBondContact O-CG1 3.4Å; L198-I201 PolarHBondContact O-N 3.42Å; L198-G202 PolarHBondContact O-N 3.23Å; L198-I203 CarbonylContact C-O 3.56Å; L198-I203 HydrophobicContact CD2-CB 3.97Å; L198-I203 HydrophobicContact CD2-CD1 4.15Å; L198-I203 HydrophobicContact CD2-CG2 3.92Å; L198-I203 PolarHBondContact O-N 2.62Å; L198-I203 VanDerWaalsContact O-O 3.1Å; L198-P205 HydrophobicContact CD1-CB 4.3Å; L198-P205 HydrophobicContact CD1-CG 4.35Å
199L97Very high97.5Very high69 Ų6939.6 Ų39.636%0.36121%0.211SC..Hα-helixtrans-66.9-34.1179.1-71.2170.5000112.2V195 K196 E197 I201 G202 I203 Q204V195-L199 HydrophobicContact CG1-CD1 3.98Å; V195-L199 HydrophobicContact CG1-CG 4.29Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.38Å; V195-L199 PolarHBondContact O-N 2.68Å; K196-L199 PolarHBondContact O-N 3.45Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.44Å; L199-I201 PolarHBondContact O-N 2.92Å; L199-G202 PolarHBondContact O-N 3.41Å; L199-I203 WeakPolarHBondContact CA-O 3.33Å; L199-I203 PolarHBondContact N-O 2.89Å; L199-Q204 HydrophobicContact CD2-CB 3.99Å; L199-Q204 VanDerWaalsContact CD2-OE1 3.27Å
200S96.8Very high97.5Very high81 Ų8135 Ų3557%0.56619%0.191SC*.Hα-helixtrans-63.6-27.718081.70000112.4K196 E197 L198K196-S200 PolarHBondContact O-N 3.25Å; E197-S200 PolarHBondContact O-N 3.16Å; E197-S200 PolarHBondContact O-OG 3.12Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 3.29Å
201I96.2Very high97.5Very high49 Ų4934.8 Ų34.825%0.25119%0.186SC..THydrogen-bonded Turntrans-96.98.617465.6175.2000113.2L154 R158 L198 L199 I203L154-I201 HydrophobicContact CB-CD1 3.68Å; L154-I201 HydrophobicContact CD1-CD1 3.61Å; L154-I201 HydrophobicContact CD2-CD1 4.48Å; L154-I201 HydrophobicContact CG-CD1 4.11Å; R158-I201 WeakPolarHBondContact CD-O 3.35Å; L198-I201 WeakPolarHBondContact O-CG1 3.4Å; L198-I201 PolarHBondContact O-N 3.42Å; L199-I201 PolarHBondContact O-N 2.92Å; I201-I203 HydrophobicContact CD1-CD1 4.12Å; I201-I203 HydrophobicContact CG1-CD1 4.38Å; I201-I203 HydrophobicContact CG1-CG1 4.5Å
202G96.4Very high97.4Very high51 Ų5135 Ų3553%0.52619%0.187SC..THydrogen-bonded Turntrans86.618.6172.600000115.8L198 L199L198-G202 PolarHBondContact O-N 3.23Å; L199-G202 PolarHBondContact O-N 3.41Å
203I98.1Very high97.2Very high3 Ų337 Ų372%0.01520%0.199CC..  trans-109.1120.6176-61.4171.4000109.7L154 I157 R158 F171 L198 L199 I201L154-I203 HydrophobicContact CB-CD1 4.21Å; L154-I203 HydrophobicContact CD2-CD1 4.28Å; I157-I203 HydrophobicContact CD1-CD1 4.31Å; I157-I203 HydrophobicContact CG1-CD1 4.26Å; R158-I203 HydrophobicContact CB-CD1 4.23Å; R158-I203 HydrophobicContact CB-CG1 3.86Å; R158-I203 HydrophobicContact CG-CG1 3.93Å; F171-I203 HydrophobicContact CB-CG2 4.25Å; F171-I203 HydrophobicContact CD1-CG2 3.41Å; F171-I203 VanDerWaalsContact CD1-CG2 3.41Å; F171-I203 HydrophobicContact CD2-CG2 4.05Å; F171-I203 HydrophobicContact CE1-CD1 4.16Å; F171-I203 HydrophobicContact CE1-CG1 4.24Å; F171-I203 HydrophobicContact CE1-CG2 3.61Å; F171-I203 HydrophobicContact CE2-CG2 4.23Å; F171-I203 HydrophobicContact CG-CG2 3.64Å; F171-I203 HydrophobicContact CZ-CG1 4.44Å; F171-I203 HydrophobicContact CZ-CG2 4.02Å; L198-I203 CarbonylContact C-O 3.56Å; L198-I203 HydrophobicContact CD2-CB 3.97Å; L198-I203 HydrophobicContact CD2-CD1 4.15Å; L198-I203 HydrophobicContact CD2-CG2 3.92Å; L198-I203 PolarHBondContact O-N 2.62Å; L198-I203 VanDerWaalsContact O-O 3.1Å; L199-I203 WeakPolarHBondContact CA-O 3.33Å; L199-I203 PolarHBondContact N-O 2.89Å; I201-I203 HydrophobicContact CD1-CD1 4.12Å; I201-I203 HydrophobicContact CG1-CD1 4.38Å; I201-I203 HydrophobicContact CG1-CG1 4.5Å
204Q97.7Very high97.1Very high56 Ų5635.8 Ų35.826%0.26219%0.19SC..  trans-95118168.3170.964.758.900108.6L199 C228 N229L199-Q204 HydrophobicContact CD2-CB 3.99Å; L199-Q204 VanDerWaalsContact CD2-OE1 3.27Å; Q204-C228 PolarHBondContact NE2-O 3.12Å; Q204-C228 VanDerWaalsContact NE2-O 3.16Å; Q204-N229 PolarHBondContact NE2-O 2.93Å
205P98Very high97Very high2 Ų238.3 Ų38.31%0.01321%0.21CC..  trans-64141.1173.526.8-33.5000110.6H173 V195 L198 L208 V230H173-P205 HydrophobicContact CB-CB 4.07Å; V195-P205 HydrophobicContact CG1-CG 3.77Å; V195-P205 HydrophobicContact CG2-CG 4.09Å; L198-P205 HydrophobicContact CD1-CB 4.3Å; L198-P205 HydrophobicContact CD1-CG 4.35Å; P205-L208 HydrophobicContact CB-CD2 4.49Å; P205-V230 HydrophobicContact CG-CG2 4.13Å; P205-V230 WeakPolarHBondContact O-CG2 3.44Å
206D98.2Very high96.9Very high7 Ų738.4 Ų38.44%0.03721%0.211CC..SBendtrans-96.9-25.6174.5-62.5-76.3000111.9R166 L170 F171 A234 Y259R166-D206 IonicContact CZ-OD1 3.66Å; R166-D206 IonicContact NH2-OD1 2.68Å; R166-D206 PolarHBondContact NH2-OD1 2.81Å; L170-D206 WeakPolarHBondContact CA-OD2 3.42Å; L170-D206 HydrophobicContact CD2-CB 3.29Å; L170-D206 VanDerWaalsContact CD2-CG 3.49Å; F171-D206 PolarHBondContact N-OD2 2.91Å; F171-D206 PolarHBondContact O-N 2.95Å; D206-A234 WeakPolarHBondContact O-CB 3.08Å; D206-Y259 PolarHBondContact O-OH 3.18Å
207I98.6Very high96.8Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-137.8137.8-178.4-59.6162.1000108.6L170 F171 M172 H173 I209 A234 I236 L256 Y259 I260L170-I207 HydrophobicContact CD1-CD1 4.22Å; F171-I207 PolarHBondContact O-N 2.54Å; M172-I207 HydrophobicContact CB-CB 4.32Å; M172-I207 HydrophobicContact CG-CB 4.13Å; M172-I207 HydrophobicContact CG-CG2 3.93Å; M172-I207 HydrophobicContact SD-CG2 4.45Å; H173-I207 PolarHBondContact N-O 2.98Å; I207-I209 HydrophobicContact CG2-CG1 4.5Å; I207-A234 WeakPolarHBondContact CA-O 3.42Å; I207-A234 HydrophobicContact CG1-CB 4.26Å; I207-I236 HydrophobicContact CG2-CG1 4.24Å; I207-L256 HydrophobicContact CD1-CD1 3.87Å; I207-L256 HydrophobicContact CG1-CD1 4.36Å; I207-L256 HydrophobicContact CG2-CD1 3.7Å; I207-Y259 HydrophobicContact CD1-CD1 3.97Å; I207-Y259 HydrophobicContact CD1-CE1 3.97Å; I207-Y259 HydrophobicContact CG1-CD1 3.9Å; I207-Y259 HydrophobicContact CG1-CE1 3.56Å; I207-I260 HydrophobicContact CD1-CD1 4.04Å; I207-I260 HydrophobicContact CD1-CG1 3.75Å
208L98.6Very high96.7Very high0 Ų034.2 Ų34.20%021%0.208CC..EExtended strand (participates in β ladder)trans-117.1119.4171.6-74.6167.5000110.5H173 T175 T191 V195 P205 I224 C228 V230 A234 V235 I236H173-L208 HydrophobicContact CB-CD2 3.98Å; H173-L208 WeakPolarHBondContact O-CA 3.37Å; T175-L208 HydrophobicContact CG2-CD2 4.37Å; T191-L208 HydrophobicContact CG2-CD1 4.35Å; T191-L208 HydrophobicContact CG2-CD2 4.48Å; V195-L208 HydrophobicContact CG2-CD1 4.1Å; V195-L208 HydrophobicContact CG2-CD2 3.69Å; P205-L208 HydrophobicContact CB-CD2 4.49Å; L208-I224 HydrophobicContact CD1-CG2 3.55Å; L208-C228 HydrophobicContact CD1-CB 3.75Å; L208-V230 HydrophobicContact CD1-CB 4.17Å; L208-V230 HydrophobicContact CD1-CG2 3.76Å; L208-V230 HydrophobicContact CG-CG2 4.11Å; L208-A234 PolarHBondContact N-O 2.81Å; L208-V235 CarbonylContact O-C 3.58Å; L208-I236 PolarHBondContact O-N 3.39Å
209I98.2Very high96.7Very high0 Ų040.7 Ų40.70%024%0.243CC..EExtended strand (participates in β ladder)trans-95.8110.8168.6-66-175.4000108A21 M172 H173 L174 T175 I207 I236 L238 L256A21-I209 HydrophobicContact CB-CD1 4.2Å; M172-I209 HydrophobicContact CE-CD1 3.8Å; M172-I209 HydrophobicContact CG-CD1 3.96Å; M172-I209 HydrophobicContact CG-CG1 4.14Å; M172-I209 HydrophobicContact SD-CD1 3.43Å; M172-I209 WeakPolarHBondContact SD-CD1 3.48Å; M172-I209 HydrophobicContact SD-CG1 4.15Å; H173-I209 PolarHBondContact O-N 3.44Å; L174-I209 WeakPolarHBondContact CA-O 3.37Å; L174-I209 HydrophobicContact CD1-CB 4.1Å; L174-I209 HydrophobicContact CD1-CD1 4.15Å; L174-I209 HydrophobicContact CD2-CG2 4.43Å; L174-I209 HydrophobicContact CG-CB 3.84Å; L174-I209 HydrophobicContact CG-CG2 3.94Å; T175-I209 PolarHBondContact N-O 2.95Å; I207-I209 HydrophobicContact CG2-CG1 4.5Å; I209-I236 HydrophobicContact CG1-CB 4.28Å; I209-L238 HydrophobicContact CG2-CB 3.71Å; I209-L238 HydrophobicContact CG2-CD2 3.72Å; I209-L238 HydrophobicContact CG2-CG 4.36Å; I209-L256 HydrophobicContact CD1-CD2 4.35Å
210C98.1Very high96.7Very high0 Ų039.2 Ų39.20%023%0.234CC..EExtended strand (participates in β ladder)trans-93.8103.7-177.6-59.90000109.4V177 V216 I236 L238V177-C210 HydrophobicContact CG2-CB 3.74Å; C210-V216 HydrophobicContact CB-CG2 4Å; C210-I236 WeakPolarHBondContact CB-O 3.49Å; C210-I236 PolarHBondContact N-O 2.9Å; C210-L238 PolarHBondContact O-N 3.42Å
211R97.4Very high96.8Very high33 Ų3338.5 Ų38.513%0.12522%0.219CC..EExtended strand (participates in β ladder)trans-82133.8176.3-64.9-69.4-69.4132.42.6110.4L16 L174 T175 V177 L238 K239 D240L16-R211 HydrophobicContact CB-CG 4.31Å; L16-R211 HydrophobicContact CD2-CB 4.1Å; L16-R211 HydrophobicContact CD2-CG 4.46Å; L16-R211 WeakPolarHBondContact O-CD 3.25Å; L16-R211 PolarHBondContact O-NE 3.33Å; L174-R211 HydrophobicContact CD2-CG 4.46Å; T175-R211 PolarHBondContact O-N 3.41Å; V177-R211 PolarHBondContact N-O 3.21Å; R211-L238 WeakPolarHBondContact CA-O 3.47Å; R211-L238 PolarHBondContact NH1-O 3.43Å; R211-K239 VanDerWaalsContact NH1-C 3.3Å; R211-K239 PolarHBondContact NH1-O 3.13Å; R211-D240 IonicContact CZ-OD1 2.69Å; R211-D240 IonicContact NH1-OD1 2.76Å; R211-D240 PolarHBondContact NH1-OD1 3.11Å; R211-D240 IonicContact NH2-OD1 3.62Å; R211-D240 PolarHBondContact NH2-OD1 3.28Å
212S95.9Very high96.8Very high4 Ų437.9 Ų37.93%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-159.9159.5-178.2-166.10000110.8V177 R214 L238 K239 D240V177-S212 VanDerWaalsContact O-CB 3.32Å; V177-S212 WeakPolarHBondContact O-CB 3.23Å; V177-S212 PolarHBondContact O-OG 2.84Å; S212-R214 VanDerWaalsContact CB-O 3.32Å; S212-R214 WeakPolarHBondContact CB-O 3.44Å; S212-R214 PolarHBondContact O-N 3.29Å; S212-L238 PolarHBondContact N-O 3.17Å; S212-K239 CarbonylContact O-C 3.56Å; S212-K239 VanDerWaalsContact O-CA 3.3Å; S212-K239 WeakPolarHBondContact O-CA 3.46Å; S212-D240 PolarHBondContact O-N 3.01Å
213D93.8Very high96.9Very high79 Ų7938.4 Ų38.442%0.42221%0.209SC..SBendtrans-65.6-15.4176.274-33.6000112.7Y179Y179-D213 WeakPolarHBondContact CB-OD1 3.42Å
214R93.8Very high96.9Very high101 Ų10138.2 Ų38.238%0.38121%0.208SC..SBendtrans-143.2171.5-178.365.7-165.266.4-151.4-7111Y179 V186 S212 V216Y179-R214 VanDerWaalsContact CD1-NH2 3.34Å; Y179-R214 VanDerWaalsContact CE2-NH1 3.32Å; V186-R214 HydrophobicContact CG1-CG 4.46Å; S212-R214 VanDerWaalsContact CB-O 3.32Å; S212-R214 WeakPolarHBondContact CB-O 3.44Å; S212-R214 PolarHBondContact O-N 3.29Å; R214-V216 PolarHBondContact O-N 3.36Å
215A95.4Very high96.9Very high59 Ų5936 Ų3649%0.48820%0.199SC..PPolyproline II helixtrans-63.5132.1173.700000110.7P217 S237A215-P217 WeakPolarHBondContact O-CD 3.49Å; A215-S237 WeakPolarHBondContact CA-OG 3.34Å
216V96.2Very high96.8Very high5 Ų542 Ų423%0.0323%0.231CC..PPolyproline II helixtrans-74119.2176-176.60000108.5V177 C210 R214 E220 R221 S237V177-V216 HydrophobicContact CB-CG2 4.26Å; V177-V216 HydrophobicContact CG1-CG1 4.49Å; V177-V216 HydrophobicContact CG1-CG2 4.22Å; V177-V216 HydrophobicContact CG2-CG2 4.5Å; C210-V216 HydrophobicContact CB-CG2 4Å; R214-V216 PolarHBondContact O-N 3.36Å; V216-E220 HydrophobicContact CG1-CB 4.02Å; V216-R221 HydrophobicContact CB-CG 4.16Å; V216-R221 HydrophobicContact CG1-CG 3.82Å; V216-S237 PolarHBondContact N-OG 3.11Å
217P95.6Very high96.8Very high66 Ų6647.8 Ų47.843%0.42926%0.255SS..PPolyproline II helixtrans-59.9149.7-176.9-24.234.5000112.8A215 N219 E220 R221A215-P217 WeakPolarHBondContact O-CD 3.49Å; P217-N219 VanDerWaalsContact C-N 3.29Å; P217-N219 PolarHBondContact O-N 2.96Å; P217-E220 PolarHBondContact O-N 3.43Å; P217-R221 PolarHBondContact O-N 2.68Å
218A95.5Very high96.7Very high53 Ų5347.8 Ų47.844%0.43826%0.256SS..Hα-helixtrans-53.4-42.6-178.700000113.3E220 R221 A222A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 3.34Å; A218-R221 WeakPolarHBondContact O-CB 3.48Å; A218-R221 PolarHBondContact O-N 3.45Å; A218-R221 VanDerWaalsContact O-N 3.16Å; A218-A222 WeakPolarHBondContact O-CB 3.48Å; A218-A222 PolarHBondContact O-N 2.84Å
219N96.1Very high96.6Very high136 Ų13653.3 Ų53.373%0.72729%0.285SS*.Hα-helixtrans-60.1-38.9177.2-70-13.8000112.9P217 K223P217-N219 VanDerWaalsContact C-N 3.29Å; P217-N219 PolarHBondContact O-N 2.96Å; N219-K223 WeakPolarHBondContact O-CB 3.29Å; N219-K223 PolarHBondContact O-N 2.89Å
220E96.7Very high96.6Very high39 Ų3953.6 Ų53.618%0.18229%0.287CS..Hα-helixtrans-75.6-31.7178.6-64.9-61.7148.500111.2V186 T188 V216 P217 A218 K223 I224V186-E220 HydrophobicContact CG2-CB 4.15Å; V186-E220 HydrophobicContact CG2-CG 3.69Å; T188-E220 HydrophobicContact CG2-CB 3.89Å; T188-E220 HydrophobicContact CG2-CG 4.45Å; T188-E220 WeakPolarHBondContact CG2-OE2 3.46Å; T188-E220 PolarHBondContact OG1-OE2 2.96Å; V216-E220 HydrophobicContact CG1-CB 4.02Å; P217-E220 PolarHBondContact O-N 3.43Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 3.34Å; E220-K223 WeakPolarHBondContact O-CB 3.41Å; E220-K223 PolarHBondContact O-N 2.77Å; E220-K223 IonicContact OE1-NZ 2.8Å; E220-K223 VanDerWaalsContact OE2-CD 3.32Å; E220-K223 WeakPolarHBondContact OE2-CD 3.21Å; E220-K223 IonicContact OE2-NZ 2.78Å; E220-K223 PolarHBondContact OE2-NZ 2.7Å; E220-I224 VanDerWaalsContact O-CG1 3.29Å; E220-I224 WeakPolarHBondContact O-CG1 3.07Å; E220-I224 PolarHBondContact O-N 3.15Å
221R97.3Very high96.4Very high66 Ų6656.3 Ų56.325%0.24931%0.305CS..Hα-helixtrans-65.1-46.4169.7-63.4-168.7-59.8178.80.4112.1V216 P217 A218 K223 I224 A225 V235V216-R221 HydrophobicContact CB-CG 4.16Å; V216-R221 HydrophobicContact CG1-CG 3.82Å; P217-R221 PolarHBondContact O-N 2.68Å; A218-R221 WeakPolarHBondContact O-CB 3.48Å; A218-R221 PolarHBondContact O-N 3.45Å; A218-R221 VanDerWaalsContact O-N 3.16Å; R221-K223 PolarHBondContact O-N 2.99Å; R221-I224 PolarHBondContact O-N 3.24Å; R221-A225 WeakPolarHBondContact O-CB 3.47Å; R221-A225 PolarHBondContact O-N 3.39Å; R221-V235 HydrophobicContact CB-CB 4.4Å; R221-V235 HydrophobicContact CB-CG1 3.96Å; R221-V235 WeakPolarHBondContact CD-O 3.36Å; R221-V235 HydrophobicContact CG-CG1 4.16Å
222A97.2Very high96.3Very high35 Ų3560 Ų6029%0.28932%0.323SS..Hα-helixtrans-59.1-38.5175.500000111.7A218 A225 L226 E232A218-A222 WeakPolarHBondContact O-CB 3.48Å; A218-A222 PolarHBondContact O-N 2.84Å; A222-A225 WeakPolarHBondContact O-CB 3.49Å; A222-A225 PolarHBondContact O-N 2.98Å; A222-L226 WeakPolarHBondContact O-CB 3.28Å; A222-L226 PolarHBondContact O-N 2.62Å; A222-E232 HydrophobicContact CB-CG 4.47Å
223K97.4Very high96.2Very high62 Ų6265.6 Ų65.627%0.2735%0.347SS..Hα-helixtrans-65.5-46.9173.8-177.8-179.2-177.1175.40112.5N219 E220 R221 A225 L226 F227N219-K223 WeakPolarHBondContact O-CB 3.29Å; N219-K223 PolarHBondContact O-N 2.89Å; E220-K223 WeakPolarHBondContact O-CB 3.41Å; E220-K223 PolarHBondContact O-N 2.77Å; E220-K223 IonicContact OE1-NZ 2.8Å; E220-K223 VanDerWaalsContact OE2-CD 3.32Å; E220-K223 WeakPolarHBondContact OE2-CD 3.21Å; E220-K223 IonicContact OE2-NZ 2.78Å; E220-K223 PolarHBondContact OE2-NZ 2.7Å; R221-K223 PolarHBondContact O-N 2.99Å; K223-A225 VanDerWaalsContact C-N 3.31Å; K223-A225 PolarHBondContact O-N 3.04Å; K223-L226 PolarHBondContact O-N 3.25Å; K223-F227 HydrophobicContact CD-CE2 4.5Å; K223-F227 HydrophobicContact CG-CD2 3.55Å; K223-F227 HydrophobicContact CG-CE2 3.64Å; K223-F227 WeakPolarHBondContact O-CB 3.49Å; K223-F227 WeakPolarHBondContact O-CD2 3.44Å; K223-F227 PolarHBondContact O-N 3.36Å
224I98.1Very high96.3Very high0 Ų061.9 Ų61.90%033%0.327CS..Hα-helixtrans-57.6-47.8174.2-71.9166000109.7V177 T188 T191 L208 E220 R221 L226 F227 C228 V235V177-I224 HydrophobicContact CG2-CD1 4.2Å; T188-I224 HydrophobicContact CG2-CD1 3.71Å; T188-I224 HydrophobicContact CG2-CG1 3.65Å; T191-I224 HydrophobicContact CG2-CD1 4.47Å; T191-I224 HydrophobicContact CG2-CG1 4.44Å; T191-I224 HydrophobicContact CG2-CG2 3.88Å; L208-I224 HydrophobicContact CD1-CG2 3.55Å; E220-I224 VanDerWaalsContact O-CG1 3.29Å; E220-I224 WeakPolarHBondContact O-CG1 3.07Å; E220-I224 PolarHBondContact O-N 3.15Å; R221-I224 PolarHBondContact O-N 3.24Å; I224-L226 PolarHBondContact O-N 3.02Å; I224-F227 PolarHBondContact O-N 3.25Å; I224-C228 WeakPolarHBondContact O-CB 3.41Å; I224-C228 PolarHBondContact O-N 3.19Å; I224-C228 PolarHBondContact O-SG 3.05Å; I224-V235 HydrophobicContact CB-CG1 4.09Å; I224-V235 HydrophobicContact CD1-CG1 4.46Å; I224-V235 HydrophobicContact CG2-CG1 3.82Å; I224-V235 HydrophobicContact CG2-CG2 4.19Å
225A97.7Very high96.5Very high8 Ų857.1 Ų57.17%0.06631%0.309CS..Hα-helixtrans-52.9-53.8179.100000111.6R221 A222 K223 N229 V230 E232 V235R221-A225 WeakPolarHBondContact O-CB 3.47Å; R221-A225 PolarHBondContact O-N 3.39Å; A222-A225 WeakPolarHBondContact O-CB 3.49Å; A222-A225 PolarHBondContact O-N 2.98Å; K223-A225 VanDerWaalsContact C-N 3.31Å; K223-A225 PolarHBondContact O-N 3.04Å; A225-N229 PolarHBondContact O-N 3.33Å; A225-N229 VanDerWaalsContact O-N 3.13Å; A225-V230 CarbonylContact C-O 3.52Å; A225-V230 WeakPolarHBondContact CA-O 3.45Å; A225-V230 VanDerWaalsContact CB-O 3.22Å; A225-V230 WeakPolarHBondContact CB-O 3.25Å; A225-V230 PolarHBondContact O-N 2.94Å; A225-V230 VanDerWaalsContact O-N 3.09Å; A225-E232 HydrophobicContact CB-CB 4.02Å; A225-E232 HydrophobicContact CB-CG 4.45Å; A225-V235 HydrophobicContact CB-CG2 3.79Å
226L97.5Very high96.7Very high130 Ų13054.4 Ų54.468%0.68129%0.286SS*.Hα-helixtrans-61.9-46.6179.3-179.663.7000112.6A222 K223 I224A222-L226 WeakPolarHBondContact O-CB 3.28Å; A222-L226 PolarHBondContact O-N 2.62Å; K223-L226 PolarHBondContact O-N 3.25Å; I224-L226 PolarHBondContact O-N 3.02Å
227F97.3Very high96.8Very high127 Ų12754.6 Ų54.656%0.55729%0.288SS*.Hα-helixtrans-79.3-16.7-175-75.7-61.5000114.3Q192 K223 I224Q192-F227 HydrophobicContact CG-CB 4.02Å; K223-F227 HydrophobicContact CD-CE2 4.5Å; K223-F227 HydrophobicContact CG-CD2 3.55Å; K223-F227 HydrophobicContact CG-CE2 3.64Å; K223-F227 WeakPolarHBondContact O-CB 3.49Å; K223-F227 WeakPolarHBondContact O-CD2 3.44Å; K223-F227 PolarHBondContact O-N 3.36Å; I224-F227 PolarHBondContact O-N 3.25Å
228C97.7Very high96.8Very high1 Ų151.6 Ų51.61%0.00727%0.268CS..Hα-helixtrans-107.81-178.9-58.60000113.3V195 Q204 L208 I224 V230V195-C228 HydrophobicContact CB-CB 4.21Å; V195-C228 HydrophobicContact CG1-CB 3.94Å; V195-C228 HydrophobicContact CG2-CB 4Å; Q204-C228 PolarHBondContact NE2-O 3.12Å; Q204-C228 VanDerWaalsContact NE2-O 3.16Å; L208-C228 HydrophobicContact CD1-CB 3.75Å; I224-C228 WeakPolarHBondContact O-CB 3.41Å; I224-C228 PolarHBondContact O-N 3.19Å; I224-C228 PolarHBondContact O-SG 3.05Å; C228-V230 VanDerWaalsContact C-N 3.28Å; C228-V230 HydrophobicContact CB-CG2 4.2Å; C228-V230 PolarHBondContact O-N 3.02Å
229N96.3Very high96.8Very high115 Ų11553.4 Ų53.462%0.61527%0.266SS*.THydrogen-bonded Turntrans57.536.6-175-52.7-43.1000113.7Q204 A225Q204-N229 PolarHBondContact NE2-O 2.93Å; A225-N229 PolarHBondContact O-N 3.33Å; A225-N229 VanDerWaalsContact O-N 3.13Å
230V96.5Very high96.7Very high6 Ų651 Ų514%0.03625%0.254CS..  trans-113136.8178.7179.50000108.8P205 L208 A225 C228 E232 A234 V235P205-V230 HydrophobicContact CG-CG2 4.13Å; P205-V230 WeakPolarHBondContact O-CG2 3.44Å; L208-V230 HydrophobicContact CD1-CB 4.17Å; L208-V230 HydrophobicContact CD1-CG2 3.76Å; L208-V230 HydrophobicContact CG-CG2 4.11Å; A225-V230 CarbonylContact C-O 3.52Å; A225-V230 WeakPolarHBondContact CA-O 3.45Å; A225-V230 VanDerWaalsContact CB-O 3.22Å; A225-V230 WeakPolarHBondContact CB-O 3.25Å; A225-V230 PolarHBondContact O-N 2.94Å; A225-V230 VanDerWaalsContact O-N 3.09Å; C228-V230 VanDerWaalsContact C-N 3.28Å; C228-V230 HydrophobicContact CB-CG2 4.2Å; C228-V230 PolarHBondContact O-N 3.02Å; V230-E232 PolarHBondContact O-N 3.21Å; V230-A234 HydrophobicContact CG1-CB 3.9Å; V230-V235 HydrophobicContact CB-CG2 4.39Å; V230-V235 HydrophobicContact CG1-CG2 4.13Å
231P94.8Very high96.5Very high58 Ų5851 Ų5138%0.37726%0.256SS..  trans-55.8140.3175.3-24.934.6000111.8K233 A234 V235P231-K233 VanDerWaalsContact C-N 3.27Å; P231-K233 HydrophobicContact CB-CG 4.24Å; P231-K233 PolarHBondContact O-N 2.98Å; P231-A234 HydrophobicContact CB-CB 4.35Å; P231-A234 WeakPolarHBondContact O-CA 3.25Å; P231-A234 WeakPolarHBondContact O-CB 3.3Å; P231-A234 PolarHBondContact O-N 2.91Å; P231-V235 PolarHBondContact O-N 2.88Å
232E94.6Very high96.3Very high110 Ų11054.3 Ų54.351%0.51428%0.279SS..G310 helixtrans-56.6-40.1-175.9-173.3177.2174.900113.2A222 A225 V230 A234 V235A222-E232 HydrophobicContact CB-CG 4.47Å; A225-E232 HydrophobicContact CB-CB 4.02Å; A225-E232 HydrophobicContact CB-CG 4.45Å; V230-E232 PolarHBondContact O-N 3.21Å; E232-A234 PolarHBondContact O-N 2.53Å; E232-V235 PolarHBondContact O-N 3.36Å
233K94.1Very high96Very high122 Ų12253 Ų5353%0.5327%0.267SS..G310 helixtrans-63.6-17174.862.6174177.7164.20114.7P231 Y259P231-K233 VanDerWaalsContact C-N 3.27Å; P231-K233 HydrophobicContact CB-CG 4.24Å; P231-K233 PolarHBondContact O-N 2.98Å; K233-Y259 HydrophobicContact CD-CD2 3.86Å; K233-Y259 HydrophobicContact CD-CE2 4.27Å; K233-Y259 VanDerWaalsContact CE-CD2 3.45Å; K233-Y259 VanDerWaalsContact CE-CE2 3.47Å; K233-Y259 HydrophobicContact CG-CD2 4.12Å; K233-Y259 HydrophobicContact CG-CE2 4.35Å
234A97Very high95.8Very high0 Ų052.5 Ų52.50%027%0.267CS..G310 helixtrans-100.57.8177.900000112.1D206 I207 L208 V230 P231 E232 Y259D206-A234 WeakPolarHBondContact O-CB 3.08Å; I207-A234 WeakPolarHBondContact CA-O 3.42Å; I207-A234 HydrophobicContact CG1-CB 4.26Å; L208-A234 PolarHBondContact N-O 2.81Å; V230-A234 HydrophobicContact CG1-CB 3.9Å; P231-A234 HydrophobicContact CB-CB 4.35Å; P231-A234 WeakPolarHBondContact O-CA 3.25Å; P231-A234 WeakPolarHBondContact O-CB 3.3Å; P231-A234 PolarHBondContact O-N 2.91Å; E232-A234 PolarHBondContact O-N 2.53Å; A234-Y259 HydrophobicContact CB-CD1 4.2Å; A234-Y259 HydrophobicContact CB-CE1 3.74Å; A234-Y259 HydrophobicContact CB-CE2 4.18Å
235V98.3Very high95.7Very high1 Ų152.8 Ų52.81%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-98.298.1168.8-1760000108.5L208 R221 I224 A225 V230 P231 E232L208-V235 CarbonylContact O-C 3.58Å; R221-V235 HydrophobicContact CB-CB 4.4Å; R221-V235 HydrophobicContact CB-CG1 3.96Å; R221-V235 WeakPolarHBondContact CD-O 3.36Å; R221-V235 HydrophobicContact CG-CG1 4.16Å; I224-V235 HydrophobicContact CB-CG1 4.09Å; I224-V235 HydrophobicContact CD1-CG1 4.46Å; I224-V235 HydrophobicContact CG2-CG1 3.82Å; I224-V235 HydrophobicContact CG2-CG2 4.19Å; A225-V235 HydrophobicContact CB-CG2 3.79Å; V230-V235 HydrophobicContact CB-CG2 4.39Å; V230-V235 HydrophobicContact CG1-CG2 4.13Å; P231-V235 PolarHBondContact O-N 2.88Å; E232-V235 PolarHBondContact O-N 3.36Å
236I98.3Very high95.6Very high2 Ų255.3 Ų55.31%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-93.8129-172.7-50.7-55.4000109.9I207 L208 I209 C210 L251 Q254 L256I207-I236 HydrophobicContact CG2-CG1 4.24Å; L208-I236 PolarHBondContact O-N 3.39Å; I209-I236 HydrophobicContact CG1-CB 4.28Å; C210-I236 WeakPolarHBondContact CB-O 3.49Å; C210-I236 PolarHBondContact N-O 2.9Å; I236-L251 HydrophobicContact CG2-CD2 3.8Å; I236-Q254 HydrophobicContact CD1-CB 4.26Å; I236-Q254 HydrophobicContact CG2-CB 4.37Å; I236-L256 HydrophobicContact CD1-CB 4.09Å; I236-L256 HydrophobicContact CD1-CD1 4.26Å; I236-L256 HydrophobicContact CG1-CB 4.33Å; I236-L256 HydrophobicContact CG1-CD1 3.99Å; I236-L256 HydrophobicContact CG1-CD2 4.36Å; I236-L256 HydrophobicContact CG1-CG 4.45Å
237S97.8Very high95.6Very high10 Ų1049.5 Ų49.57%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-87.9110172.5166.60000109.4A215 V216 Q254A215-S237 WeakPolarHBondContact CA-OG 3.34Å; V216-S237 PolarHBondContact N-OG 3.11Å; S237-Q254 PolarHBondContact O-NE2 2.77Å; S237-Q254 PolarHBondContact O-OE1 3.29Å
238L96.8Very high95.6Very high2 Ų243.4 Ų43.41%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-112.390.5175.4-175.456.2000109.1A21 I209 C210 R211 S212 I247 L250 L251A21-L238 HydrophobicContact CB-CD2 4.13Å; I209-L238 HydrophobicContact CG2-CB 3.71Å; I209-L238 HydrophobicContact CG2-CD2 3.72Å; I209-L238 HydrophobicContact CG2-CG 4.36Å; C210-L238 PolarHBondContact O-N 3.42Å; R211-L238 WeakPolarHBondContact CA-O 3.47Å; R211-L238 PolarHBondContact NH1-O 3.43Å; S212-L238 PolarHBondContact N-O 3.17Å; L238-I247 HydrophobicContact CD1-CG1 4.34Å; L238-I247 HydrophobicContact CD1-CG2 3.84Å; L238-I247 HydrophobicContact CD2-CG2 4.27Å; L238-L250 HydrophobicContact CD1-CD1 4.49Å; L238-L251 HydrophobicContact CD1-CD2 4.3Å; L238-L251 HydrophobicContact CD2-CD2 4.43Å
239K95.2Very high95.6Very high91 Ų9145 Ų4540%0.39624%0.237SC..EExtended strand (participates in β ladder)trans-67.7161176.966.8171-174176.90111.5R211 S212 V241 L250R211-K239 VanDerWaalsContact NH1-C 3.3Å; R211-K239 PolarHBondContact NH1-O 3.13Å; S212-K239 CarbonylContact O-C 3.56Å; S212-K239 VanDerWaalsContact O-CA 3.3Å; S212-K239 WeakPolarHBondContact O-CA 3.46Å; K239-V241 HydrophobicContact CG-CG1 4.49Å; K239-L250 HydrophobicContact CG-CD1 4.39Å
240D93.7Very high95.6Very high87 Ų8741.6 Ų41.647%0.46522%0.218SC..  trans-62.2140.5164.7-68.4-23.9000110.8R211 S212R211-D240 IonicContact CZ-OD1 2.69Å; R211-D240 IonicContact NH1-OD1 2.76Å; R211-D240 PolarHBondContact NH1-OD1 3.11Å; R211-D240 IonicContact NH2-OD1 3.62Å; R211-D240 PolarHBondContact NH2-OD1 3.28Å; S212-D240 PolarHBondContact O-N 3.01Å
241V93.5Very high95.7Very high39 Ų3941.3 Ų41.324%0.23622%0.217CC..  trans-126.3150.5-177.8-70.70000108.9K239 S243 I247 L250K239-V241 HydrophobicContact CG-CG1 4.49Å; V241-S243 VanDerWaalsContact C-N 3.27Å; V241-S243 WeakPolarHBondContact CG2-O 3.49Å; V241-I247 HydrophobicContact CG2-CD1 4Å; V241-I247 HydrophobicContact CG2-CG1 3.77Å; V241-L250 HydrophobicContact CG1-CD1 3.34Å
242D91.4Very high95.8Very high134 Ų13441 Ų4172%0.71721%0.21SC*.SBendtrans-69.9-25.5172.554.8-14.4000112.6K246D242-K246 WeakPolarHBondContact OD1-CD 3.46Å; D242-K246 WeakPolarHBondContact OD1-CE 3.32Å; D242-K246 IonicContact OD1-NZ 3.38Å; D242-K246 PolarHBondContact OD1-NZ 3.2Å; D242-K246 IonicContact OD2-NZ 2.68Å; D242-K246 PolarHBondContact OD2-NZ 3.01Å
243S92.6Very high95.9Very high7 Ų740.2 Ų40.25%0.04922%0.216CC..  trans-137.5130.9176.8169.30000111.8V241 Y245 K246 E283V241-S243 VanDerWaalsContact C-N 3.27Å; V241-S243 WeakPolarHBondContact CG2-O 3.49Å; S243-Y245 PolarHBondContact O-N 2.53Å; S243-Y245 VanDerWaalsContact OG-CD2 3.31Å; S243-Y245 WeakPolarHBondContact OG-CD2 3.3Å; S243-Y245 PolarHBondContact OG-N 2.87Å; S243-K246 PolarHBondContact O-N 3.24Å; S243-E283 WeakPolarHBondContact CB-OE2 3.35Å; S243-E283 PolarHBondContact OG-OE1 2.86Å; S243-E283 PolarHBondContact OG-OE2 2.81Å
244I93.5Very high96Very high52 Ų5236.6 Ų36.627%0.26720%0.201SC..G310 helixtrans-63.4-24.1177.162.6175.4000112I20 F79 K246 I247I20-I244 HydrophobicContact CD1-CD1 4.19Å; I20-I244 HydrophobicContact CG2-CB 4.22Å; I20-I244 HydrophobicContact CG2-CG2 4.33Å; F79-I244 HydrophobicContact CE2-CD1 4.13Å; F79-I244 HydrophobicContact CZ-CB 4.45Å; F79-I244 HydrophobicContact CZ-CD1 4.35Å; F79-I244 HydrophobicContact CZ-CG1 4.33Å; I244-K246 PolarHBondContact O-N 2.78Å; I244-I247 HydrophobicContact CB-CD1 4.29Å; I244-I247 HydrophobicContact CG2-CD1 4.5Å; I244-I247 WeakPolarHBondContact O-CB 3.24Å; I244-I247 WeakPolarHBondContact O-CG1 3.47Å; I244-I247 PolarHBondContact O-N 2.94Å; I244-I247 VanDerWaalsContact O-N 3.12Å
245Y95.3Very high96Very high7 Ų737.6 Ų37.63%0.02721%0.211CC..G310 helixtrans-69.7-15.2-179.3-49.5-46.2000112.8S243 P248 W276 V279 E310 L317 P522S243-Y245 PolarHBondContact O-N 2.53Å; S243-Y245 VanDerWaalsContact OG-CD2 3.31Å; S243-Y245 WeakPolarHBondContact OG-CD2 3.3Å; S243-Y245 PolarHBondContact OG-N 2.87Å; Y245-P248 WeakPolarHBondContact O-CD 3.47Å; Y245-W276 AromaticContact CD1-CZ3 3.88Å; Y245-W276 HydrophobicContact CD1-CZ3 3.88Å; Y245-V279 HydrophobicContact CD1-CG1 4.32Å; Y245-V279 HydrophobicContact CD2-CG1 3.56Å; Y245-V279 HydrophobicContact CE2-CG1 4.14Å; Y245-V279 HydrophobicContact CG-CG1 3.67Å; Y245-E310 PolarHBondContact OH-OE2 2.76Å; Y245-L317 HydrophobicContact CE2-CD1 4.32Å; Y245-P522 HydrophobicContact CD1-CB 4.35Å; Y245-P522 HydrophobicContact CD1-CG 4.24Å; Y245-P522 HydrophobicContact CE1-CB 3.77Å; Y245-P522 HydrophobicContact CE1-CG 3.72Å; Y245-P522 HydrophobicContact CE2-CB 4.43Å
246K96.4Very high96Very high61 Ų6137.6 Ų37.627%0.26521%0.211SC..G310 helixtrans-80.1-17174.4-61.3178.6-175.3175.10113.3D242 S243 I244 G249 L250 I280D242-K246 WeakPolarHBondContact OD1-CD 3.46Å; D242-K246 WeakPolarHBondContact OD1-CE 3.32Å; D242-K246 IonicContact OD1-NZ 3.38Å; D242-K246 PolarHBondContact OD1-NZ 3.2Å; D242-K246 IonicContact OD2-NZ 2.68Å; D242-K246 PolarHBondContact OD2-NZ 3.01Å; S243-K246 PolarHBondContact O-N 3.24Å; I244-K246 PolarHBondContact O-N 2.78Å; K246-G249 PolarHBondContact O-N 3.24Å; K246-L250 PolarHBondContact O-N 3.28Å; K246-I280 HydrophobicContact CG-CD1 4Å; K246-I280 HydrophobicContact CG-CG1 4.09Å; K246-I280 HydrophobicContact CG-CG2 4.35Å
247I97.2Very high96Very high7 Ų737.5 Ų37.54%0.03621%0.21CC..Hα-helixtrans-62.9-43.4-174-62.8171.8000112.3I20 S24 L238 V241 I244 G249 L250 L251I20-I247 HydrophobicContact CG2-CD1 3.42Å; I20-I247 VanDerWaalsContact CG2-CD1 3.42Å; S24-I247 WeakPolarHBondContact OG-CB 3.49Å; S24-I247 VanDerWaalsContact OG-CG2 3.25Å; S24-I247 WeakPolarHBondContact OG-CG2 3.42Å; L238-I247 HydrophobicContact CD1-CG1 4.34Å; L238-I247 HydrophobicContact CD1-CG2 3.84Å; L238-I247 HydrophobicContact CD2-CG2 4.27Å; V241-I247 HydrophobicContact CG2-CD1 4Å; V241-I247 HydrophobicContact CG2-CG1 3.77Å; I244-I247 HydrophobicContact CB-CD1 4.29Å; I244-I247 HydrophobicContact CG2-CD1 4.5Å; I244-I247 WeakPolarHBondContact O-CB 3.24Å; I244-I247 WeakPolarHBondContact O-CG1 3.47Å; I244-I247 PolarHBondContact O-N 2.94Å; I244-I247 VanDerWaalsContact O-N 3.12Å; I247-G249 VanDerWaalsContact C-N 3.3Å; I247-G249 PolarHBondContact O-N 2.99Å; I247-L250 PolarHBondContact O-N 2.87Å; I247-L251 HydrophobicContact CG2-CD1 3.95Å; I247-L251 HydrophobicContact CG2-CG 4.03Å; I247-L251 WeakPolarHBondContact O-CG 3.44Å; I247-L251 PolarHBondContact O-N 3.01Å
248P97.5Very high95.9Very high0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-51-47.6173.2-29.535.7000113I28 F79 Y245 L250 L251 K252 L273 W276I28-P248 HydrophobicContact CD1-CB 4.42Å; I28-P248 WeakPolarHBondContact CD1-O 3.26Å; I28-P248 HydrophobicContact CG1-CB 3.92Å; F79-P248 HydrophobicContact CD1-CG 4.31Å; F79-P248 HydrophobicContact CE1-CG 3.91Å; Y245-P248 WeakPolarHBondContact O-CD 3.47Å; P248-L250 PolarHBondContact O-N 3.48Å; P248-L251 PolarHBondContact O-N 3.09Å; P248-K252 WeakPolarHBondContact O-CB 3.35Å; P248-K252 PolarHBondContact O-N 3.04Å; P248-L273 HydrophobicContact CB-CD1 4.4Å; P248-W276 HydrophobicContact CG-CD2 4.42Å
249G96.9Very high95.9Very high33 Ų3342.2 Ų42.234%0.3423%0.233SC..Hα-helixtrans-63.8-38.5176.500000113.3K246 I247 S253K246-G249 PolarHBondContact O-N 3.24Å; I247-G249 VanDerWaalsContact C-N 3.3Å; I247-G249 PolarHBondContact O-N 2.99Å; G249-S253 VanDerWaalsContact O-CB 3.3Å; G249-S253 WeakPolarHBondContact O-CB 3.48Å; G249-S253 PolarHBondContact O-N 2.62Å; G249-S253 PolarHBondContact O-OG 3.46Å
250L96.6Very high96Very high45 Ų4537.9 Ų37.924%0.23621%0.214CC..Hα-helixtrans-68.2-36.3177.4-71.7-178.5000113.2L238 K239 V241 K246 I247 P248 S253 Q254L238-L250 HydrophobicContact CD1-CD1 4.49Å; K239-L250 HydrophobicContact CG-CD1 4.39Å; V241-L250 HydrophobicContact CG1-CD1 3.34Å; K246-L250 PolarHBondContact O-N 3.28Å; I247-L250 PolarHBondContact O-N 2.87Å; P248-L250 PolarHBondContact O-N 3.48Å; L250-S253 PolarHBondContact O-OG 3.29Å; L250-Q254 PolarHBondContact O-NE2 3.48Å; L250-Q254 VanDerWaalsContact O-NE2 3.11Å
251L97.5Very high96.2Very high0 Ų034 Ų340%019%0.194CC..Hα-helixtrans-72.2-44.7175.5-64.2-179.5000110.9L25 I28 I236 L238 I247 P248 S253 Q254 G255 L256L25-L251 HydrophobicContact CB-CD1 4.41Å; I28-L251 HydrophobicContact CD1-CB 3.64Å; I28-L251 HydrophobicContact CD1-CD1 4.37Å; I236-L251 HydrophobicContact CG2-CD2 3.8Å; L238-L251 HydrophobicContact CD1-CD2 4.3Å; L238-L251 HydrophobicContact CD2-CD2 4.43Å; I247-L251 HydrophobicContact CG2-CD1 3.95Å; I247-L251 HydrophobicContact CG2-CG 4.03Å; I247-L251 WeakPolarHBondContact O-CG 3.44Å; I247-L251 PolarHBondContact O-N 3.01Å; P248-L251 PolarHBondContact O-N 3.09Å; L251-S253 PolarHBondContact O-N 2.75Å; L251-Q254 PolarHBondContact O-N 3.39Å; L251-G255 PolarHBondContact O-N 2.79Å; L251-L256 HydrophobicContact CB-CD2 4.22Å; L251-L256 HydrophobicContact CD1-CD2 4.22Å; L251-L256 HydrophobicContact CD2-CD2 3.93Å; L251-L256 HydrophobicContact CG-CD2 4.34Å; L251-L256 PolarHBondContact O-N 2.99Å
252K97.2Very high96.3Very high52 Ų5239.8 Ų39.823%0.22622%0.216CC..Hα-helixtrans-59-44.9174.9-173.5-172.9175.2-169.10111.7I28 P248 Q254 G255 E270 A271 L273I28-K252 HydrophobicContact CD1-CB 4.43Å; P248-K252 WeakPolarHBondContact O-CB 3.35Å; P248-K252 PolarHBondContact O-N 3.04Å; K252-Q254 PolarHBondContact O-N 3.21Å; K252-Q254 VanDerWaalsContact O-N 3.07Å; K252-G255 PolarHBondContact O-N 2.73Å; K252-E270 VanDerWaalsContact CE-OE1 3.27Å; K252-E270 WeakPolarHBondContact CE-OE1 3.36Å; K252-E270 IonicContact NZ-OE1 3.57Å; K252-E270 PolarHBondContact NZ-OE1 3.24Å; K252-A271 HydrophobicContact CD-CB 4.23Å; K252-A271 PolarHBondContact NZ-O 3.06Å; K252-L273 HydrophobicContact CB-CD1 4.15Å; K252-L273 HydrophobicContact CD-CD1 3.65Å; K252-L273 HydrophobicContact CD-CG 4.15Å; K252-L273 HydrophobicContact CG-CD1 4.48Å
253S96.4Very high96.5Very high92 Ų9235.8 Ų35.864%0.64319%0.191SC*.THydrogen-bonded Turntrans-63.4-16.9179.967.10000114.3G249 L250 L251G249-S253 VanDerWaalsContact O-CB 3.3Å; G249-S253 WeakPolarHBondContact O-CB 3.48Å; G249-S253 PolarHBondContact O-N 2.62Å; G249-S253 PolarHBondContact O-OG 3.46Å; L250-S253 PolarHBondContact O-OG 3.29Å; L251-S253 PolarHBondContact O-N 2.75Å
254Q97.6Very high96.7Very high47 Ų4735.8 Ų35.822%0.2219%0.19CC..THydrogen-bonded Turntrans-99.12.5173.8-69.9177.79100113.2I236 S237 L250 L251 K252I236-Q254 HydrophobicContact CD1-CB 4.26Å; I236-Q254 HydrophobicContact CG2-CB 4.37Å; S237-Q254 PolarHBondContact O-NE2 2.77Å; S237-Q254 PolarHBondContact O-OE1 3.29Å; L250-Q254 PolarHBondContact O-NE2 3.48Å; L250-Q254 VanDerWaalsContact O-NE2 3.11Å; L251-Q254 PolarHBondContact O-N 3.39Å; K252-Q254 PolarHBondContact O-N 3.21Å; K252-Q254 VanDerWaalsContact O-N 3.07Å
255G96.8Very high96.9Very high21 Ų2138.1 Ų38.122%0.21621%0.211CC..THydrogen-bonded Turntrans71.625.2176.300000114.4L251 K252 Y259L251-G255 PolarHBondContact O-N 2.79Å; K252-G255 PolarHBondContact O-N 2.73Å; G255-Y259 WeakPolarHBondContact O-CB 3.49Å; G255-Y259 PolarHBondContact O-N 2.87Å
256L97.7Very high96.9Very high0 Ų039.2 Ų39.20%022%0.217CC..Hα-helixtrans-62.9-46.5-179.1174.157.2000111.8L25 M172 I207 I209 I236 L251 Y259 I260L25-L256 HydrophobicContact CD1-CD2 4.2Å; L25-L256 HydrophobicContact CD1-CG 4.2Å; M172-L256 HydrophobicContact SD-CD2 4.43Å; I207-L256 HydrophobicContact CD1-CD1 3.87Å; I207-L256 HydrophobicContact CG1-CD1 4.36Å; I207-L256 HydrophobicContact CG2-CD1 3.7Å; I209-L256 HydrophobicContact CD1-CD2 4.35Å; I236-L256 HydrophobicContact CD1-CB 4.09Å; I236-L256 HydrophobicContact CD1-CD1 4.26Å; I236-L256 HydrophobicContact CG1-CB 4.33Å; I236-L256 HydrophobicContact CG1-CD1 3.99Å; I236-L256 HydrophobicContact CG1-CD2 4.36Å; I236-L256 HydrophobicContact CG1-CG 4.45Å; L251-L256 HydrophobicContact CB-CD2 4.22Å; L251-L256 HydrophobicContact CD1-CD2 4.22Å; L251-L256 HydrophobicContact CD2-CD2 3.93Å; L251-L256 HydrophobicContact CG-CD2 4.34Å; L251-L256 PolarHBondContact O-N 2.99Å; L256-Y259 WeakPolarHBondContact O-CB 3.31Å; L256-Y259 PolarHBondContact O-N 2.91Å; L256-I260 HydrophobicContact CD1-CD1 3.81Å; L256-I260 HydrophobicContact CD1-CG1 4.35Å; L256-I260 HydrophobicContact CG-CD1 3.94Å; L256-I260 WeakPolarHBondContact O-CD1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.4Å; L256-I260 PolarHBondContact O-N 3.01Å
257D97.4Very high96.8Very high0 Ų044.4 Ų44.40%025%0.248CC..Hα-helixtrans-65.7-40.9178.558.7-44000112.1I28 L29 R32 Y259 I260 C261I28-D257 HydrophobicContact CB-CB 4.45Å; I28-D257 HydrophobicContact CG2-CB 3.52Å; I28-D257 VanDerWaalsContact CG2-CG 3.48Å; I28-D257 VanDerWaalsContact CG2-OD2 3.29Å; I28-D257 WeakPolarHBondContact CG2-OD2 3.44Å; L29-D257 HydrophobicContact CD2-CB 4.42Å; R32-D257 IonicContact CZ-OD2 3.55Å; R32-D257 IonicContact NE-OD2 3.47Å; R32-D257 PolarHBondContact NE-OD2 3.18Å; R32-D257 IonicContact NH2-OD2 2.77Å; R32-D257 PolarHBondContact NH2-OD2 3Å; D257-Y259 VanDerWaalsContact C-N 3.33Å; D257-Y259 PolarHBondContact O-N 2.78Å; D257-I260 PolarHBondContact O-N 2.62Å; D257-C261 WeakPolarHBondContact O-CB 3.31Å; D257-C261 PolarHBondContact O-N 3.06Å; D257-C261 PolarHBondContact O-SG 2.98Å
258D96.9Very high96.7Very high86 Ų8645.2 Ų45.246%0.4625%0.254SS..Hα-helixtrans-61.2-41.7172.4-78-45.1000112.2R32 I260 K262R32-D258 IonicContact CZ-OD1 2.53Å; R32-D258 IonicContact NH1-OD1 3.51Å; R32-D258 PolarHBondContact NH1-OD1 2.93Å; R32-D258 VanDerWaalsContact NH2-CG 3.25Å; R32-D258 IonicContact NH2-OD1 2.63Å; R32-D258 PolarHBondContact NH2-OD1 3.13Å; R32-D258 IonicContact NH2-OD2 3.09Å; D258-I260 VanDerWaalsContact C-N 3.32Å; D258-I260 PolarHBondContact O-N 2.94Å; D258-K262 VanDerWaalsContact O-CB 3.24Å; D258-K262 WeakPolarHBondContact O-CB 3.03Å; D258-K262 PolarHBondContact O-N 2.88Å
259Y97.1Very high96.7Very high25 Ų2549.4 Ų49.410%0.09828%0.281CS..Hα-helixtrans-60.3-44.5175.7176.2-101.3000111.3D206 I207 K233 A234 G255 L256 D257 R263D206-Y259 PolarHBondContact O-OH 3.18Å; I207-Y259 HydrophobicContact CD1-CD1 3.97Å; I207-Y259 HydrophobicContact CD1-CE1 3.97Å; I207-Y259 HydrophobicContact CG1-CD1 3.9Å; I207-Y259 HydrophobicContact CG1-CE1 3.56Å; K233-Y259 HydrophobicContact CD-CD2 3.86Å; K233-Y259 HydrophobicContact CD-CE2 4.27Å; K233-Y259 VanDerWaalsContact CE-CD2 3.45Å; K233-Y259 VanDerWaalsContact CE-CE2 3.47Å; K233-Y259 HydrophobicContact CG-CD2 4.12Å; K233-Y259 HydrophobicContact CG-CE2 4.35Å; A234-Y259 HydrophobicContact CB-CD1 4.2Å; A234-Y259 HydrophobicContact CB-CE1 3.74Å; A234-Y259 HydrophobicContact CB-CE2 4.18Å; G255-Y259 WeakPolarHBondContact O-CB 3.49Å; G255-Y259 PolarHBondContact O-N 2.87Å; L256-Y259 WeakPolarHBondContact O-CB 3.31Å; L256-Y259 PolarHBondContact O-N 2.91Å; D257-Y259 VanDerWaalsContact C-N 3.33Å; D257-Y259 PolarHBondContact O-N 2.78Å; Y259-R263 WeakPolarHBondContact O-CB 3.33Å; Y259-R263 PolarHBondContact O-N 3.46Å
260I97.8Very high96.7Very high0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-66.2-50.5178.9-71.4162.5000111.1I6 L25 L29 L170 I207 L256 D257 D258 K262 R263 F264I6-I260 HydrophobicContact CD1-CD1 4.11Å; I6-I260 HydrophobicContact CD1-CG2 3.84Å; L25-I260 HydrophobicContact CD1-CD1 3.55Å; L25-I260 HydrophobicContact CD2-CD1 3.56Å; L25-I260 HydrophobicContact CG-CD1 4.15Å; L29-I260 HydrophobicContact CD2-CG2 4.45Å; L170-I260 HydrophobicContact CD1-CB 4.34Å; L170-I260 HydrophobicContact CD1-CG1 3.91Å; L170-I260 HydrophobicContact CD1-CG2 4.19Å; I207-I260 HydrophobicContact CD1-CD1 4.04Å; I207-I260 HydrophobicContact CD1-CG1 3.75Å; L256-I260 HydrophobicContact CD1-CD1 3.81Å; L256-I260 HydrophobicContact CD1-CG1 4.35Å; L256-I260 HydrophobicContact CG-CD1 3.94Å; L256-I260 WeakPolarHBondContact O-CD1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.4Å; L256-I260 PolarHBondContact O-N 3.01Å; D257-I260 PolarHBondContact O-N 2.62Å; D258-I260 VanDerWaalsContact C-N 3.32Å; D258-I260 PolarHBondContact O-N 2.94Å; I260-K262 VanDerWaalsContact C-N 3.27Å; I260-K262 PolarHBondContact O-N 3.48Å; I260-R263 PolarHBondContact O-N 2.96Å; I260-F264 HydrophobicContact CG2-CD2 3.78Å; I260-F264 HydrophobicContact CG2-CE2 3.9Å; I260-F264 PolarHBondContact O-N 3.08Å
261C97.1Very high96.7Very high6 Ų652.4 Ų52.44%0.04129%0.285CS..Hα-helixtrans-59.2-41.7-179.9-650000110.8D257 S265 L266 C268D257-C261 WeakPolarHBondContact O-CB 3.31Å; D257-C261 PolarHBondContact O-N 3.06Å; D257-C261 PolarHBondContact O-SG 2.98Å; C261-S265 PolarHBondContact O-N 3.18Å; C261-L266 HydrophobicContact CB-CB 4.29Å; C261-L266 PolarHBondContact O-N 3.31Å; C261-C268 VanDerWaalsContact SG-SG 3.61Å
262K95.8Very high96.7Very high161 Ų16157.3 Ų57.370%0.731%0.312SS*.Hα-helixtrans-63.6-41.2173.7-179.4167.9-177.4164.40112.5D258 I260 S265D258-K262 VanDerWaalsContact O-CB 3.24Å; D258-K262 WeakPolarHBondContact O-CB 3.03Å; D258-K262 PolarHBondContact O-N 2.88Å; I260-K262 VanDerWaalsContact C-N 3.27Å; I260-K262 PolarHBondContact O-N 3.48Å; K262-S265 PolarHBondContact O-N 3.15Å
263R95.3Very high96.7Very high50 Ų5055.4 Ų55.419%0.18930%0.304CS..Hα-helixtrans-66.7-38.7-179-173.468.7176.81140.6112.2R166 E167 L170 Y259 I260 S265R166-R263 PolarHBondContact O-NH2 3.15Å; R166-R263 VanDerWaalsContact O-NH2 3.14Å; E167-R263 VanDerWaalsContact CD-NH1 3.28Å; E167-R263 IonicContact OE1-CZ 3.1Å; E167-R263 IonicContact OE1-NH1 3.16Å; E167-R263 PolarHBondContact OE1-NH1 3.34Å; E167-R263 IonicContact OE1-NH2 3.42Å; E167-R263 IonicContact OE2-NH1 3.17Å; E167-R263 PolarHBondContact OE2-NH1 2.76Å; E167-R263 VanDerWaalsContact OE2-NH1 3.09Å; L170-R263 HydrophobicContact CD1-CB 4.23Å; L170-R263 HydrophobicContact CD1-CG 4.19Å; L170-R263 HydrophobicContact CD2-CG 3.82Å; L170-R263 HydrophobicContact CG-CG 4.13Å; Y259-R263 WeakPolarHBondContact O-CB 3.33Å; Y259-R263 PolarHBondContact O-N 3.46Å; I260-R263 PolarHBondContact O-N 2.96Å; R263-S265 VanDerWaalsContact C-N 3.31Å
264F97.4Very high96.6Very high7 Ų754 Ų543%0.03129%0.294CS..THydrogen-bonded Turntrans-87.53.2177-67.2-28.4000113.9N4 I6 V136 E167 L170 I260 L266N4-F264 HydrophobicContact CB-CB 4.47Å; N4-F264 HydrophobicContact CB-CD1 4.01Å; N4-F264 HydrophobicContact CB-CD2 3.57Å; N4-F264 HydrophobicContact CB-CE1 4.03Å; N4-F264 HydrophobicContact CB-CE2 3.57Å; N4-F264 HydrophobicContact CB-CG 3.79Å; N4-F264 HydrophobicContact CB-CZ 3.79Å; I6-F264 HydrophobicContact CD1-CE2 3.97Å; I6-F264 HydrophobicContact CG1-CE2 3.61Å; I6-F264 HydrophobicContact CG1-CZ 3.83Å; V136-F264 HydrophobicContact CG1-CE2 4.31Å; E167-F264 WeakPolarHBondContact O-CD1 3.36Å; L170-F264 HydrophobicContact CB-CE1 4.14Å; L170-F264 HydrophobicContact CB-CZ 3.77Å; L170-F264 HydrophobicContact CD1-CD1 4.41Å; L170-F264 HydrophobicContact CD1-CD2 4.48Å; L170-F264 HydrophobicContact CD1-CE1 3.81Å; L170-F264 HydrophobicContact CD1-CE2 3.9Å; L170-F264 HydrophobicContact CD1-CZ 3.55Å; L170-F264 HydrophobicContact CG-CD1 4.48Å; L170-F264 HydrophobicContact CG-CE1 3.61Å; L170-F264 HydrophobicContact CG-CE2 4.45Å; L170-F264 HydrophobicContact CG-CZ 3.61Å; I260-F264 HydrophobicContact CG2-CD2 3.78Å; I260-F264 HydrophobicContact CG2-CE2 3.9Å; I260-F264 PolarHBondContact O-N 3.08Å; F264-L266 HydrophobicContact CB-CD1 3.92Å; F264-L266 HydrophobicContact CB-CG 3.78Å; F264-L266 HydrophobicContact CD2-CD1 4.26Å; F264-L266 PolarHBondContact O-N 2.87Å
265S96.3Very high96.4Very high100 Ų10056.1 Ų56.170%0.69930%0.304SS*.THydrogen-bonded Turntrans53.837.2-176.5-55.60000113.4C261 K262 R263C261-S265 PolarHBondContact O-N 3.18Å; K262-S265 PolarHBondContact O-N 3.15Å; R263-S265 VanDerWaalsContact C-N 3.31Å
266L96.1Very high96.4Very high30 Ų3055.4 Ų55.416%0.15730%0.295CS..  trans-83.8122.4178.1-63.3173.6000110L34 V136 C261 F264L34-L266 HydrophobicContact CD1-CD1 3.91Å; L34-L266 HydrophobicContact CD2-CD1 4.38Å; V136-L266 HydrophobicContact CG2-CD1 3.76Å; C261-L266 HydrophobicContact CB-CB 4.29Å; C261-L266 PolarHBondContact O-N 3.31Å; F264-L266 HydrophobicContact CB-CD1 3.92Å; F264-L266 HydrophobicContact CB-CG 3.78Å; F264-L266 HydrophobicContact CD2-CD1 4.26Å; F264-L266 PolarHBondContact O-N 2.87Å
267N94.9Very high96.2Very high170 Ų17061.1 Ų61.191%0.90932%0.321SS*.  trans-95.796.2172.8-176.636.9000109.5
268C95.2Very high95.9Very high25 Ų2565.4 Ų65.417%0.16934%0.342CS..  trans-137.7157.1-178.554.70000110.5R32 L34 C261R32-C268 HydrophobicContact CB-CB 4.26Å; L34-C268 HydrophobicContact CD2-CB 4.08Å; L34-C268 HydrophobicContact CG-CB 4.29Å; C261-C268 VanDerWaalsContact SG-SG 3.61Å
269P96.9Very high95.8Very high87 Ų8761.4 Ų61.457%0.56532%0.32SS*.PPolyproline II helixtrans-61.6169.6175.726.4-36000112.8R32R32-P269 VanDerWaalsContact CG-O 3.31Å; R32-P269 WeakPolarHBondContact CG-O 3.09Å; R32-P269 PolarHBondContact NH1-O 3.35Å; R32-P269 VanDerWaalsContact O-CD 3.24Å; R32-P269 WeakPolarHBondContact O-CD 3.04Å; R32-P269 VanDerWaalsContact O-CG 3.29Å; R32-P269 WeakPolarHBondContact O-CG 3.47Å
270E97Very high95.7Very high138 Ų13862.3 Ų62.365%0.64533%0.326SS*.PPolyproline II helixtrans-65.5145.5168.1-164.6-169.8148.600110.3K252 N272K252-E270 VanDerWaalsContact CE-OE1 3.27Å; K252-E270 WeakPolarHBondContact CE-OE1 3.36Å; K252-E270 IonicContact NZ-OE1 3.57Å; K252-E270 PolarHBondContact NZ-OE1 3.24Å; E270-N272 PolarHBondContact O-N 3.02Å
271A97.4Very high95.4Very high3 Ų367 Ų673%0.02535%0.347CS..PPolyproline II helixtrans-64.5122.1-179.500000111.6I28 A31 R32 K252 L273I28-A271 HydrophobicContact CG2-CB 3.62Å; A31-A271 HydrophobicContact CB-CB 4.12Å; A31-A271 WeakPolarHBondContact O-CA 3.4Å; R32-A271 HydrophobicContact CG-CB 3.7Å; K252-A271 HydrophobicContact CD-CB 4.23Å; K252-A271 PolarHBondContact NZ-O 3.06Å; A271-L273 HydrophobicContact CB-CD2 4.43Å
272N97Very high94.9Very high104 Ų10468 Ų6856%0.55635%0.351SS*.  trans-88.9105.8170.5-176.8-3.5000110.4A31 E270 S274A31-N272 WeakPolarHBondContact CB-O 3.47Å; A31-N272 PolarHBondContact O-N 3.47Å; A31-N272 VanDerWaalsContact O-N 3.14Å; E270-N272 PolarHBondContact O-N 3.02Å; N272-S274 WeakPolarHBondContact OD1-CB 3.35Å; N272-S274 PolarHBondContact OD1-N 3.4Å; N272-S274 PolarHBondContact OD1-OG 3Å
273L96.3Very high94.7Very high11 Ų1163.8 Ų63.86%0.05833%0.334CS..  trans-97.116.7-179-59.6-176.5000113.6I28 A31 P248 K252 A271 E275 W276 E277I28-L273 HydrophobicContact CG1-CD2 4.44Å; A31-L273 HydrophobicContact CB-CD2 3.89Å; P248-L273 HydrophobicContact CB-CD1 4.4Å; K252-L273 HydrophobicContact CB-CD1 4.15Å; K252-L273 HydrophobicContact CD-CD1 3.65Å; K252-L273 HydrophobicContact CD-CG 4.15Å; K252-L273 HydrophobicContact CG-CD1 4.48Å; A271-L273 HydrophobicContact CB-CD2 4.43Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 2.63Å; L273-W276 HydrophobicContact CB-CB 4.42Å; L273-W276 WeakPolarHBondContact O-CA 3.48Å; L273-W276 WeakPolarHBondContact O-CB 3.48Å; L273-W276 PolarHBondContact O-N 2.68Å; L273-E277 PolarHBondContact O-N 2.69Å
274S95Very high94.4Very high64 Ų6464.6 Ų64.645%0.44835%0.351SS..Hα-helixtrans-56.2-36.2-176.6-65.60000114N272 W276 E277 Q278N272-S274 WeakPolarHBondContact OD1-CB 3.35Å; N272-S274 PolarHBondContact OD1-N 3.4Å; N272-S274 PolarHBondContact OD1-OG 3Å; S274-W276 VanDerWaalsContact C-N 3.31Å; S274-W276 PolarHBondContact O-N 3.4Å; S274-E277 PolarHBondContact O-N 2.99Å; S274-Q278 WeakPolarHBondContact O-CB 3.19Å; S274-Q278 PolarHBondContact O-N 3.45Å
275E94.2Very high93.7Very high90 Ų9067.3 Ų67.342%0.42137%0.366SS..Hα-helixtrans-62.5-38.6174.3-66-179.9-9800112R81 L273 V279 R523R81-E275 IonicContact CZ-OE2 3.67Å; R81-E275 IonicContact NH2-OE2 2.64Å; R81-E275 PolarHBondContact NH2-OE2 3.25Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 2.63Å; E275-V279 WeakPolarHBondContact O-CG2 3.41Å; E275-V279 PolarHBondContact O-N 3.06Å; E275-V279 VanDerWaalsContact O-N 3.13Å; E275-R523 HydrophobicContact CB-CG 4.37Å
276W95.6Very high93Very high7 Ų765.4 Ų65.43%0.02735%0.351CS..Hα-helixtrans-74.5-38.2177.7-68105.3000112.2A27 F79 Y245 P248 L273 S274 Q278 V279 I280 P522A27-W276 HydrophobicContact CB-CZ2 3.82Å; F79-W276 HydrophobicContact CB-CH2 4.35Å; F79-W276 HydrophobicContact CB-CZ2 4.43Å; F79-W276 AromaticContact CD1-CH2 3.62Å; F79-W276 HydrophobicContact CD1-CH2 3.62Å; F79-W276 AromaticContact CD1-CZ2 3.91Å; F79-W276 HydrophobicContact CD1-CZ2 3.91Å; F79-W276 HydrophobicContact CD1-CZ3 4.29Å; F79-W276 HydrophobicContact CE1-CH2 4.05Å; F79-W276 HydrophobicContact CE1-CZ3 4.26Å; F79-W276 AromaticContact CG-CH2 3.96Å; F79-W276 HydrophobicContact CG-CH2 3.96Å; F79-W276 HydrophobicContact CG-CZ2 4.37Å; F79-W276 WeakPolarHBondContact O-CZ2 3.49Å; Y245-W276 AromaticContact CD1-CZ3 3.88Å; Y245-W276 HydrophobicContact CD1-CZ3 3.88Å; P248-W276 HydrophobicContact CG-CD2 4.42Å; L273-W276 HydrophobicContact CB-CB 4.42Å; L273-W276 WeakPolarHBondContact O-CA 3.48Å; L273-W276 WeakPolarHBondContact O-CB 3.48Å; L273-W276 PolarHBondContact O-N 2.68Å; S274-W276 VanDerWaalsContact C-N 3.31Å; S274-W276 PolarHBondContact O-N 3.4Å; W276-Q278 VanDerWaalsContact C-N 3.27Å; W276-Q278 PolarHBondContact O-N 3.16Å; W276-V279 PolarHBondContact O-N 3.18Å; W276-I280 WeakPolarHBondContact O-CD1 3.44Å; W276-I280 VanDerWaalsContact O-CG1 3.25Å; W276-I280 WeakPolarHBondContact O-CG1 3.47Å; W276-I280 PolarHBondContact O-N 3.12Å; W276-P522 HydrophobicContact CH2-CG 4.31Å; W276-P522 HydrophobicContact CZ3-CG 4.07Å
277E93.7Very high91.9Very high119 Ų11966.8 Ų66.856%0.55636%0.361SS*.Hα-helixtrans-60.6-39.5172.9-69.6171.9177.200111L273 S274 I280 F281L273-E277 PolarHBondContact O-N 2.69Å; S274-E277 PolarHBondContact O-N 2.99Å; E277-I280 PolarHBondContact O-N 2.99Å; E277-F281 WeakPolarHBondContact O-CB 3.35Å; E277-F281 PolarHBondContact O-N 3.42Å
278Q91.6Very high90.8Very high91 Ų9159.8 Ų59.843%0.42533%0.325SS..Hα-helixtrans-64-45.4174.7-177.661.329.300112.1S274 W276 I280 F281 E282S274-Q278 WeakPolarHBondContact O-CB 3.19Å; S274-Q278 PolarHBondContact O-N 3.45Å; W276-Q278 VanDerWaalsContact C-N 3.27Å; W276-Q278 PolarHBondContact O-N 3.16Å; Q278-I280 VanDerWaalsContact C-N 3.34Å; Q278-I280 PolarHBondContact O-N 3.32Å; Q278-F281 WeakPolarHBondContact O-CB 3.46Å; Q278-F281 PolarHBondContact O-N 2.66Å; Q278-F281 VanDerWaalsContact O-N 3.17Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.42Å; Q278-E282 PolarHBondContact NE2-OE1 2.9Å; Q278-E282 WeakPolarHBondContact O-CG 3.08Å; Q278-E282 PolarHBondContact O-N 3.1Å
279V95.4Very high90.3Very high1 Ų164.7 Ų64.71%0.00635%0.345CS..Hα-helixtrans-58-45.9174.6166.10000111.5Y245 E275 W276 F281 E282 E283 L317 P522 R523Y245-V279 HydrophobicContact CD1-CG1 4.32Å; Y245-V279 HydrophobicContact CD2-CG1 3.56Å; Y245-V279 HydrophobicContact CE2-CG1 4.14Å; Y245-V279 HydrophobicContact CG-CG1 3.67Å; E275-V279 WeakPolarHBondContact O-CG2 3.41Å; E275-V279 PolarHBondContact O-N 3.06Å; E275-V279 VanDerWaalsContact O-N 3.13Å; W276-V279 PolarHBondContact O-N 3.18Å; V279-F281 VanDerWaalsContact C-N 3.3Å; V279-F281 PolarHBondContact O-N 2.98Å; V279-E282 PolarHBondContact O-N 3.21Å; V279-E283 WeakPolarHBondContact O-CB 3.31Å; V279-E283 PolarHBondContact O-N 3.37Å; V279-L317 HydrophobicContact CG1-CD1 4.03Å; V279-P522 HydrophobicContact CG1-CB 4.01Å; V279-P522 HydrophobicContact CG2-CB 4.26Å; V279-P522 WeakPolarHBondContact CG2-O 3.45Å; V279-R523 HydrophobicContact CG2-CG 4.28Å
280I94.6Very high89.8Confident45 Ų4561.8 Ų61.823%0.23133%0.326CS..Hα-helixtrans-64.5-37.8178.1-64.6160.4000110.7K246 W276 E277 Q278 A284K246-I280 HydrophobicContact CG-CD1 4Å; K246-I280 HydrophobicContact CG-CG1 4.09Å; K246-I280 HydrophobicContact CG-CG2 4.35Å; W276-I280 WeakPolarHBondContact O-CD1 3.44Å; W276-I280 VanDerWaalsContact O-CG1 3.25Å; W276-I280 WeakPolarHBondContact O-CG1 3.47Å; W276-I280 PolarHBondContact O-N 3.12Å; E277-I280 PolarHBondContact O-N 2.99Å; Q278-I280 VanDerWaalsContact C-N 3.34Å; Q278-I280 PolarHBondContact O-N 3.32Å; I280-A284 WeakPolarHBondContact O-CB 3.47Å; I280-A284 PolarHBondContact O-N 3.29Å
281F89.8Confident89.6Confident99 Ų9957.3 Ų57.343%0.43431%0.308SS..Hα-helixtrans-65.7-44.8176.5175.1-99000112E277 Q278 V279 A284 N285E277-F281 WeakPolarHBondContact O-CB 3.35Å; E277-F281 PolarHBondContact O-N 3.42Å; Q278-F281 WeakPolarHBondContact O-CB 3.46Å; Q278-F281 PolarHBondContact O-N 2.66Å; Q278-F281 VanDerWaalsContact O-N 3.17Å; V279-F281 VanDerWaalsContact C-N 3.3Å; V279-F281 PolarHBondContact O-N 2.98Å; F281-A284 PolarHBondContact O-N 2.89Å; F281-N285 WeakPolarHBondContact CD2-ND2 3.46Å; F281-N285 WeakPolarHBondContact O-CB 3.47Å; F281-N285 PolarHBondContact O-N 3.35Å; F281-N285 PolarHBondContact O-ND2 3.5Å
282E88.1Confident89.5Confident26 Ų2657.3 Ų57.312%0.12131%0.308CS..Hα-helixtrans-58.2-48.4174.7-75166.6-168.700110.9Q278 V279 A284 N285 L317 K318Q278-E282 WeakPolarHBondContact CG-OE1 3.42Å; Q278-E282 PolarHBondContact NE2-OE1 2.9Å; Q278-E282 WeakPolarHBondContact O-CG 3.08Å; Q278-E282 PolarHBondContact O-N 3.1Å; V279-E282 PolarHBondContact O-N 3.21Å; E282-A284 PolarHBondContact O-N 3.49Å; E282-N285 PolarHBondContact O-N 2.91Å; E282-L317 HydrophobicContact CB-CB 4.27Å; E282-L317 HydrophobicContact CB-CD2 4.05Å; E282-K318 IonicContact OE1-NZ 3.67Å; E282-K318 IonicContact OE2-NZ 2.7Å; E282-K318 PolarHBondContact OE2-NZ 3.43Å
283E91.1Very high89.5Confident73 Ų7352.4 Ų52.434%0.34128%0.281SS..Hα-helixtrans-64.1-41.5179.8-168.6178.5-142.700112.9S243 V279 N285 L317S243-E283 WeakPolarHBondContact CB-OE2 3.35Å; S243-E283 PolarHBondContact OG-OE1 2.86Å; S243-E283 PolarHBondContact OG-OE2 2.81Å; V279-E283 WeakPolarHBondContact O-CB 3.31Å; V279-E283 PolarHBondContact O-N 3.37Å; E283-N285 VanDerWaalsContact C-N 3.29Å; E283-N285 PolarHBondContact O-N 2.94Å; E283-L317 VanDerWaalsContact CA-CD2 3.43Å; E283-L317 HydrophobicContact CB-CD2 3.5Å; E283-L317 HydrophobicContact CG-CD2 4.12Å
284A88.1Confident89.5Confident66 Ų6651.9 Ų51.955%0.54528%0.279SS..Hα-helixtrans-77.6-14.3-176.200000113.5I280 F281 E282I280-A284 WeakPolarHBondContact O-CB 3.47Å; I280-A284 PolarHBondContact O-N 3.29Å; F281-A284 PolarHBondContact O-N 2.89Å; E282-A284 PolarHBondContact O-N 3.49Å
285N83.9Confident89.6Confident64 Ų6448.9 Ų48.934%0.34226%0.258SS..  trans-129.164.1-175.5-57.2-90.3000111.3F281 E282 E283 R320F281-N285 WeakPolarHBondContact CD2-ND2 3.46Å; F281-N285 WeakPolarHBondContact O-CB 3.47Å; F281-N285 PolarHBondContact O-N 3.35Å; F281-N285 PolarHBondContact O-ND2 3.5Å; E282-N285 PolarHBondContact O-N 2.91Å; E283-N285 VanDerWaalsContact C-N 3.29Å; E283-N285 PolarHBondContact O-N 2.94Å; N285-R320 VanDerWaalsContact CB-NH2 3.31Å; N285-R320 PolarHBondContact O-NE 3.21Å; N285-R320 PolarHBondContact O-NH2 2.89Å
286P81.1Confident89.6Confident61 Ų6144.6 Ų44.640%0.39624%0.238SC..  trans-65.5145.6168.429.8-34.2000110.6R320P286-R320 CarbonylContact C-O 3.49Å; P286-R320 WeakPolarHBondContact CA-O 3.33Å
287V73.9Confident89.3Confident59 Ų5944.4 Ų44.436%0.35824%0.237SC..SBendtrans-95.2-27174.3-174.80000111.1R320 F566V287-R320 HydrophobicContact CG2-CB 4.05Å; V287-R320 PolarHBondContact N-O 2.86Å; V287-F566 HydrophobicContact CB-CE1 4.13Å; V287-F566 HydrophobicContact CB-CZ 4.06Å; V287-F566 HydrophobicContact CG1-CD1 4.01Å; V287-F566 HydrophobicContact CG1-CE1 3.6Å; V287-F566 HydrophobicContact CG1-CZ 3.86Å; V287-F566 HydrophobicContact CG2-CE1 4.06Å; V287-F566 HydrophobicContact CG2-CZ 4.22Å
288S71.5Confident89.1Confident22 Ų2240.2 Ų40.215%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-144175.6179.859.80000110.8V321 S322 M536 G564S288-V321 WeakPolarHBondContact O-CA 3.23Å; S288-V321 WeakPolarHBondContact OG-CG2 3.24Å; S288-S322 PolarHBondContact O-N 3.18Å; S288-M536 PolarHBondContact OG-SD 2.84Å; S288-G564 WeakPolarHBondContact CB-O 3.34Å
289E84.5Confident88.9Confident128 Ų12837 Ų3760%0.59820%0.202SC*.EExtended strand (participates in β ladder)trans-137.5136.3-179.1-177.6174.9-154.300108.8S322 N324E289-S322 VanDerWaalsContact CA-O 3.31Å; E289-S322 WeakPolarHBondContact CA-O 3.29Å; E289-N324 WeakPolarHBondContact CG-ND2 3.39Å; E289-N324 PolarHBondContact OE1-ND2 3.01Å
290V85.6Confident88.4Confident27 Ų2744.9 Ų44.916%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-131.7150.5179-61.70000110.8I292 V321 S322 V323 N324 D345V290-I292 HydrophobicContact CG2-CD1 4.31Å; V290-I292 HydrophobicContact CG2-CG1 4.2Å; V290-V321 HydrophobicContact CB-CG1 4.15Å; V290-V321 HydrophobicContact CG1-CG1 3.75Å; V290-V321 HydrophobicContact CG2-CG1 3.59Å; V290-S322 PolarHBondContact N-O 3.49Å; V290-V323 HydrophobicContact CG2-CG2 4.14Å; V290-N324 WeakPolarHBondContact O-CB 3.49Å; V290-N324 PolarHBondContact O-N 2.95Å; V290-D345 HydrophobicContact CB-CB 4.4Å
291T93.4Very high88.1Confident44 Ų4445 Ų4527%0.2724%0.239SC..EExtended strand (participates in β ladder)trans-111.5111.2176.3-55.70000110.9N324 K326 L344 D345T291-N324 CarbonylContact C-O 3.6Å; T291-N324 WeakPolarHBondContact CA-O 3.29Å; T291-N324 HydrophobicContact CG2-CB 4.48Å; T291-K326 HydrophobicContact CG2-CB 4.22Å; T291-L344 HydrophobicContact CG2-CD2 4.02Å; T291-D345 PolarHBondContact N-OD2 3.25Å; T291-D345 PolarHBondContact O-N 3.13Å
292I94.8Very high88Confident3 Ų343 Ų432%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-104.2124.1-179.6-57.2-176000109.3V290 L312 V323 N324 K326 A346 L348 F532V290-I292 HydrophobicContact CG2-CD1 4.31Å; V290-I292 HydrophobicContact CG2-CG1 4.2Å; I292-L312 HydrophobicContact CD1-CD2 3.86Å; I292-L312 HydrophobicContact CG2-CD1 4.42Å; I292-L312 HydrophobicContact CG2-CD2 4.17Å; I292-V323 HydrophobicContact CB-CG1 4.41Å; I292-V323 HydrophobicContact CD1-CG1 3.64Å; I292-V323 HydrophobicContact CG1-CG1 4.02Å; I292-N324 PolarHBondContact N-O 3.24Å; I292-K326 PolarHBondContact O-N 2.84Å; I292-A346 WeakPolarHBondContact CA-O 3.45Å; I292-A346 HydrophobicContact CG1-CB 4.18Å; I292-A346 HydrophobicContact CG2-CB 4.45Å; I292-L348 HydrophobicContact CG2-CB 4.48Å; I292-F532 HydrophobicContact CD1-CD1 4.06Å; I292-F532 HydrophobicContact CD1-CE1 3.95Å; I292-F532 HydrophobicContact CG2-CE1 3.87Å
293G96.3Very high88.1Confident0 Ų044.6 Ų44.60%025%0.246CC..EExtended strand (participates in β ladder)trans-85.5115.7174.700000111.6K326 A346 I347 L348G293-K326 CarbonylContact C-O 3.51Å; G293-K326 WeakPolarHBondContact CA-O 3.42Å; G293-A346 PolarHBondContact N-O 2.87Å; G293-I347 WeakPolarHBondContact O-CA 3.34Å; G293-L348 PolarHBondContact O-N 3.39Å
294M97Very high88.1Confident1 Ų141.5 Ų41.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-97105.5174-165-176.284.600109.5Y305 V308 I309 I325 K326 L327 I328 L348 P350M294-Y305 HydrophobicContact CE-CD1 4.49Å; M294-Y305 HydrophobicContact CE-CD2 3.33Å; M294-Y305 HydrophobicContact CE-CE2 4.11Å; M294-Y305 HydrophobicContact CE-CG 3.55Å; M294-Y305 HydrophobicContact SD-CG 4.37Å; M294-V308 HydrophobicContact SD-CB 4.45Å; M294-V308 HydrophobicContact SD-CG1 3.84Å; M294-I309 HydrophobicContact SD-CG1 4.22Å; M294-I325 HydrophobicContact CB-CG2 4.04Å; M294-K326 PolarHBondContact N-O 3.38Å; M294-L327 HydrophobicContact CB-CD2 4.23Å; M294-L327 HydrophobicContact CE-CD2 3.23Å; M294-L327 HydrophobicContact SD-CD2 4.2Å; M294-I328 PolarHBondContact O-N 2.77Å; M294-L348 CarbonylContact C-O 3.41Å; M294-L348 WeakPolarHBondContact CA-O 3.36Å; M294-L348 HydrophobicContact CG-CD2 4.21Å; M294-P350 HydrophobicContact CG-CG 4.29Å
295V97.2Very high88.5Confident0 Ų038.9 Ų38.90%021%0.209CC..EExtended strand (participates in β ladder)trans-99.491.9-171.3-172.10000110.9I328 V333 L341 I347 L348 V349 P350 M361 T364V295-I328 VanDerWaalsContact CA-O 3.29Å; V295-I328 WeakPolarHBondContact CA-O 3.5Å; V295-I328 HydrophobicContact CG2-CB 4.18Å; V295-I328 HydrophobicContact CG2-CD1 4.47Å; V295-I328 HydrophobicContact CG2-CG2 4.41Å; V295-V333 HydrophobicContact CG1-CG2 4.04Å; V295-L341 HydrophobicContact CG2-CD2 3.84Å; V295-I347 HydrophobicContact CG2-CG2 4.25Å; V295-L348 PolarHBondContact N-O 2.91Å; V295-V349 HydrophobicContact CB-CG2 4.37Å; V295-P350 WeakPolarHBondContact O-CD 3.37Å; V295-M361 WeakPolarHBondContact O-CE 3.41Å; V295-T364 HydrophobicContact CB-CG2 4.03Å; V295-T364 HydrophobicContact CG1-CG2 4.22Å; V295-T364 HydrophobicContact CG2-CG2 3.73Å
296G94.8Very high89Confident0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-117-177.4-171.300000115I299 I328 S330G296-I299 WeakPolarHBondContact O-CD1 3.18Å; G296-I328 PolarHBondContact N-O 3.02Å; G296-S330 WeakPolarHBondContact O-CB 3.45Å; G296-S330 PolarHBondContact O-N 3.36Å; G296-S330 PolarHBondContact O-OG 3.38Å
297K89.9Confident89.7Confident4 Ų435.1 Ų35.12%0.01718%0.183CC..SBendtrans-103.9-24.8172.7-65.5169.9-172-176.80112.8Y305 G354 R356 M361 L380K297-Y305 PolarHBondContact N-OH 2.74Å; K297-G354 PolarHBondContact NZ-O 2.86Å; K297-R356 WeakPolarHBondContact CD-O 3.44Å; K297-R356 WeakPolarHBondContact CE-O 3.27Å; K297-R356 WeakPolarHBondContact CG-O 3.22Å; K297-R356 PolarHBondContact NZ-O 3.23Å; K297-R356 PolarHBondContact O-NH2 3.18Å; K297-M361 HydrophobicContact CD-CE 4.24Å; K297-M361 HydrophobicContact CG-CE 3.66Å; K297-M361 HydrophobicContact CG-SD 4.43Å; K297-L380 HydrophobicContact CD-CD2 4.41Å; K297-L380 VanDerWaalsContact CE-CD2 3.48Å
298Y87.9Confident90.8Very high31 Ų3132.4 Ų32.412%0.12217%0.167CC..  trans-113.955-168.1-46.5-54.2000111.3P54 I55 Y305 F353P54-Y298 HydrophobicContact CB-CD2 4.21Å; P54-Y298 HydrophobicContact CB-CG 4.38Å; P54-Y298 HydrophobicContact CG-CD2 4.46Å; P54-Y298 HydrophobicContact CG-CE2 4.37Å; I55-Y298 HydrophobicContact CD1-CD1 3.91Å; I55-Y298 HydrophobicContact CG1-CD1 3.74Å; I55-Y298 HydrophobicContact CG1-CG 4.27Å; Y298-Y305 HydrophobicContact CD2-CE1 4.35Å; Y298-Y305 HydrophobicContact CD2-CE2 4.45Å; Y298-Y305 AromaticContact CD2-CZ 3.83Å; Y298-Y305 WeakPolarHBondContact CD2-OH 2.98Å; Y298-Y305 PolarHBondContact N-OH 3.17Å; Y298-F353 PolarHBondContact OH-N 2.71Å; Y298-F353 PolarHBondContact OH-O 3.03Å; Y298-F353 VanDerWaalsContact OH-O 3.09Å
299I87.5Confident92Very high24 Ų2432.3 Ų32.312%0.12316%0.164CC..  trans-94.1-19.5-163.4-43.2-159.4000112.8G296 L301 L327 I328 D329G296-I299 WeakPolarHBondContact O-CD1 3.18Å; I299-L301 PolarHBondContact O-N 3.02Å; I299-L327 HydrophobicContact CG2-CB 3.45Å; I299-L327 VanDerWaalsContact CG2-CB 3.45Å; I299-L327 HydrophobicContact CG2-CD1 4.1Å; I299-L327 HydrophobicContact CG2-CD2 4.35Å; I299-L327 HydrophobicContact CG2-CG 4.18Å; I299-I328 WeakPolarHBondContact CD1-O 3.24Å; I299-D329 HydrophobicContact CD1-CB 4.21Å; I299-D329 VanDerWaalsContact CD1-N 3.3Å
300E85.5Confident92.5Very high165 Ų16526.7 Ų26.777%0.77114%0.138SC*.SBendtrans-57.1-32.7174-63-178.1169.400112.3
301L87.4Confident93.1Very high48 Ų4825.4 Ų25.425%0.25113%0.13SC..SBendtrans-118.1103.1174.2-175.865.2000110I55 I299 D303 A304I55-L301 VanDerWaalsContact O-CD2 3.24Å; I55-L301 WeakPolarHBondContact O-CD2 3.33Å; I299-L301 PolarHBondContact O-N 3.02Å; L301-D303 HydrophobicContact CD1-CB 4.44Å; L301-D303 HydrophobicContact CD2-CB 4.45Å; L301-D303 HydrophobicContact CG-CB 4.15Å; L301-D303 PolarHBondContact O-N 2.92Å; L301-D303 VanDerWaalsContact O-N 3.11Å; L301-A304 VanDerWaalsContact O-CB 3.24Å; L301-A304 WeakPolarHBondContact O-CB 3.45Å; L301-A304 PolarHBondContact O-N 3.3Å
302P89.1Confident93.2Very high57 Ų5723.4 Ų23.437%0.3712%0.118SC..G310 helixtrans-55.9-29.6178.9-28.135.7000114.2A304 Y305 I309 L327P302-A304 PolarHBondContact O-N 3.36Å; P302-A304 VanDerWaalsContact O-N 3.16Å; P302-Y305 CarbonylContact O-C 3.59Å; P302-Y305 PolarHBondContact O-N 2.79Å; P302-I309 HydrophobicContact CB-CD1 4.05Å; P302-I309 WeakPolarHBondContact O-CD1 3.33Å; P302-L327 HydrophobicContact CB-CD1 4.3Å; P302-L327 HydrophobicContact CG-CD1 4.03Å
303D89.9Confident93.2Very high59 Ų5927.2 Ų27.232%0.31613%0.134SC..G310 helixtrans-65-15.3177.9-73.4-20.5000113.3G58 E59 L301 Y305 K306G58-D303 CarbonylContact C-O 3.53Å; G58-D303 WeakPolarHBondContact CA-O 3.25Å; E59-D303 PolarHBondContact N-O 3.3Å; L301-D303 HydrophobicContact CD1-CB 4.44Å; L301-D303 HydrophobicContact CD2-CB 4.45Å; L301-D303 HydrophobicContact CG-CB 4.15Å; L301-D303 PolarHBondContact O-N 2.92Å; L301-D303 VanDerWaalsContact O-N 3.11Å; D303-Y305 PolarHBondContact O-N 3.2Å; D303-K306 WeakPolarHBondContact O-CB 3.4Å; D303-K306 PolarHBondContact O-N 2.73Å; D303-K306 WeakPolarHBondContact OD1-CD 3.16Å; D303-K306 IonicContact OD1-NZ 3.7Å; D303-K306 PolarHBondContact OD1-NZ 3Å
304A91.8Very high93.2Very high9 Ų927.2 Ų27.27%0.07414%0.135CC..G310 helixtrans-62.8-1817000000113.1P54 L301 P302P54-A304 HydrophobicContact CB-CB 3.96Å; P54-A304 WeakPolarHBondContact O-CB 3.46Å; L301-A304 VanDerWaalsContact O-CB 3.24Å; L301-A304 WeakPolarHBondContact O-CB 3.45Å; L301-A304 PolarHBondContact O-N 3.3Å; P302-A304 PolarHBondContact O-N 3.36Å; P302-A304 VanDerWaalsContact O-N 3.16Å
305Y95Very high92.9Very high11 Ų1127.2 Ų27.24%0.04313%0.134CC..G310 helixtrans-127.432.6178.9-63.2-64000111.3M294 K297 Y298 P302 D303 S307 V308 I309 P350 G351M294-Y305 HydrophobicContact CE-CD1 4.49Å; M294-Y305 HydrophobicContact CE-CD2 3.33Å; M294-Y305 HydrophobicContact CE-CE2 4.11Å; M294-Y305 HydrophobicContact CE-CG 3.55Å; M294-Y305 HydrophobicContact SD-CG 4.37Å; K297-Y305 PolarHBondContact N-OH 2.74Å; Y298-Y305 HydrophobicContact CD2-CE1 4.35Å; Y298-Y305 HydrophobicContact CD2-CE2 4.45Å; Y298-Y305 AromaticContact CD2-CZ 3.83Å; Y298-Y305 WeakPolarHBondContact CD2-OH 2.98Å; Y298-Y305 PolarHBondContact N-OH 3.17Å; P302-Y305 CarbonylContact O-C 3.59Å; P302-Y305 PolarHBondContact O-N 2.79Å; D303-Y305 PolarHBondContact O-N 3.2Å; Y305-S307 PolarHBondContact O-N 2.57Å; Y305-V308 PolarHBondContact O-N 3.43Å; Y305-V308 VanDerWaalsContact O-N 3.17Å; Y305-I309 WeakPolarHBondContact O-CG1 3.35Å; Y305-I309 PolarHBondContact O-N 2.77Å; Y305-P350 HydrophobicContact CD1-CB 3.67Å; Y305-P350 HydrophobicContact CD1-CG 3.76Å; Y305-P350 HydrophobicContact CE1-CB 3.51Å; Y305-P350 HydrophobicContact CE1-CG 3.31Å; Y305-P350 HydrophobicContact CE2-CG 4.33Å; Y305-P350 HydrophobicContact CG-CG 4.44Å; Y305-G351 WeakPolarHBondContact CE1-O 3.43Å
306K94.5Very high92.5Very high45 Ų4527.2 Ų27.220%0.19614%0.135CC..Hα-helixtrans-55.6-51.9-170.7-172.359.5155.1-147.40112.7E59 D303 V308 I309 E310E59-K306 HydrophobicContact CG-CB 4.1Å; E59-K306 PolarHBondContact OE2-N 3.26Å; D303-K306 WeakPolarHBondContact O-CB 3.4Å; D303-K306 PolarHBondContact O-N 2.73Å; D303-K306 WeakPolarHBondContact OD1-CD 3.16Å; D303-K306 IonicContact OD1-NZ 3.7Å; D303-K306 PolarHBondContact OD1-NZ 3Å; K306-V308 VanDerWaalsContact C-N 3.33Å; K306-V308 PolarHBondContact O-N 3.18Å; K306-I309 PolarHBondContact O-N 3.31Å; K306-E310 WeakPolarHBondContact O-CG 3.27Å; K306-E310 PolarHBondContact O-N 3.04Å
307S96.7Very high92.3Very high0 Ų027.9 Ų27.90%014%0.138CC..Hα-helixtrans-65.3-36.7-179.8-71.40000111.6E59 R78 Y305 E310 A311E59-S307 WeakPolarHBondContact OE1-CB 3.34Å; E59-S307 PolarHBondContact OE1-N 3.12Å; E59-S307 PolarHBondContact OE1-OG 3.04Å; E59-S307 VanDerWaalsContact OE2-CB 3.3Å; E59-S307 WeakPolarHBondContact OE2-CB 3.06Å; E59-S307 PolarHBondContact OE2-N 3.11Å; E59-S307 PolarHBondContact OE2-OG 2.97Å; R78-S307 PolarHBondContact NH1-OG 3.2Å; Y305-S307 PolarHBondContact O-N 2.57Å; S307-E310 PolarHBondContact O-N 3.22Å; S307-A311 WeakPolarHBondContact O-CB 3.35Å; S307-A311 PolarHBondContact O-N 2.64Å
308V97Very high92.1Very high2 Ų230.8 Ų30.81%0.01215%0.151CC..Hα-helixtrans-63.7-46175.6179.70000110.9M294 Y305 K306 A311 L312 L348 P350 I378 E517M294-V308 HydrophobicContact SD-CB 4.45Å; M294-V308 HydrophobicContact SD-CG1 3.84Å; Y305-V308 PolarHBondContact O-N 3.43Å; Y305-V308 VanDerWaalsContact O-N 3.17Å; K306-V308 VanDerWaalsContact C-N 3.33Å; K306-V308 PolarHBondContact O-N 3.18Å; V308-A311 PolarHBondContact O-N 2.66Å; V308-L312 HydrophobicContact CG1-CD1 4.48Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.1Å; V308-L348 HydrophobicContact CG1-CD1 3.85Å; V308-L348 HydrophobicContact CG1-CD2 3.8Å; V308-P350 HydrophobicContact CG2-CB 4.39Å; V308-I378 HydrophobicContact CG2-CD1 4.44Å; V308-E517 HydrophobicContact CG2-CB 4.02Å; V308-E517 HydrophobicContact CG2-CG 3.7Å
309I96.2Very high91.6Very high20 Ų2030.7 Ų30.710%0.10315%0.152CC..Hα-helixtrans-61.4-45.3178.1-72.7169000110.7M294 P302 Y305 K306 K313 I325M294-I309 HydrophobicContact SD-CG1 4.22Å; P302-I309 HydrophobicContact CB-CD1 4.05Å; P302-I309 WeakPolarHBondContact O-CD1 3.33Å; Y305-I309 WeakPolarHBondContact O-CG1 3.35Å; Y305-I309 PolarHBondContact O-N 2.77Å; K306-I309 PolarHBondContact O-N 3.31Å; I309-K313 WeakPolarHBondContact O-CG 3.12Å; I309-K313 PolarHBondContact O-N 2.69Å; I309-I325 HydrophobicContact CB-CD1 4.26Å; I309-I325 HydrophobicContact CG1-CD1 4.33Å; I309-I325 HydrophobicContact CG2-CD1 3.82Å
310E96.1Very high91.3Very high11 Ų1133.5 Ų33.55%0.05116%0.161CC..Hα-helixtrans-66.4-41.2176.8-65.3-51.212800111.3Y245 K306 S307 L312 K313 H314Y245-E310 PolarHBondContact OH-OE2 2.76Å; K306-E310 WeakPolarHBondContact O-CG 3.27Å; K306-E310 PolarHBondContact O-N 3.04Å; S307-E310 PolarHBondContact O-N 3.22Å; E310-L312 VanDerWaalsContact C-N 3.35Å; E310-L312 PolarHBondContact O-N 2.81Å; E310-K313 CarbonylContact O-C 3.34Å; E310-K313 WeakPolarHBondContact O-CB 3.17Å; E310-K313 PolarHBondContact O-N 2.84Å; E310-K313 VanDerWaalsContact O-N 3.09Å; E310-K313 IonicContact OE1-NZ 3.58Å; E310-K313 PolarHBondContact OE1-NZ 3.02Å; E310-K313 IonicContact OE2-NZ 2.67Å; E310-H314 PolarHBondContact O-CD2 2.94Å; E310-H314 PolarHBondContact O-N 3.09Å; E310-H314 PolarHBondContact O-ND1 3.1Å; E310-H314 PolarHBondContact O-NE2 3.17Å
311A97.2Very high91.1Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-62.9-37.6178.100000113.3S307 V308 H314 G315 E517 S520 F529S307-A311 WeakPolarHBondContact O-CB 3.35Å; S307-A311 PolarHBondContact O-N 2.64Å; V308-A311 PolarHBondContact O-N 2.66Å; A311-H314 PolarHBondContact O-N 2.94Å; A311-G315 PolarHBondContact O-N 3.32Å; A311-E517 HydrophobicContact CB-CB 4.01Å; A311-S520 WeakPolarHBondContact CA-OG 3.4Å; A311-S520 WeakPolarHBondContact CB-OG 3.43Å; A311-F529 HydrophobicContact CB-CD1 3.82Å; A311-F529 HydrophobicContact CB-CD2 3.84Å; A311-F529 HydrophobicContact CB-CE1 3.63Å; A311-F529 HydrophobicContact CB-CE2 3.63Å; A311-F529 HydrophobicContact CB-CG 3.92Å; A311-F529 HydrophobicContact CB-CZ 3.54Å
312L95.9Very high91.2Very high1 Ų126 Ų261%0.00513%0.131CC..Hα-helixtrans-61.2-45.9170.7-76.9172.1000111.4I292 V308 E310 H314 G315 G316 V323 I325 L348 F529 F532I292-L312 HydrophobicContact CD1-CD2 3.86Å; I292-L312 HydrophobicContact CG2-CD1 4.42Å; I292-L312 HydrophobicContact CG2-CD2 4.17Å; V308-L312 HydrophobicContact CG1-CD1 4.48Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.1Å; E310-L312 VanDerWaalsContact C-N 3.35Å; E310-L312 PolarHBondContact O-N 2.81Å; L312-H314 VanDerWaalsContact C-N 3.29Å; L312-H314 PolarHBondContact O-N 3.46Å; L312-G315 PolarHBondContact O-N 3Å; L312-G316 PolarHBondContact O-N 3.26Å; L312-G316 VanDerWaalsContact O-N 3.09Å; L312-V323 HydrophobicContact CB-CG1 4.38Å; L312-I325 HydrophobicContact CB-CD1 4.02Å; L312-I325 HydrophobicContact CB-CG1 4.47Å; L312-I325 HydrophobicContact CD1-CD1 3.98Å; L312-I325 HydrophobicContact CD1-CG1 4.04Å; L312-I325 HydrophobicContact CD1-CG2 4.38Å; L312-L348 HydrophobicContact CD1-CD1 4.13Å; L312-L348 HydrophobicContact CD2-CD1 3.82Å; L312-L348 HydrophobicContact CG-CD1 4.06Å; L312-F529 HydrophobicContact CD2-CD1 4.03Å; L312-F529 HydrophobicContact CD2-CE1 4.3Å; L312-F529 HydrophobicContact CG-CD1 4.25Å; L312-F529 HydrophobicContact CG-CE1 4.23Å; L312-F532 HydrophobicContact CD2-CD1 4.36Å; L312-F532 HydrophobicContact CD2-CE1 4.4Å
313K94.4Very high91.3Very high83 Ų8324.2 Ų24.236%0.36112%0.119SC..Hα-helixtrans-61.1-39.6174.4-65.8172.3-172.2168.60111.6I309 E310 G315 G316 L317I309-K313 WeakPolarHBondContact O-CG 3.12Å; I309-K313 PolarHBondContact O-N 2.69Å; E310-K313 CarbonylContact O-C 3.34Å; E310-K313 WeakPolarHBondContact O-CB 3.17Å; E310-K313 PolarHBondContact O-N 2.84Å; E310-K313 VanDerWaalsContact O-N 3.09Å; E310-K313 IonicContact OE1-NZ 3.58Å; E310-K313 PolarHBondContact OE1-NZ 3.02Å; E310-K313 IonicContact OE2-NZ 2.67Å; K313-G315 VanDerWaalsContact C-N 3.33Å; K313-G315 PolarHBondContact O-N 2.94Å; K313-G316 CarbonylContact O-C 3.5Å; K313-G316 WeakPolarHBondContact O-CA 3.29Å; K313-G316 PolarHBondContact O-N 3.06Å; K313-G316 VanDerWaalsContact O-N 3.14Å; K313-L317 WeakPolarHBondContact O-CG 3.2Å; K313-L317 PolarHBondContact O-N 3.13Å
314H95.6Very high91.5Very high1 Ų124.2 Ų24.21%0.00512%0.119CC..Hα-helixtrans-63.8-38.6177.5-53.8160.4000111.9E310 A311 L312 G316 L317 K318 S520 T521 P522E310-H314 PolarHBondContact O-CD2 2.94Å; E310-H314 PolarHBondContact O-N 3.09Å; E310-H314 PolarHBondContact O-ND1 3.1Å; E310-H314 PolarHBondContact O-NE2 3.17Å; A311-H314 PolarHBondContact O-N 2.94Å; L312-H314 VanDerWaalsContact C-N 3.29Å; L312-H314 PolarHBondContact O-N 3.46Å; H314-G316 VanDerWaalsContact C-N 3.31Å; H314-L317 PolarHBondContact O-N 3.23Å; H314-K318 WeakPolarHBondContact O-CG 3.41Å; H314-K318 PolarHBondContact O-N 3.34Å; H314-K318 VanDerWaalsContact O-N 3.12Å; H314-S520 PolarHBondContact ND1-OG 3.42Å; H314-T521 VanDerWaalsContact CE1-C 3.5Å; H314-T521 VanDerWaalsContact ND1-C 3.27Å; H314-T521 PolarHBondContact ND1-N 2.88Å; H314-T521 PolarHBondContact ND1-O 3.3Å; H314-P522 WeakPolarHBondContact NE2-CD 3.47Å
315G91.2Very high91.7Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-52.8-53.2168.700000110.6A311 L312 K313 L317 K318 N319 E533A311-G315 PolarHBondContact O-N 3.32Å; L312-G315 PolarHBondContact O-N 3Å; K313-G315 VanDerWaalsContact C-N 3.33Å; K313-G315 PolarHBondContact O-N 2.94Å; G315-L317 VanDerWaalsContact C-N 3.33Å; G315-L317 PolarHBondContact O-N 2.93Å; G315-K318 PolarHBondContact O-N 3.27Å; G315-N319 PolarHBondContact O-N 3.47Å; G315-N319 VanDerWaalsContact O-N 3.1Å; G315-N319 PolarHBondContact O-ND2 2.85Å; G315-N319 VanDerWaalsContact O-ND2 3.08Å; G315-E533 VanDerWaalsContact C-CD 3.46Å
316G89.5Confident91.8Very high1 Ų129.7 Ų29.71%0.0114%0.143CC..Hα-helixtrans-54.1-45.3176.500000113.4L312 K313 H314 K318 N319 R320 V321 E533L312-G316 PolarHBondContact O-N 3.26Å; L312-G316 VanDerWaalsContact O-N 3.09Å; K313-G316 CarbonylContact O-C 3.5Å; K313-G316 WeakPolarHBondContact O-CA 3.29Å; K313-G316 PolarHBondContact O-N 3.06Å; K313-G316 VanDerWaalsContact O-N 3.14Å; H314-G316 VanDerWaalsContact C-N 3.31Å; G316-K318 PolarHBondContact O-N 2.91Å; G316-N319 CarbonylContact O-C 3.54Å; G316-N319 PolarHBondContact O-N 3.05Å; G316-R320 CarbonylContact O-C 3.45Å; G316-R320 WeakPolarHBondContact O-CA 3.3Å; G316-R320 PolarHBondContact O-N 3.04Å; G316-V321 CarbonylContact C-O 3.59Å; G316-V321 VanDerWaalsContact CA-O 3.26Å; G316-V321 WeakPolarHBondContact CA-O 3.3Å; G316-V321 PolarHBondContact O-N 3.46Å; G316-E533 WeakPolarHBondContact CA-OE1 3.46Å; G316-E533 VanDerWaalsContact CA-OE2 3.25Å; G316-E533 WeakPolarHBondContact CA-OE2 3.31Å; G316-E533 PolarHBondContact N-OE1 3.39Å; G316-E533 PolarHBondContact N-OE2 3.45Å; G316-E533 VanDerWaalsContact N-OE2 3.14Å
317L89.8Confident91.8Very high13 Ų1330.5 Ų30.57%0.06815%0.149CC..Hα-helixtrans-57.4-47.8176.4-66.2175.7000111.7Y245 V279 E282 E283 K313 H314 G315 N319 R320 P522Y245-L317 HydrophobicContact CE2-CD1 4.32Å; V279-L317 HydrophobicContact CG1-CD1 4.03Å; E282-L317 HydrophobicContact CB-CB 4.27Å; E282-L317 HydrophobicContact CB-CD2 4.05Å; E283-L317 VanDerWaalsContact CA-CD2 3.43Å; E283-L317 HydrophobicContact CB-CD2 3.5Å; E283-L317 HydrophobicContact CG-CD2 4.12Å; K313-L317 WeakPolarHBondContact O-CG 3.2Å; K313-L317 PolarHBondContact O-N 3.13Å; H314-L317 PolarHBondContact O-N 3.23Å; G315-L317 VanDerWaalsContact C-N 3.33Å; G315-L317 PolarHBondContact O-N 2.93Å; L317-N319 VanDerWaalsContact C-N 3.26Å; L317-N319 PolarHBondContact O-N 2.83Å; L317-R320 PolarHBondContact O-N 3.2Å; L317-P522 HydrophobicContact CD1-CB 4.09Å
318K86.9Confident91.8Very high65 Ų6531 Ų3128%0.28315%0.151SC..Hα-helixtrans-69.8-21.9-177.2-60-57.8152.8-1480113.9E282 H314 G315 G316 P522 R523 A530E282-K318 IonicContact OE1-NZ 3.67Å; E282-K318 IonicContact OE2-NZ 2.7Å; E282-K318 PolarHBondContact OE2-NZ 3.43Å; H314-K318 WeakPolarHBondContact O-CG 3.41Å; H314-K318 PolarHBondContact O-N 3.34Å; H314-K318 VanDerWaalsContact O-N 3.12Å; G315-K318 PolarHBondContact O-N 3.27Å; G316-K318 PolarHBondContact O-N 2.91Å; K318-P522 WeakPolarHBondContact CE-O 3.41Å; K318-P522 PolarHBondContact NZ-O 3.4Å; K318-R523 VanDerWaalsContact CE-O 3.24Å; K318-R523 WeakPolarHBondContact CE-O 3.46Å; K318-R523 PolarHBondContact NZ-O 3.19Å; K318-A530 HydrophobicContact CB-CB 4.34Å
319N77.1Confident91.7Very high29 Ų2932.5 Ų32.516%0.15516%0.16CC..Hα-helixtrans-1042.3174.9-64.7-69.7000113.5G315 G316 L317 V321 A530 E533 M536G315-N319 PolarHBondContact O-N 3.47Å; G315-N319 VanDerWaalsContact O-N 3.1Å; G315-N319 PolarHBondContact O-ND2 2.85Å; G315-N319 VanDerWaalsContact O-ND2 3.08Å; G316-N319 CarbonylContact O-C 3.54Å; G316-N319 PolarHBondContact O-N 3.05Å; L317-N319 VanDerWaalsContact C-N 3.26Å; L317-N319 PolarHBondContact O-N 2.83Å; N319-V321 HydrophobicContact CB-CG2 3.74Å; N319-A530 PolarHBondContact ND2-O 3.3Å; N319-E533 HydrophobicContact CB-CB 4.37Å; N319-E533 WeakPolarHBondContact CB-OE2 3.42Å; N319-E533 WeakPolarHBondContact ND2-CB 3.34Å; N319-E533 PolarHBondContact ND2-OE2 3.41Å; N319-M536 HydrophobicContact CB-CE 4.07Å; N319-M536 WeakPolarHBondContact O-CE 3.11Å
320R81.3Confident91.7Very high83 Ų8331.6 Ų31.631%0.31316%0.155SC..THydrogen-bonded Turntrans5151.3-170.3-68.3-164.650.2180-20.7113.2N285 P286 V287 G316 L317N285-R320 VanDerWaalsContact CB-NH2 3.31Å; N285-R320 PolarHBondContact O-NE 3.21Å; N285-R320 PolarHBondContact O-NH2 2.89Å; P286-R320 CarbonylContact C-O 3.49Å; P286-R320 WeakPolarHBondContact CA-O 3.33Å; V287-R320 HydrophobicContact CG2-CB 4.05Å; V287-R320 PolarHBondContact N-O 2.86Å; G316-R320 CarbonylContact O-C 3.45Å; G316-R320 WeakPolarHBondContact O-CA 3.3Å; G316-R320 PolarHBondContact O-N 3.04Å; L317-R320 PolarHBondContact O-N 3.2Å
321V81Confident91.6Very high9 Ų934.2 Ų34.26%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-119.8136.4178.3-170.80000110S288 V290 G316 N319 M536S288-V321 WeakPolarHBondContact O-CA 3.23Å; S288-V321 WeakPolarHBondContact OG-CG2 3.24Å; V290-V321 HydrophobicContact CB-CG1 4.15Å; V290-V321 HydrophobicContact CG1-CG1 3.75Å; V290-V321 HydrophobicContact CG2-CG1 3.59Å; G316-V321 CarbonylContact C-O 3.59Å; G316-V321 VanDerWaalsContact CA-O 3.26Å; G316-V321 WeakPolarHBondContact CA-O 3.3Å; G316-V321 PolarHBondContact O-N 3.46Å; N319-V321 HydrophobicContact CB-CG2 3.74Å; V321-M536 HydrophobicContact CG2-CE 3.08Å; V321-M536 HydrophobicContact CG2-CG 4.48Å; V321-M536 HydrophobicContact CG2-SD 3.29Å; V321-M536 WeakPolarHBondContact CG2-SD 3.21Å
322S88.9Confident91.5Very high46 Ų4637.2 Ų37.232%0.32218%0.183SC..EExtended strand (participates in β ladder)trans-79.7116.5165.5-174.50000109.7S288 E289 V290S288-S322 PolarHBondContact O-N 3.18Å; E289-S322 VanDerWaalsContact CA-O 3.31Å; E289-S322 WeakPolarHBondContact CA-O 3.29Å; V290-S322 PolarHBondContact N-O 3.49Å
323V91.9Very high91.4Very high21 Ų2137.3 Ų37.313%0.12718%0.184CC..EExtended strand (participates in β ladder)trans-97111-177.9-1780000110.7V290 I292 L312 I325 E533V290-V323 HydrophobicContact CG2-CG2 4.14Å; I292-V323 HydrophobicContact CB-CG1 4.41Å; I292-V323 HydrophobicContact CD1-CG1 3.64Å; I292-V323 HydrophobicContact CG1-CG1 4.02Å; L312-V323 HydrophobicContact CB-CG1 4.38Å; V323-I325 HydrophobicContact CG1-CG1 3.98Å; V323-E533 WeakPolarHBondContact CG2-OE1 3.39Å
324N94.5Very high91.3Very high59 Ų5937.2 Ų37.232%0.31619%0.185SC..EExtended strand (participates in β ladder)trans-87.7109.2171.3-66.5-45.8000110.6E289 V290 T291 I292 K326E289-N324 WeakPolarHBondContact CG-ND2 3.39Å; E289-N324 PolarHBondContact OE1-ND2 3.01Å; V290-N324 WeakPolarHBondContact O-CB 3.49Å; V290-N324 PolarHBondContact O-N 2.95Å; T291-N324 CarbonylContact C-O 3.6Å; T291-N324 WeakPolarHBondContact CA-O 3.29Å; T291-N324 HydrophobicContact CG2-CB 4.48Å; I292-N324 PolarHBondContact N-O 3.24Å; N324-K326 PolarHBondContact O-N 3.31Å
325I95.2Very high91.1Very high42 Ų4242.4 Ų42.422%0.21522%0.216CC..EExtended strand (participates in β ladder)trans-89.4108.8-178.9-56.4167.6000109.3M294 I309 L312 V323 L327M294-I325 HydrophobicContact CB-CG2 4.04Å; I309-I325 HydrophobicContact CB-CD1 4.26Å; I309-I325 HydrophobicContact CG1-CD1 4.33Å; I309-I325 HydrophobicContact CG2-CD1 3.82Å; L312-I325 HydrophobicContact CB-CD1 4.02Å; L312-I325 HydrophobicContact CB-CG1 4.47Å; L312-I325 HydrophobicContact CD1-CD1 3.98Å; L312-I325 HydrophobicContact CD1-CG1 4.04Å; L312-I325 HydrophobicContact CD1-CG2 4.38Å; V323-I325 HydrophobicContact CG1-CG1 3.98Å; I325-L327 HydrophobicContact CG2-CD2 4Å; I325-L327 PolarHBondContact O-N 2.97Å
326K96.1Very high91.2Very high92 Ų9250.5 Ų50.540%0.425%0.247SC..EExtended strand (participates in β ladder)trans-89.5104.7171.6-171.1-179.2174.6-165.10109.3T291 I292 G293 M294 N324 I328 I340 L344T291-K326 HydrophobicContact CG2-CB 4.22Å; I292-K326 PolarHBondContact O-N 2.84Å; G293-K326 CarbonylContact C-O 3.51Å; G293-K326 WeakPolarHBondContact CA-O 3.42Å; M294-K326 PolarHBondContact N-O 3.38Å; N324-K326 PolarHBondContact O-N 3.31Å; K326-I328 HydrophobicContact CD-CD1 4.09Å; K326-I328 HydrophobicContact CD-CG1 4.3Å; K326-I328 HydrophobicContact CG-CD1 4.21Å; K326-I328 HydrophobicContact CG-CG1 3.98Å; K326-I340 PolarHBondContact NZ-O 3.49Å; K326-I340 VanDerWaalsContact NZ-O 3.09Å; K326-L344 HydrophobicContact CB-CD2 4.24Å; K326-L344 HydrophobicContact CD-CD2 3.91Å
327L96.1Very high91.3Very high62 Ų6251.8 Ų51.833%0.32526%0.261SS..EExtended strand (participates in β ladder)trans-72.5120.5175.3-69.4-172.7000110.8M294 I299 P302 I325M294-L327 HydrophobicContact CB-CD2 4.23Å; M294-L327 HydrophobicContact CE-CD2 3.23Å; M294-L327 HydrophobicContact SD-CD2 4.2Å; I299-L327 HydrophobicContact CG2-CB 3.45Å; I299-L327 VanDerWaalsContact CG2-CB 3.45Å; I299-L327 HydrophobicContact CG2-CD1 4.1Å; I299-L327 HydrophobicContact CG2-CD2 4.35Å; I299-L327 HydrophobicContact CG2-CG 4.18Å; P302-L327 HydrophobicContact CB-CD1 4.3Å; P302-L327 HydrophobicContact CG-CD1 4.03Å; I325-L327 HydrophobicContact CG2-CD2 4Å; I325-L327 PolarHBondContact O-N 2.97Å
328I96.4Very high91.5Very high10 Ų1053.5 Ų53.55%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-132121-172.5-61.1171.6000111.7M294 V295 G296 I299 K326 S330 V333 I340 L341 L344M294-I328 PolarHBondContact O-N 2.77Å; V295-I328 VanDerWaalsContact CA-O 3.29Å; V295-I328 WeakPolarHBondContact CA-O 3.5Å; V295-I328 HydrophobicContact CG2-CB 4.18Å; V295-I328 HydrophobicContact CG2-CD1 4.47Å; V295-I328 HydrophobicContact CG2-CG2 4.41Å; G296-I328 PolarHBondContact N-O 3.02Å; I299-I328 WeakPolarHBondContact CD1-O 3.24Å; K326-I328 HydrophobicContact CD-CD1 4.09Å; K326-I328 HydrophobicContact CD-CG1 4.3Å; K326-I328 HydrophobicContact CG-CD1 4.21Å; K326-I328 HydrophobicContact CG-CG1 3.98Å; I328-S330 PolarHBondContact O-N 3.17Å; I328-V333 HydrophobicContact CG2-CG2 4.25Å; I328-I340 HydrophobicContact CG2-CD1 3.7Å; I328-I340 HydrophobicContact CG2-CG1 4.17Å; I328-L341 HydrophobicContact CD1-CD2 4.1Å; I328-L341 HydrophobicContact CG2-CD2 4.39Å; I328-L344 HydrophobicContact CD1-CD1 3.84Å; I328-L344 HydrophobicContact CD1-CD2 4.47Å
329D95.2Very high91.8Very high35 Ų3556.1 Ų56.119%0.18728%0.284CS..EExtended strand (participates in β ladder)trans-69.3126-179.1-161.5-38.4000110.7I299 Q331 D332 V333I299-D329 HydrophobicContact CD1-CB 4.21Å; I299-D329 VanDerWaalsContact CD1-N 3.3Å; D329-Q331 PolarHBondContact O-N 3.47Å; D329-Q331 PolarHBondContact OD1-N 3.27Å; D329-D332 HydrophobicContact CB-CB 4.27Å; D329-D332 WeakPolarHBondContact O-CB 3.42Å; D329-D332 PolarHBondContact O-N 2.68Å; D329-V333 PolarHBondContact O-N 2.83Å
330S95Very high92.6Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-54-33.717357.70000113.3G296 I328 D332 V333 E334 G357 G360G296-S330 WeakPolarHBondContact O-CB 3.45Å; G296-S330 PolarHBondContact O-N 3.36Å; G296-S330 PolarHBondContact O-OG 3.38Å; I328-S330 PolarHBondContact O-N 3.17Å; S330-D332 VanDerWaalsContact C-N 3.32Å; S330-D332 PolarHBondContact O-N 3.38Å; S330-V333 WeakPolarHBondContact O-CB 3.48Å; S330-V333 PolarHBondContact O-N 3.29Å; S330-E334 PolarHBondContact O-N 3.25Å; S330-G357 VanDerWaalsContact CB-O 3.26Å; S330-G357 WeakPolarHBondContact CB-O 3.47Å; S330-G357 WeakPolarHBondContact OG-CA 3.43Å; S330-G357 PolarHBondContact OG-O 2.93Å; S330-G360 WeakPolarHBondContact O-CA 3.29Å
331Q94.4Very high93.3Very high66 Ų6652 Ų5231%0.30827%0.269SS..Hα-helixtrans-70.8-27.5175.3-58.6-163.9-94.400112.9D329 V333 E334 T335 R356D329-Q331 PolarHBondContact O-N 3.47Å; D329-Q331 PolarHBondContact OD1-N 3.27Å; Q331-V333 VanDerWaalsContact C-N 3.29Å; Q331-E334 PolarHBondContact O-N 3.01Å; Q331-T335 WeakPolarHBondContact O-CG2 3.26Å; Q331-T335 PolarHBondContact O-N 3.14Å; Q331-T335 PolarHBondContact O-OG1 2.68Å; Q331-R356 HydrophobicContact CG-CG 4.29Å
332D94.4Very high93.8Very high64 Ų6456.9 Ų56.934%0.34229%0.289SS..Hα-helixtrans-68-32.9172.6-83.11.2000110.8D329 S330 E334 T335 R336 I340D329-D332 HydrophobicContact CB-CB 4.27Å; D329-D332 WeakPolarHBondContact O-CB 3.42Å; D329-D332 PolarHBondContact O-N 2.68Å; S330-D332 VanDerWaalsContact C-N 3.32Å; S330-D332 PolarHBondContact O-N 3.38Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-T335 PolarHBondContact O-N 3.13Å; D332-R336 WeakPolarHBondContact O-CA 3.24Å; D332-R336 WeakPolarHBondContact O-CB 3.46Å; D332-R336 PolarHBondContact O-N 2.8Å; D332-I340 HydrophobicContact CB-CD1 3.79Å
333V95.2Very high93.7Very high2 Ų258.1 Ų58.11%0.01231%0.309CS..Hα-helixtrans-64.5-40.6173.8-174.60000110.6V295 I328 D329 S330 Q331 G337 I340 L341 T363V295-V333 HydrophobicContact CG1-CG2 4.04Å; I328-V333 HydrophobicContact CG2-CG2 4.25Å; D329-V333 PolarHBondContact O-N 2.83Å; S330-V333 WeakPolarHBondContact O-CB 3.48Å; S330-V333 PolarHBondContact O-N 3.29Å; Q331-V333 VanDerWaalsContact C-N 3.29Å; V333-G337 WeakPolarHBondContact O-CA 3.38Å; V333-G337 PolarHBondContact O-N 2.92Å; V333-I340 HydrophobicContact CB-CD1 4.34Å; V333-I340 HydrophobicContact CG2-CD1 3.74Å; V333-I340 HydrophobicContact CG2-CG1 4.27Å; V333-L341 HydrophobicContact CG1-CD1 4.27Å; V333-L341 HydrophobicContact CG2-CD2 4.18Å; V333-T363 HydrophobicContact CG1-CG2 4.08Å
334E91.6Very high93.7Very high82 Ų8257.7 Ų57.738%0.38331%0.306SS..Hα-helixtrans-64.1-42.4177.2-63.5175.6178.300112.1S330 Q331 D332 G357 E359 G360S330-E334 PolarHBondContact O-N 3.25Å; Q331-E334 PolarHBondContact O-N 3.01Å; D332-E334 VanDerWaalsContact C-N 3.34Å; E334-G357 WeakPolarHBondContact OE1-CA 3.23Å; E334-E359 HydrophobicContact CG-CB 4.37Å; E334-E359 PolarHBondContact OE1-N 3.44Å; E334-E359 VanDerWaalsContact OE1-N 3.16Å; E334-G360 VanDerWaalsContact CG-CA 3.4Å; E334-G360 PolarHBondContact OE1-N 2.89Å
335T92.5Very high93.3Very high109 Ų10958.7 Ų58.767%0.66931%0.311SS*.Hα-helixtrans-91.4-35.6-170.954.90000113.8Q331 D332Q331-T335 WeakPolarHBondContact O-CG2 3.26Å; Q331-T335 PolarHBondContact O-N 3.14Å; Q331-T335 PolarHBondContact O-OG1 2.68Å; D332-T335 PolarHBondContact O-N 3.13Å
336R91.7Very high93.2Very high170 Ų17057 Ų5764%0.64230%0.303SS*.Hα-helixtrans-102.6-10.7-177.2-54.1177.165.5-176.5-0.3113D332 I340D332-R336 WeakPolarHBondContact O-CA 3.24Å; D332-R336 WeakPolarHBondContact O-CB 3.46Å; D332-R336 PolarHBondContact O-N 2.8Å; R336-I340 HydrophobicContact CB-CG2 4.4Å
337G92.1Very high93.3Very high29 Ų2952.6 Ų52.630%0.29928%0.284SS..  trans79.5-175.8-178.600000113.9V333 E339V333-G337 WeakPolarHBondContact O-CA 3.38Å; V333-G337 PolarHBondContact O-N 2.92Å; G337-E339 PolarHBondContact O-N 3.44Å
338V94.2Very high93.3Very high49 Ų4949.6 Ų49.630%0.29727%0.269SS..G310 helixtrans-72.5-6.8-171.6-62.80000115.2I340 L341 T363 F367V338-I340 PolarHBondContact O-N 3.06Å; V338-I340 VanDerWaalsContact O-N 3.16Å; V338-L341 WeakPolarHBondContact O-CB 3.31Å; V338-L341 PolarHBondContact O-N 3.44Å; V338-T363 HydrophobicContact CG1-CG2 3.6Å; V338-F367 HydrophobicContact CB-CD2 3.77Å; V338-F367 HydrophobicContact CB-CE2 4.17Å; V338-F367 HydrophobicContact CB-CG 4.25Å; V338-F367 HydrophobicContact CG1-CB 4.21Å; V338-F367 HydrophobicContact CG1-CD2 4.11Å; V338-F367 HydrophobicContact CG1-CG 4.34Å; V338-F367 HydrophobicContact CG2-CD2 4.07Å; V338-F367 HydrophobicContact CG2-CE2 4.24Å
339E93.5Very high93.4Very high119 Ų11949.1 Ų49.156%0.55627%0.266SS*.G310 helixtrans-58.9-30.3-179-68.5-61.9140.900112.7G337 L341 K342G337-E339 PolarHBondContact O-N 3.44Å; E339-L341 PolarHBondContact O-N 2.84Å; E339-K342 PolarHBondContact O-N 3.2Å; E339-K342 WeakPolarHBondContact OE1-CE 3.49Å; E339-K342 IonicContact OE1-NZ 3.4Å; E339-K342 PolarHBondContact OE1-NZ 3.14Å; E339-K342 WeakPolarHBondContact OE2-CD 3.5Å; E339-K342 VanDerWaalsContact OE2-CE 3.3Å; E339-K342 WeakPolarHBondContact OE2-CE 3.37Å; E339-K342 IonicContact OE2-NZ 3.29Å; E339-K342 PolarHBondContact OE2-NZ 3.25Å
340I93.9Very high93.5Very high27 Ų2747.5 Ų47.514%0.13826%0.257CS..G310 helixtrans-68.9-18.8178.966.3-177.3000113.6K326 I328 D332 V333 R336 V338K326-I340 PolarHBondContact NZ-O 3.49Å; K326-I340 VanDerWaalsContact NZ-O 3.09Å; I328-I340 HydrophobicContact CG2-CD1 3.7Å; I328-I340 HydrophobicContact CG2-CG1 4.17Å; D332-I340 HydrophobicContact CB-CD1 3.79Å; V333-I340 HydrophobicContact CB-CD1 4.34Å; V333-I340 HydrophobicContact CG2-CD1 3.74Å; V333-I340 HydrophobicContact CG2-CG1 4.27Å; R336-I340 HydrophobicContact CB-CG2 4.4Å; V338-I340 PolarHBondContact O-N 3.06Å; V338-I340 VanDerWaalsContact O-N 3.16Å
341L95Very high93.3Very high0 Ų048 Ų480%026%0.263CS..G310 helixtrans-88.8-10.7178.6-54.5177.9000112.7V295 I328 V333 V338 E339 L344 I347 T364 F367V295-L341 HydrophobicContact CG2-CD2 3.84Å; I328-L341 HydrophobicContact CD1-CD2 4.1Å; I328-L341 HydrophobicContact CG2-CD2 4.39Å; V333-L341 HydrophobicContact CG1-CD1 4.27Å; V333-L341 HydrophobicContact CG2-CD2 4.18Å; V338-L341 WeakPolarHBondContact O-CB 3.31Å; V338-L341 PolarHBondContact O-N 3.44Å; E339-L341 PolarHBondContact O-N 2.84Å; L341-L344 HydrophobicContact CB-CD1 4.3Å; L341-L344 HydrophobicContact CD2-CD1 4.28Å; L341-L344 WeakPolarHBondContact O-CD1 3.34Å; L341-L344 VanDerWaalsContact O-CG 3.31Å; L341-L344 WeakPolarHBondContact O-CG 3.5Å; L341-I347 HydrophobicContact CB-CD1 4.45Å; L341-T364 HydrophobicContact CD1-CG2 4.07Å; L341-T364 HydrophobicContact CD2-CG2 4.36Å; L341-F367 HydrophobicContact CB-CD1 3.65Å; L341-F367 HydrophobicContact CB-CE1 3.5Å; L341-F367 HydrophobicContact CB-CG 4.5Å; L341-F367 HydrophobicContact CB-CZ 4.28Å; L341-F367 HydrophobicContact CD1-CB 4.06Å; L341-F367 HydrophobicContact CD1-CD1 3.7Å; L341-F367 HydrophobicContact CD1-CE1 4.42Å; L341-F367 HydrophobicContact CD1-CG 4Å; L341-F367 HydrophobicContact CG-CD1 4.34Å
342K91.4Very high93Very high111 Ų11145.3 Ų45.348%0.48325%0.253SS..THydrogen-bonded Turntrans-69.9146177.1-70.2-173.4-177164.50111.4E339 L344 F367E339-K342 PolarHBondContact O-N 3.2Å; E339-K342 WeakPolarHBondContact OE1-CE 3.49Å; E339-K342 IonicContact OE1-NZ 3.4Å; E339-K342 PolarHBondContact OE1-NZ 3.14Å; E339-K342 WeakPolarHBondContact OE2-CD 3.5Å; E339-K342 VanDerWaalsContact OE2-CE 3.3Å; E339-K342 WeakPolarHBondContact OE2-CE 3.37Å; E339-K342 IonicContact OE2-NZ 3.29Å; E339-K342 PolarHBondContact OE2-NZ 3.25Å; K342-L344 VanDerWaalsContact C-N 3.29Å; K342-F367 HydrophobicContact CG-CZ 4.1Å
343G86.9Confident92.4Very high72 Ų7245.7 Ų45.774%0.74225%0.251SS*.THydrogen-bonded Turntrans78.510.4-179.900000114.3
344L91.5Very high91.6Very high11 Ų1147.1 Ų47.16%0.05827%0.267CS..  trans-85.8134.7169.1-62.4176.3000109.4T291 K326 I328 L341 K342 A346 I347T291-L344 HydrophobicContact CG2-CD2 4.02Å; K326-L344 HydrophobicContact CB-CD2 4.24Å; K326-L344 HydrophobicContact CD-CD2 3.91Å; I328-L344 HydrophobicContact CD1-CD1 3.84Å; I328-L344 HydrophobicContact CD1-CD2 4.47Å; L341-L344 HydrophobicContact CB-CD1 4.3Å; L341-L344 HydrophobicContact CD2-CD1 4.28Å; L341-L344 WeakPolarHBondContact O-CD1 3.34Å; L341-L344 VanDerWaalsContact O-CG 3.31Å; L341-L344 WeakPolarHBondContact O-CG 3.5Å; K342-L344 VanDerWaalsContact C-N 3.29Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-I347 HydrophobicContact CB-CG1 4.37Å; L344-I347 HydrophobicContact CD1-CD1 4.23Å; L344-I347 HydrophobicContact CD1-CG1 3.78Å
345D87.6Confident91.3Very high81 Ų8148.9 Ų48.943%0.43327%0.271SS..SBendtrans-77.4-28.7175.2-56.9-53.5000110.9V290 T291 P374V290-D345 HydrophobicContact CB-CB 4.4Å; T291-D345 PolarHBondContact N-OD2 3.25Å; T291-D345 PolarHBondContact O-N 3.13Å; D345-P374 WeakPolarHBondContact O-CD 3.49Å
346A93.2Very high91Very high5 Ų548.7 Ų48.74%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-154160.8176.100000111.9I292 G293 L344 P374 F532I292-A346 WeakPolarHBondContact CA-O 3.45Å; I292-A346 HydrophobicContact CG1-CB 4.18Å; I292-A346 HydrophobicContact CG2-CB 4.45Å; G293-A346 PolarHBondContact N-O 2.87Å; L344-A346 VanDerWaalsContact C-N 3.35Å; A346-P374 WeakPolarHBondContact CA-O 3.49Å; A346-P374 HydrophobicContact CB-CB 3.9Å; A346-P374 HydrophobicContact CB-CG 4.45Å; A346-F532 HydrophobicContact CB-CD1 4.39Å; A346-F532 HydrophobicContact CB-CE1 3.58Å; A346-F532 HydrophobicContact CB-CE2 3.95Å; A346-F532 HydrophobicContact CB-CZ 3.35Å
347I96.8Very high90.9Very high0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-128.1130.3-178.4-68.1171.1000110.6G293 V295 L341 L344 V349 T364 F367 A368 I373 P374 Y375 L376 F532G293-I347 WeakPolarHBondContact O-CA 3.34Å; V295-I347 HydrophobicContact CG2-CG2 4.25Å; L341-I347 HydrophobicContact CB-CD1 4.45Å; L344-I347 HydrophobicContact CB-CG1 4.37Å; L344-I347 HydrophobicContact CD1-CD1 4.23Å; L344-I347 HydrophobicContact CD1-CG1 3.78Å; I347-V349 HydrophobicContact CG2-CG2 4.45Å; I347-T364 HydrophobicContact CG2-CG2 3.47Å; I347-T364 VanDerWaalsContact CG2-CG2 3.47Å; I347-F367 HydrophobicContact CD1-CD1 4.03Å; I347-F367 HydrophobicContact CD1-CE1 4.38Å; I347-A368 HydrophobicContact CD1-CB 4.07Å; I347-I373 HydrophobicContact CD1-CD1 4.4Å; I347-I373 HydrophobicContact CD1-CG2 4.03Å; I347-I373 HydrophobicContact CG1-CG2 4.03Å; I347-P374 PolarHBondContact N-O 3.21Å; I347-Y375 HydrophobicContact CB-CD2 4.47Å; I347-Y375 HydrophobicContact CG2-CD2 4.09Å; I347-Y375 HydrophobicContact CG2-CE2 4.38Å; I347-Y375 WeakPolarHBondContact O-CA 3.49Å; I347-L376 PolarHBondContact O-N 2.55Å; I347-F532 WeakPolarHBondContact O-CZ 3.24Å
348L97.7Very high91Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-118.2127.9172.6-169.6161.5000110.2I292 G293 M294 V295 V308 L312 P350 L376 I378 F529I292-L348 HydrophobicContact CG2-CB 4.48Å; G293-L348 PolarHBondContact O-N 3.39Å; M294-L348 CarbonylContact C-O 3.41Å; M294-L348 WeakPolarHBondContact CA-O 3.36Å; M294-L348 HydrophobicContact CG-CD2 4.21Å; V295-L348 PolarHBondContact N-O 2.91Å; V308-L348 HydrophobicContact CG1-CD1 3.85Å; V308-L348 HydrophobicContact CG1-CD2 3.8Å; L312-L348 HydrophobicContact CD1-CD1 4.13Å; L312-L348 HydrophobicContact CD2-CD1 3.82Å; L312-L348 HydrophobicContact CG-CD1 4.06Å; L348-P350 HydrophobicContact CD2-CB 3.96Å; L348-P350 HydrophobicContact CD2-CG 4.45Å; L348-L376 CarbonylContact C-O 3.36Å; L348-L376 VanDerWaalsContact CA-O 3.29Å; L348-L376 WeakPolarHBondContact CA-O 3.49Å; L348-L376 HydrophobicContact CD1-CD2 3.96Å; L348-L376 HydrophobicContact CD1-CG 4.36Å; L348-L376 HydrophobicContact CG-CB 4.24Å; L348-L376 HydrophobicContact CG-CD2 4.47Å; L348-L376 HydrophobicContact CG-CG 4.34Å; L348-I378 HydrophobicContact CD1-CD1 4.35Å; L348-I378 HydrophobicContact CD2-CD1 4.18Å; L348-F529 HydrophobicContact CD1-CE1 3.81Å
349V98Very high91.1Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-109.1108.2171-178.70000109V295 I347 M361 T364 Y375 L376 I378 G381 V384V295-V349 HydrophobicContact CB-CG2 4.37Å; I347-V349 HydrophobicContact CG2-CG2 4.45Å; V349-M361 HydrophobicContact CG1-CB 4.11Å; V349-M361 HydrophobicContact CG1-CE 4.18Å; V349-M361 HydrophobicContact CG1-CG 3.98Å; V349-M361 HydrophobicContact CG1-SD 3.99Å; V349-T364 HydrophobicContact CG2-CG2 3.96Å; V349-Y375 HydrophobicContact CB-CE2 4.25Å; V349-Y375 HydrophobicContact CG2-CE2 3.56Å; V349-L376 PolarHBondContact N-O 2.95Å; V349-I378 PolarHBondContact O-N 2.91Å; V349-G381 WeakPolarHBondContact O-CA 3.39Å; V349-V384 HydrophobicContact CG1-CG2 4.13Å
350P96.2Very high91.2Very high0 Ų033.9 Ų33.90%019%0.186CC..  trans-80.2178.2-175.634-36000112M294 V295 Y305 V308 L348 I378M294-P350 HydrophobicContact CG-CG 4.29Å; V295-P350 WeakPolarHBondContact O-CD 3.37Å; Y305-P350 HydrophobicContact CD1-CB 3.67Å; Y305-P350 HydrophobicContact CD1-CG 3.76Å; Y305-P350 HydrophobicContact CE1-CB 3.51Å; Y305-P350 HydrophobicContact CE1-CG 3.31Å; Y305-P350 HydrophobicContact CE2-CG 4.33Å; Y305-P350 HydrophobicContact CG-CG 4.44Å; V308-P350 HydrophobicContact CG2-CB 4.39Å; L348-P350 HydrophobicContact CD2-CB 3.96Å; L348-P350 HydrophobicContact CD2-CG 4.45Å; P350-I378 CarbonylContact C-O 3.59Å
351G91.7Very high91.3Very high11 Ų1132.6 Ų32.611%0.11318%0.179CC..  trans-63.2163.6172.900000113.9Y305 I378Y305-G351 WeakPolarHBondContact CE1-O 3.43Å; G351-I378 WeakPolarHBondContact CA-O 3.39Å; G351-I378 PolarHBondContact N-O 3.17Å
352G88Confident91.4Very high10 Ų1032.7 Ų32.710%0.10318%0.18CC..  trans175.6161.8172.300000112.4L380G352-L380 WeakPolarHBondContact O-CD2 3.36Å
353F80.9Confident91.7Very high71 Ų7129.8 Ų29.831%0.31117%0.171SC..  trans-114.1149.7-177.1-65.1-83.5000112Y298 M439 R468Y298-F353 PolarHBondContact OH-N 2.71Å; Y298-F353 PolarHBondContact OH-O 3.03Å; Y298-F353 VanDerWaalsContact OH-O 3.09Å; F353-M439 HydrophobicContact CE1-CE 4.26Å; F353-M439 HydrophobicContact CZ-CE 4.43Å; F353-R468 VanDerWaalsContact CE2-NH1 3.29Å
354G80.2Confident92.3Very high32 Ų3226.3 Ų26.333%0.3314%0.136SC..SBendtrans76.9171.9174.500000114.5K297 E403K297-G354 PolarHBondContact NZ-O 2.86Å; G354-E403 PolarHBondContact N-OE1 3.28Å; G354-E403 VanDerWaalsContact N-OE1 3.12Å
355Y83.2Confident92.6Very high119 Ų11925.8 Ų25.847%0.46713%0.133SC..SBendtrans-79.2-23.7-166.1-175.6-124.5000116G357 V358 F404Y355-G357 PolarHBondContact O-N 3.11Å; Y355-V358 HydrophobicContact CD2-CB 4.16Å; Y355-V358 HydrophobicContact CD2-CG2 4.37Å; Y355-V358 HydrophobicContact CE2-CB 4.38Å; Y355-V358 WeakPolarHBondContact O-CB 3.44Å; Y355-V358 VanDerWaalsContact O-CG2 3.24Å; Y355-V358 WeakPolarHBondContact O-CG2 3.45Å; Y355-V358 PolarHBondContact O-N 3.47Å; Y355-V358 VanDerWaalsContact O-N 3.15Å; Y355-F404 HydrophobicContact CD2-CB 3.44Å; Y355-F404 VanDerWaalsContact CD2-CB 3.44Å; Y355-F404 HydrophobicContact CD2-CD1 4Å; Y355-F404 AromaticContact CD2-CG 3.76Å; Y355-F404 HydrophobicContact CD2-CG 3.76Å; Y355-F404 HydrophobicContact CE2-CB 3.87Å; Y355-F404 HydrophobicContact CE2-CG 4.44Å; Y355-F404 HydrophobicContact CG-CB 4.38Å
356R87.9Confident93Very high106 Ų10626.4 Ų26.440%0.413%0.129SC..THydrogen-bonded Turntrans-54.6125-173.9-175.3177.872.5107.6-1.2111.4K297 Q331 V358K297-R356 WeakPolarHBondContact CD-O 3.44Å; K297-R356 WeakPolarHBondContact CE-O 3.27Å; K297-R356 WeakPolarHBondContact CG-O 3.22Å; K297-R356 PolarHBondContact NZ-O 3.23Å; K297-R356 PolarHBondContact O-NH2 3.18Å; Q331-R356 HydrophobicContact CG-CG 4.29Å; R356-V358 VanDerWaalsContact C-N 3.3Å; R356-V358 PolarHBondContact O-N 3.4Å
357G89Confident93.2Very high3 Ų327 Ų273%0.03113%0.131CC..THydrogen-bonded Turntrans77.63.2175.500000115.9S330 E334 Y355 E359 G360 M361S330-G357 VanDerWaalsContact CB-O 3.26Å; S330-G357 WeakPolarHBondContact CB-O 3.47Å; S330-G357 WeakPolarHBondContact OG-CA 3.43Å; S330-G357 PolarHBondContact OG-O 2.93Å; E334-G357 WeakPolarHBondContact OE1-CA 3.23Å; Y355-G357 PolarHBondContact O-N 3.11Å; G357-E359 PolarHBondContact O-N 2.99Å; G357-G360 PolarHBondContact O-N 3.31Å; G357-M361 PolarHBondContact O-N 2.84Å
358V94.3Very high93.2Very high0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-65.5-37.5-176.5171.20000112.4Y355 R356 G360 M361 I362 V384 F404Y355-V358 HydrophobicContact CD2-CB 4.16Å; Y355-V358 HydrophobicContact CD2-CG2 4.37Å; Y355-V358 HydrophobicContact CE2-CB 4.38Å; Y355-V358 WeakPolarHBondContact O-CB 3.44Å; Y355-V358 VanDerWaalsContact O-CG2 3.24Å; Y355-V358 WeakPolarHBondContact O-CG2 3.45Å; Y355-V358 PolarHBondContact O-N 3.47Å; Y355-V358 VanDerWaalsContact O-N 3.15Å; R356-V358 VanDerWaalsContact C-N 3.3Å; R356-V358 PolarHBondContact O-N 3.4Å; V358-G360 VanDerWaalsContact C-N 3.29Å; V358-G360 PolarHBondContact O-N 2.83Å; V358-M361 WeakPolarHBondContact O-CB 3.48Å; V358-M361 PolarHBondContact O-N 3.5Å; V358-M361 VanDerWaalsContact O-N 3.13Å; V358-I362 HydrophobicContact CG1-CD1 3.88Å; V358-I362 HydrophobicContact CG1-CG1 4.31Å; V358-I362 WeakPolarHBondContact O-CG1 3.37Å; V358-I362 PolarHBondContact O-N 2.88Å; V358-V384 HydrophobicContact CG1-CG1 4.04Å; V358-F404 HydrophobicContact CG1-CD2 3.8Å; V358-F404 HydrophobicContact CG1-CE2 3.83Å; V358-F404 HydrophobicContact CG1-CG 4.44Å; V358-F404 HydrophobicContact CG1-CZ 4.46Å; V358-F404 HydrophobicContact CG2-CD1 4.22Å; V358-F404 HydrophobicContact CG2-CD2 4.36Å; V358-F404 HydrophobicContact CG2-CE1 3.95Å; V358-F404 HydrophobicContact CG2-CE2 4.13Å; V358-F404 HydrophobicContact CG2-CG 4.46Å; V358-F404 HydrophobicContact CG2-CZ 3.94Å
359E95.1Very high93.1Very high53 Ų5328.7 Ų28.725%0.24814%0.137CC..Hα-helixtrans-68.2-32.3-179.5-72.7-65149.900111.6E334 G357 M361 I362 T363 R391E334-E359 HydrophobicContact CG-CB 4.37Å; E334-E359 PolarHBondContact OE1-N 3.44Å; E334-E359 VanDerWaalsContact OE1-N 3.16Å; G357-E359 PolarHBondContact O-N 2.99Å; E359-M361 VanDerWaalsContact C-N 3.34Å; E359-I362 PolarHBondContact O-N 2.84Å; E359-T363 WeakPolarHBondContact O-CB 3.5Å; E359-T363 PolarHBondContact O-N 3.48Å; E359-T363 PolarHBondContact O-OG1 2.85Å; E359-R391 VanDerWaalsContact CD-NH1 3.35Å; E359-R391 IonicContact OE1-CZ 3.41Å; E359-R391 IonicContact OE1-NH1 3.07Å; E359-R391 PolarHBondContact OE1-NH1 2.84Å; E359-R391 VanDerWaalsContact OE1-NH1 3.07Å; E359-R391 IonicContact OE1-NH2 2.82Å; E359-R391 PolarHBondContact OE1-NH2 3.18Å; E359-R391 IonicContact OE2-CZ 3.82Å; E359-R391 IonicContact OE2-NH1 2.79Å; E359-R391 PolarHBondContact OE2-NH1 3.37Å; E359-R391 IonicContact OE2-NH2 3.96Å
360G96.1Very high93Very high0 Ų033.1 Ų33.10%016%0.158CC..Hα-helixtrans-65-37.7171.300000112.8S330 E334 G357 V358 T363 T364S330-G360 WeakPolarHBondContact O-CA 3.29Å; E334-G360 VanDerWaalsContact CG-CA 3.4Å; E334-G360 PolarHBondContact OE1-N 2.89Å; G357-G360 PolarHBondContact O-N 3.31Å; V358-G360 VanDerWaalsContact C-N 3.29Å; V358-G360 PolarHBondContact O-N 2.83Å; G360-T363 PolarHBondContact O-N 3.41Å; G360-T364 WeakPolarHBondContact O-CB 3.02Å; G360-T364 PolarHBondContact O-N 3.07Å; G360-T364 PolarHBondContact O-OG1 2.84Å
361M97.3Very high92.8Very high0 Ų037.2 Ų37.20%018%0.18CC..Hα-helixtrans-69.3-41.4174.5-67.5176.9159.200112.4V295 K297 V349 G357 V358 E359 T363 T364 A365 L380 V384V295-M361 WeakPolarHBondContact O-CE 3.41Å; K297-M361 HydrophobicContact CD-CE 4.24Å; K297-M361 HydrophobicContact CG-CE 3.66Å; K297-M361 HydrophobicContact CG-SD 4.43Å; V349-M361 HydrophobicContact CG1-CB 4.11Å; V349-M361 HydrophobicContact CG1-CE 4.18Å; V349-M361 HydrophobicContact CG1-CG 3.98Å; V349-M361 HydrophobicContact CG1-SD 3.99Å; G357-M361 PolarHBondContact O-N 2.84Å; V358-M361 WeakPolarHBondContact O-CB 3.48Å; V358-M361 PolarHBondContact O-N 3.5Å; V358-M361 VanDerWaalsContact O-N 3.13Å; E359-M361 VanDerWaalsContact C-N 3.34Å; M361-T363 VanDerWaalsContact C-N 3.32Å; M361-T363 PolarHBondContact O-N 3.18Å; M361-T364 WeakPolarHBondContact O-CB 3.21Å; M361-T364 PolarHBondContact O-N 3.47Å; M361-A365 PolarHBondContact O-N 2.92Å; M361-L380 HydrophobicContact CE-CD2 4.3Å; M361-L380 HydrophobicContact SD-CD2 3.58Å; M361-L380 VanDerWaalsContact SD-CD2 3.58Å; M361-L380 HydrophobicContact SD-CG 4.19Å; M361-V384 HydrophobicContact CB-CB 4.29Å; M361-V384 HydrophobicContact CB-CG1 3.98Å; M361-V384 HydrophobicContact CB-CG2 4.06Å
362I97.1Very high92.6Very high2 Ų241 Ų411%0.0120%0.197CC..Hα-helixtrans-59.9-45.9172.9-65.8163.8000109.8V358 E359 T364 A365 R366 V384 I387 D388V358-I362 HydrophobicContact CG1-CD1 3.88Å; V358-I362 HydrophobicContact CG1-CG1 4.31Å; V358-I362 WeakPolarHBondContact O-CG1 3.37Å; V358-I362 PolarHBondContact O-N 2.88Å; E359-I362 PolarHBondContact O-N 2.84Å; I362-T364 VanDerWaalsContact C-N 3.26Å; I362-T364 PolarHBondContact O-N 2.76Å; I362-A365 PolarHBondContact O-N 3.08Å; I362-R366 WeakPolarHBondContact O-CB 3.39Å; I362-R366 PolarHBondContact O-N 3.23Å; I362-V384 HydrophobicContact CG1-CB 3.76Å; I362-V384 HydrophobicContact CG1-CG1 3.95Å; I362-I387 HydrophobicContact CD1-CB 4.32Å; I362-I387 HydrophobicContact CD1-CD1 4.48Å; I362-I387 HydrophobicContact CD1-CG2 3.59Å; I362-I387 HydrophobicContact CG1-CB 4.36Å; I362-I387 HydrophobicContact CG1-CG2 4.03Å; I362-I387 HydrophobicContact CG2-CG2 4.31Å; I362-D388 HydrophobicContact CG2-CB 4.11Å
363T97.3Very high92.6Very high49 Ų4941.6 Ų41.630%0.30120%0.198SC..Hα-helixtrans-61.1-36.5176.5-58.20000111.8V333 V338 E359 G360 M361 R366 F367V333-T363 HydrophobicContact CG1-CG2 4.08Å; V338-T363 HydrophobicContact CG1-CG2 3.6Å; E359-T363 WeakPolarHBondContact O-CB 3.5Å; E359-T363 PolarHBondContact O-N 3.48Å; E359-T363 PolarHBondContact O-OG1 2.85Å; G360-T363 PolarHBondContact O-N 3.41Å; M361-T363 VanDerWaalsContact C-N 3.32Å; M361-T363 PolarHBondContact O-N 3.18Å; T363-R366 WeakPolarHBondContact O-CB 3.47Å; T363-F367 WeakPolarHBondContact O-CB 3.32Å; T363-F367 PolarHBondContact O-N 3.07Å
364T98.2Very high93.2Very high0 Ų038.7 Ų38.70%019%0.186CC..Hα-helixtrans-67.1-47.1176.5-63.40000111.8V295 L341 I347 V349 G360 M361 I362 R366 F367 A368V295-T364 HydrophobicContact CB-CG2 4.03Å; V295-T364 HydrophobicContact CG1-CG2 4.22Å; V295-T364 HydrophobicContact CG2-CG2 3.73Å; L341-T364 HydrophobicContact CD1-CG2 4.07Å; L341-T364 HydrophobicContact CD2-CG2 4.36Å; I347-T364 HydrophobicContact CG2-CG2 3.47Å; I347-T364 VanDerWaalsContact CG2-CG2 3.47Å; V349-T364 HydrophobicContact CG2-CG2 3.96Å; G360-T364 WeakPolarHBondContact O-CB 3.02Å; G360-T364 PolarHBondContact O-N 3.07Å; G360-T364 PolarHBondContact O-OG1 2.84Å; M361-T364 WeakPolarHBondContact O-CB 3.21Å; M361-T364 PolarHBondContact O-N 3.47Å; I362-T364 VanDerWaalsContact C-N 3.26Å; I362-T364 PolarHBondContact O-N 2.76Å; T364-R366 VanDerWaalsContact C-N 3.29Å; T364-R366 PolarHBondContact O-N 3.34Å; T364-F367 PolarHBondContact O-N 2.94Å; T364-A368 PolarHBondContact O-N 2.96Å
365A98Very high94Very high0 Ų037.1 Ų37.10%017%0.17CC..Hα-helixtrans-60.2-42.4176.400000111.3M361 I362 A368 R369 Y375 A385 D388M361-A365 PolarHBondContact O-N 2.92Å; I362-A365 PolarHBondContact O-N 3.08Å; A365-A368 PolarHBondContact O-N 3.29Å; A365-R369 WeakPolarHBondContact O-CB 3.42Å; A365-R369 PolarHBondContact O-N 2.94Å; A365-Y375 HydrophobicContact CB-CE2 3.89Å; A365-A385 HydrophobicContact CB-CB 4.27Å; A365-D388 HydrophobicContact CB-CB 4.32Å
366R97.5Very high94.7Very high94 Ų9431.5 Ų31.536%0.35515%0.148SC..Hα-helixtrans-57.1-52.4172.4-176.5178.1172.8-176.5-8.1112.1I362 T363 T364 A368 R369 E370 D388 H392I362-R366 WeakPolarHBondContact O-CB 3.39Å; I362-R366 PolarHBondContact O-N 3.23Å; T363-R366 WeakPolarHBondContact O-CB 3.47Å; T364-R366 VanDerWaalsContact C-N 3.29Å; T364-R366 PolarHBondContact O-N 3.34Å; R366-A368 VanDerWaalsContact C-N 3.3Å; R366-A368 PolarHBondContact O-N 3.44Å; R366-R369 PolarHBondContact O-N 2.9Å; R366-E370 HydrophobicContact CG-CG 4.26Å; R366-E370 WeakPolarHBondContact CG-OE1 3.37Å; R366-E370 IonicContact CZ-OE1 3.54Å; R366-E370 IonicContact CZ-OE2 3.94Å; R366-E370 IonicContact NE-OE1 2.81Å; R366-E370 PolarHBondContact NE-OE1 2.73Å; R366-E370 IonicContact NE-OE2 3.31Å; R366-E370 PolarHBondContact NE-OE2 3.48Å; R366-E370 IonicContact NH2-OE1 3.42Å; R366-E370 PolarHBondContact NH2-OE1 3.03Å; R366-E370 IonicContact NH2-OE2 3.66Å; R366-E370 WeakPolarHBondContact O-CB 3.4Å; R366-E370 WeakPolarHBondContact O-CG 3.13Å; R366-E370 PolarHBondContact O-N 2.94Å; R366-D388 WeakPolarHBondContact CA-OD1 3.49Å; R366-D388 WeakPolarHBondContact CB-OD1 3.39Å; R366-D388 WeakPolarHBondContact CG-OD1 3.42Å; R366-H392 PolarHBondContact NH1-CD2 3.02Å; R366-H392 PolarHBondContact NH1-NE2 2.89Å
367F97.5Very high95.2Very high17 Ų1726.4 Ų26.48%0.07513%0.129CC..Hα-helixtrans-58.6-45-178.1176.4-100.6000111V338 L341 K342 I347 T363 T364 E370 N371 I373V338-F367 HydrophobicContact CB-CD2 3.77Å; V338-F367 HydrophobicContact CB-CE2 4.17Å; V338-F367 HydrophobicContact CB-CG 4.25Å; V338-F367 HydrophobicContact CG1-CB 4.21Å; V338-F367 HydrophobicContact CG1-CD2 4.11Å; V338-F367 HydrophobicContact CG1-CG 4.34Å; V338-F367 HydrophobicContact CG2-CD2 4.07Å; V338-F367 HydrophobicContact CG2-CE2 4.24Å; L341-F367 HydrophobicContact CB-CD1 3.65Å; L341-F367 HydrophobicContact CB-CE1 3.5Å; L341-F367 HydrophobicContact CB-CG 4.5Å; L341-F367 HydrophobicContact CB-CZ 4.28Å; L341-F367 HydrophobicContact CD1-CB 4.06Å; L341-F367 HydrophobicContact CD1-CD1 3.7Å; L341-F367 HydrophobicContact CD1-CE1 4.42Å; L341-F367 HydrophobicContact CD1-CG 4Å; L341-F367 HydrophobicContact CG-CD1 4.34Å; K342-F367 HydrophobicContact CG-CZ 4.1Å; I347-F367 HydrophobicContact CD1-CD1 4.03Å; I347-F367 HydrophobicContact CD1-CE1 4.38Å; T363-F367 WeakPolarHBondContact O-CB 3.32Å; T363-F367 PolarHBondContact O-N 3.07Å; T364-F367 PolarHBondContact O-N 2.94Å; F367-E370 PolarHBondContact O-N 3.27Å; F367-N371 WeakPolarHBondContact CD2-ND2 3.45Å; F367-N371 VanDerWaalsContact CE2-ND2 3.35Å; F367-N371 WeakPolarHBondContact CE2-ND2 3.26Å; F367-N371 WeakPolarHBondContact O-CB 3.45Å; F367-N371 PolarHBondContact O-N 3.02Å; F367-N371 PolarHBondContact O-ND2 3.02Å; F367-I373 HydrophobicContact CD1-CD1 4.07Å; F367-I373 HydrophobicContact CE1-CD1 3.39Å; F367-I373 HydrophobicContact CZ-CD1 4.03Å
368A96Very high95.6Very high0 Ų026.3 Ų26.30%013%0.127CC..Hα-helixtrans-59.9-50.9177.300000111.3I347 T364 A365 R366 E370 N371 N372 I373 Y375 H506I347-A368 HydrophobicContact CD1-CB 4.07Å; T364-A368 PolarHBondContact O-N 2.96Å; A365-A368 PolarHBondContact O-N 3.29Å; R366-A368 VanDerWaalsContact C-N 3.3Å; R366-A368 PolarHBondContact O-N 3.44Å; A368-E370 PolarHBondContact O-N 3.46Å; A368-N371 PolarHBondContact O-N 2.84Å; A368-N372 PolarHBondContact O-N 3.16Å; A368-N372 VanDerWaalsContact O-N 3.08Å; A368-I373 HydrophobicContact CB-CB 4.43Å; A368-I373 PolarHBondContact O-N 3.34Å; A368-Y375 HydrophobicContact CB-CD2 3.76Å; A368-Y375 HydrophobicContact CB-CG 4.23Å; A368-H506 PolarHBondContact O-NE2 2.73Å
369R96.8Very high95.7Very high35 Ų3526.6 Ų26.613%0.13213%0.129CC..Hα-helixtrans-58.4-46.3178.6-178177.654.967.34.7112.9A365 R366 D388 F509A365-R369 WeakPolarHBondContact O-CB 3.42Å; A365-R369 PolarHBondContact O-N 2.94Å; R366-R369 PolarHBondContact O-N 2.9Å; R369-D388 IonicContact CZ-OD1 3.92Å; R369-D388 IonicContact CZ-OD2 3.34Å; R369-D388 IonicContact NE-OD2 2.74Å; R369-D388 PolarHBondContact NE-OD2 3.18Å; R369-D388 IonicContact NH2-OD1 2.94Å; R369-D388 PolarHBondContact NH2-OD1 3.26Å; R369-D388 IonicContact NH2-OD2 3.08Å; R369-D388 PolarHBondContact NH2-OD2 3.01Å; R369-D388 VanDerWaalsContact NH2-OD2 3.08Å; R369-F509 HydrophobicContact CB-CD2 4.25Å; R369-F509 HydrophobicContact CB-CE2 3.78Å
370E94.8Very high95.7Very high93 Ų9324.1 Ų24.144%0.43512%0.118SC..Hα-helixtrans-74.5-25.6-176-71.5179.6179.600112.9R366 F367 A368R366-E370 HydrophobicContact CG-CG 4.26Å; R366-E370 WeakPolarHBondContact CG-OE1 3.37Å; R366-E370 IonicContact CZ-OE1 3.54Å; R366-E370 IonicContact CZ-OE2 3.94Å; R366-E370 IonicContact NE-OE1 2.81Å; R366-E370 PolarHBondContact NE-OE1 2.73Å; R366-E370 IonicContact NE-OE2 3.31Å; R366-E370 PolarHBondContact NE-OE2 3.48Å; R366-E370 IonicContact NH2-OE1 3.42Å; R366-E370 PolarHBondContact NH2-OE1 3.03Å; R366-E370 IonicContact NH2-OE2 3.66Å; R366-E370 WeakPolarHBondContact O-CB 3.4Å; R366-E370 WeakPolarHBondContact O-CG 3.13Å; R366-E370 PolarHBondContact O-N 2.94Å; F367-E370 PolarHBondContact O-N 3.27Å; A368-E370 PolarHBondContact O-N 3.46Å
371N91.4Very high95.8Very high87 Ų8724.1 Ų24.147%0.46512%0.118SC..THydrogen-bonded Turntrans-103.29.7-179-65-90.1000113.4F367 A368 I373F367-N371 WeakPolarHBondContact CD2-ND2 3.45Å; F367-N371 VanDerWaalsContact CE2-ND2 3.35Å; F367-N371 WeakPolarHBondContact CE2-ND2 3.26Å; F367-N371 WeakPolarHBondContact O-CB 3.45Å; F367-N371 PolarHBondContact O-N 3.02Å; F367-N371 PolarHBondContact O-ND2 3.02Å; A368-N371 PolarHBondContact O-N 2.84Å; N371-I373 HydrophobicContact CB-CD1 4.03Å; N371-I373 HydrophobicContact CB-CG1 4.03Å; N371-I373 PolarHBondContact O-N 2.98Å
372N88.7Confident95.8Very high90 Ų9024.1 Ų24.148%0.48112%0.118SC..THydrogen-bonded Turntrans54.833.3-177.6-71.7-49.5000113.8A368 H506 P507A368-N372 PolarHBondContact O-N 3.16Å; A368-N372 VanDerWaalsContact O-N 3.08Å; N372-H506 VanDerWaalsContact C-NE2 3.32Å; N372-H506 VanDerWaalsContact CA-NE2 3.25Å; N372-H506 WeakPolarHBondContact CA-NE2 3.36Å; N372-P507 HydrophobicContact CB-CG 4.02Å; N372-P507 WeakPolarHBondContact O-CG 3.27Å; N372-P507 WeakPolarHBondContact OD1-CD 3.31Å
373I88.3Confident95.8Very high23 Ų2324.3 Ų24.312%0.11812%0.119CC..  trans-88.9123.3177.6-59.3172.9000108.1I347 F367 A368 N371 Y375 H506I347-I373 HydrophobicContact CD1-CD1 4.4Å; I347-I373 HydrophobicContact CD1-CG2 4.03Å; I347-I373 HydrophobicContact CG1-CG2 4.03Å; F367-I373 HydrophobicContact CD1-CD1 4.07Å; F367-I373 HydrophobicContact CE1-CD1 3.39Å; F367-I373 HydrophobicContact CZ-CD1 4.03Å; A368-I373 HydrophobicContact CB-CB 4.43Å; A368-I373 PolarHBondContact O-N 3.34Å; N371-I373 HydrophobicContact CB-CD1 4.03Å; N371-I373 HydrophobicContact CB-CG1 4.03Å; N371-I373 PolarHBondContact O-N 2.98Å; I373-Y375 PolarHBondContact O-N 2.74Å; I373-H506 VanDerWaalsContact C-CE1 3.43Å; I373-H506 PolarHBondContact N-NE2 2.81Å; I373-H506 PolarHBondContact O-CE1 3.35Å; I373-H506 PolarHBondContact O-NE2 3.35Å
374P93.3Very high95.8Very high9 Ų922 Ų226%0.05811%0.105CC..  trans-43.9127.9176.7-26.429.8000112.5D345 A346 I347 W508 F532 L535D345-P374 WeakPolarHBondContact O-CD 3.49Å; A346-P374 WeakPolarHBondContact CA-O 3.49Å; A346-P374 HydrophobicContact CB-CB 3.9Å; A346-P374 HydrophobicContact CB-CG 4.45Å; I347-P374 PolarHBondContact N-O 3.21Å; P374-W508 VanDerWaalsContact CA-O 3.28Å; P374-W508 WeakPolarHBondContact CA-O 3.48Å; P374-W508 HydrophobicContact CB-CB 4.23Å; P374-F532 HydrophobicContact CB-CD2 4.27Å; P374-F532 HydrophobicContact CB-CE2 3.87Å; P374-L535 HydrophobicContact CB-CD1 3.83Å; P374-L535 HydrophobicContact CG-CD1 3.17Å; P374-L535 HydrophobicContact CG-CD2 4.16Å; P374-L535 HydrophobicContact CG-CG 4.28Å
375Y96.2Very high95.7Very high0 Ų022.1 Ų22.10%011%0.105CC..EExtended strand (participates in β ladder)trans-129126.1-174.3178.6-90000112.4I347 V349 A365 A368 I373 G381 A385 W508 F509 V510 A511I347-Y375 HydrophobicContact CB-CD2 4.47Å; I347-Y375 HydrophobicContact CG2-CD2 4.09Å; I347-Y375 HydrophobicContact CG2-CE2 4.38Å; I347-Y375 WeakPolarHBondContact O-CA 3.49Å; V349-Y375 HydrophobicContact CB-CE2 4.25Å; V349-Y375 HydrophobicContact CG2-CE2 3.56Å; A365-Y375 HydrophobicContact CB-CE2 3.89Å; A368-Y375 HydrophobicContact CB-CD2 3.76Å; A368-Y375 HydrophobicContact CB-CG 4.23Å; I373-Y375 PolarHBondContact O-N 2.74Å; Y375-G381 PolarHBondContact OH-O 3.09Å; Y375-A385 HydrophobicContact CE1-CB 3.89Å; Y375-W508 PolarHBondContact N-O 3.38Å; Y375-W508 VanDerWaalsContact O-CE3 3.27Å; Y375-W508 WeakPolarHBondContact O-CZ3 3.35Å; Y375-F509 VanDerWaalsContact CB-CD2 3.48Å; Y375-F509 AromaticContact CD1-CD1 3.96Å; Y375-F509 HydrophobicContact CD1-CD1 3.96Å; Y375-F509 HydrophobicContact CD1-CD2 4.03Å; Y375-F509 AromaticContact CD1-CE1 3.52Å; Y375-F509 HydrophobicContact CD1-CE1 3.52Å; Y375-F509 AromaticContact CD1-CE2 3.59Å; Y375-F509 HydrophobicContact CD1-CE2 3.59Å; Y375-F509 HydrophobicContact CD1-CG 4.19Å; Y375-F509 AromaticContact CD1-CZ 3.32Å; Y375-F509 HydrophobicContact CD1-CZ 3.32Å; Y375-F509 HydrophobicContact CD2-CE2 4.29Å; Y375-F509 HydrophobicContact CD2-CZ 4.5Å; Y375-F509 AromaticContact CE1-CE1 3.91Å; Y375-F509 HydrophobicContact CE1-CE1 3.91Å; Y375-F509 HydrophobicContact CE1-CE2 4.36Å; Y375-F509 AromaticContact CE1-CZ 3.71Å; Y375-F509 HydrophobicContact CE1-CZ 3.71Å; Y375-F509 AromaticContact CG-CD2 3.96Å; Y375-F509 HydrophobicContact CG-CD2 3.96Å; Y375-F509 HydrophobicContact CG-CE1 4.34Å; Y375-F509 AromaticContact CG-CE2 3.55Å; Y375-F509 HydrophobicContact CG-CE2 3.55Å; Y375-F509 AromaticContact CG-CZ 3.77Å; Y375-F509 HydrophobicContact CG-CZ 3.77Å; Y375-V510 PolarHBondContact O-N 3.49Å; Y375-V510 VanDerWaalsContact O-O 3.12Å; Y375-A511 HydrophobicContact CE1-CB 4.26Å
376L97.9Very high95.7Very high0 Ų022.1 Ų22.10%011%0.105CC..EExtended strand (participates in β ladder)trans-115.6116.4168.6179.553.9000110.9I347 L348 V349 I378 W508 V510 F529 F532I347-L376 PolarHBondContact O-N 2.55Å; L348-L376 CarbonylContact C-O 3.36Å; L348-L376 VanDerWaalsContact CA-O 3.29Å; L348-L376 WeakPolarHBondContact CA-O 3.49Å; L348-L376 HydrophobicContact CD1-CD2 3.96Å; L348-L376 HydrophobicContact CD1-CG 4.36Å; L348-L376 HydrophobicContact CG-CB 4.24Å; L348-L376 HydrophobicContact CG-CD2 4.47Å; L348-L376 HydrophobicContact CG-CG 4.34Å; V349-L376 PolarHBondContact N-O 2.95Å; L376-I378 HydrophobicContact CG-CG1 4.33Å; L376-W508 HydrophobicContact CB-CH2 4.19Å; L376-W508 HydrophobicContact CB-CZ3 3.86Å; L376-W508 HydrophobicContact CD1-CH2 4.06Å; L376-W508 HydrophobicContact CD1-CZ3 4.3Å; L376-W508 HydrophobicContact CG-CH2 4.5Å; L376-V510 VanDerWaalsContact CA-O 3.31Å; L376-V510 WeakPolarHBondContact CA-O 3.49Å; L376-F529 HydrophobicContact CD2-CD1 4.17Å; L376-F529 HydrophobicContact CD2-CE1 3.99Å; L376-F529 HydrophobicContact CD2-CZ 4.26Å; L376-F532 HydrophobicContact CB-CD2 4.14Å; L376-F532 HydrophobicContact CB-CE2 3.85Å; L376-F532 HydrophobicContact CB-CZ 4.04Å
377G97.9Very high95.7Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans-105.2130.1173.400000112.4V510 A511 C512G377-V510 PolarHBondContact N-O 2.69Å; G377-A511 CarbonylContact O-C 3.54Å; G377-A511 WeakPolarHBondContact O-CA 3.29Å; G377-C512 PolarHBondContact O-N 2.71Å
378I97.9Very high95.7Very high0 Ų016.8 Ų16.80%09%0.085CC..EExtended strand (participates in β ladder)trans-118.1123.5179.7-59.5173.5000110V308 L348 V349 P350 G351 L376 L380 G381 C512 P516 F529V308-I378 HydrophobicContact CG2-CD1 4.44Å; L348-I378 HydrophobicContact CD1-CD1 4.35Å; L348-I378 HydrophobicContact CD2-CD1 4.18Å; V349-I378 PolarHBondContact O-N 2.91Å; P350-I378 CarbonylContact C-O 3.59Å; G351-I378 WeakPolarHBondContact CA-O 3.39Å; G351-I378 PolarHBondContact N-O 3.17Å; L376-I378 HydrophobicContact CG-CG1 4.33Å; I378-L380 PolarHBondContact O-N 3.03Å; I378-G381 PolarHBondContact O-N 3.02Å; I378-C512 CarbonylContact C-O 3.55Å; I378-P516 HydrophobicContact CD1-CG 4.28Å; I378-P516 HydrophobicContact CG1-CG 4.33Å; I378-F529 HydrophobicContact CD1-CZ 3.89Å
379C96.1Very high95.8Very high6 Ų617.6 Ų17.64%0.0419%0.088CC..THydrogen-bonded Turntrans52.2-98.2179.8178.70000111.6G381 M382 Q383 C512 Q513C379-G381 PolarHBondContact O-N 2.68Å; C379-M382 WeakPolarHBondContact O-CB 3.43Å; C379-M382 PolarHBondContact O-N 3.31Å; C379-Q383 PolarHBondContact O-N 3Å; C379-Q383 VanDerWaalsContact O-N 3.16Å; C379-C512 PolarHBondContact N-O 2.84Å; C379-Q513 WeakPolarHBondContact CB-O 3.42Å
380L95.8Very high95.8Very high1 Ų116 Ų161%0.0058%0.082CC..Hα-helixtrans-55.2-37.2171.3179.861.6000112.2K297 G352 M361 I378 M382 Q383 V384 F404K297-L380 HydrophobicContact CD-CD2 4.41Å; K297-L380 VanDerWaalsContact CE-CD2 3.48Å; G352-L380 WeakPolarHBondContact O-CD2 3.36Å; M361-L380 HydrophobicContact CE-CD2 4.3Å; M361-L380 HydrophobicContact SD-CD2 3.58Å; M361-L380 VanDerWaalsContact SD-CD2 3.58Å; M361-L380 HydrophobicContact SD-CG 4.19Å; I378-L380 PolarHBondContact O-N 3.03Å; L380-M382 VanDerWaalsContact C-N 3.28Å; L380-M382 PolarHBondContact O-N 2.82Å; L380-Q383 HydrophobicContact CD1-CB 4.48Å; L380-Q383 WeakPolarHBondContact O-CB 3.45Å; L380-Q383 PolarHBondContact O-N 3.22Å; L380-Q383 VanDerWaalsContact O-N 3.13Å; L380-V384 HydrophobicContact CD1-CG1 4Å; L380-V384 HydrophobicContact CG-CG1 4.24Å; L380-V384 WeakPolarHBondContact O-CG1 3.49Å; L380-V384 WeakPolarHBondContact O-CG2 3.42Å; L380-V384 PolarHBondContact O-N 2.84Å; L380-F404 HydrophobicContact CD1-CE2 3.99Å; L380-F404 HydrophobicContact CD1-CZ 3.52Å
381G97.1Very high95.9Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-56.6-40.1174.500000113.1V349 Y375 I378 C379 V384 A385V349-G381 WeakPolarHBondContact O-CA 3.39Å; Y375-G381 PolarHBondContact OH-O 3.09Å; I378-G381 PolarHBondContact O-N 3.02Å; C379-G381 PolarHBondContact O-N 2.68Å; G381-V384 VanDerWaalsContact O-CG2 3.23Å; G381-V384 WeakPolarHBondContact O-CG2 3.45Å; G381-A385 WeakPolarHBondContact O-CB 3.34Å; G381-A385 PolarHBondContact O-N 3.03Å; G381-A385 VanDerWaalsContact O-N 3.13Å
382M97.8Very high96.2Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-67-43.8173.2177.3-179.316300112.3C379 L380 V384 A385 L386 V473 V498 I501 A511 C512 Q513C379-M382 WeakPolarHBondContact O-CB 3.43Å; C379-M382 PolarHBondContact O-N 3.31Å; L380-M382 VanDerWaalsContact C-N 3.28Å; L380-M382 PolarHBondContact O-N 2.82Å; M382-V384 PolarHBondContact O-N 3.06Å; M382-A385 PolarHBondContact O-N 3.14Å; M382-L386 PolarHBondContact O-N 2.97Å; M382-V473 HydrophobicContact CE-CG2 3.76Å; M382-V498 HydrophobicContact CE-CB 4.32Å; M382-V498 HydrophobicContact CE-CG1 3.63Å; M382-I501 HydrophobicContact CE-CG1 4.41Å; M382-I501 HydrophobicContact CE-CG2 4.02Å; M382-I501 HydrophobicContact CG-CD1 3.91Å; M382-I501 HydrophobicContact CG-CG1 3.96Å; M382-A511 HydrophobicContact CB-CB 3.75Å; M382-A511 HydrophobicContact CG-CB 4.03Å; M382-C512 WeakPolarHBondContact CB-O 3.45Å; M382-Q513 HydrophobicContact CE-CB 4.49Å; M382-Q513 HydrophobicContact SD-CB 3.69Å; M382-Q513 PolarHBondContact SD-N 3.46Å; M382-Q513 PolarHBondContact SD-OE1 3.34Å; M382-Q513 VanDerWaalsContact SD-OE1 3.35Å
383Q96.5Very high96.5Very high7 Ų710.7 Ų10.73%0.0335%0.053CC..Hα-helixtrans-60.7-45.4179.6-62.2174.617.600111.7C379 L380 A385 L386 I387 V413C379-Q383 PolarHBondContact O-N 3Å; C379-Q383 VanDerWaalsContact O-N 3.16Å; L380-Q383 HydrophobicContact CD1-CB 4.48Å; L380-Q383 WeakPolarHBondContact O-CB 3.45Å; L380-Q383 PolarHBondContact O-N 3.22Å; L380-Q383 VanDerWaalsContact O-N 3.13Å; Q383-A385 VanDerWaalsContact C-N 3.35Å; Q383-A385 PolarHBondContact O-N 3.03Å; Q383-L386 PolarHBondContact O-N 3.46Å; Q383-I387 WeakPolarHBondContact O-CD1 3.44Å; Q383-I387 WeakPolarHBondContact O-CG1 3.31Å; Q383-I387 PolarHBondContact O-N 3.37Å; Q383-V413 HydrophobicContact CB-CG2 4.08Å; Q383-V413 HydrophobicContact CG-CG1 4Å; Q383-V413 HydrophobicContact CG-CG2 4.15Å
384V97.3Very high96.9Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-69.5-32.4179.4-60.30000112.5V349 V358 M361 I362 L380 G381 M382 I387 D388V349-V384 HydrophobicContact CG1-CG2 4.13Å; V358-V384 HydrophobicContact CG1-CG1 4.04Å; M361-V384 HydrophobicContact CB-CB 4.29Å; M361-V384 HydrophobicContact CB-CG1 3.98Å; M361-V384 HydrophobicContact CB-CG2 4.06Å; I362-V384 HydrophobicContact CG1-CB 3.76Å; I362-V384 HydrophobicContact CG1-CG1 3.95Å; L380-V384 HydrophobicContact CD1-CG1 4Å; L380-V384 HydrophobicContact CG-CG1 4.24Å; L380-V384 WeakPolarHBondContact O-CG1 3.49Å; L380-V384 WeakPolarHBondContact O-CG2 3.42Å; L380-V384 PolarHBondContact O-N 2.84Å; G381-V384 VanDerWaalsContact O-CG2 3.23Å; G381-V384 WeakPolarHBondContact O-CG2 3.45Å; M382-V384 PolarHBondContact O-N 3.06Å; V384-I387 PolarHBondContact O-N 3.41Å; V384-D388 PolarHBondContact O-N 3.32Å
385A97.9Very high96.9Very high2 Ų216 Ų162%0.0178%0.082CC..Hα-helixtrans-66.6-41.6172.900000111.6A365 Y375 G381 M382 Q383 I387 D388 Y389 I501 F509 A511A365-A385 HydrophobicContact CB-CB 4.27Å; Y375-A385 HydrophobicContact CE1-CB 3.89Å; G381-A385 WeakPolarHBondContact O-CB 3.34Å; G381-A385 PolarHBondContact O-N 3.03Å; G381-A385 VanDerWaalsContact O-N 3.13Å; M382-A385 PolarHBondContact O-N 3.14Å; Q383-A385 VanDerWaalsContact C-N 3.35Å; Q383-A385 PolarHBondContact O-N 3.03Å; A385-I387 VanDerWaalsContact C-N 3.35Å; A385-D388 PolarHBondContact O-N 2.7Å; A385-Y389 PolarHBondContact O-N 3.14Å; A385-I501 HydrophobicContact CB-CD1 4.44Å; A385-F509 HydrophobicContact CB-CE1 3.94Å; A385-F509 HydrophobicContact CB-CZ 3.98Å; A385-A511 HydrophobicContact CB-CB 4.34Å
386L97.7Very high96.7Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-63.1-42.3173.9-175.366.7000111.5M382 Q383 Y389 A390 V412 V413 V473 I481 L486 I501M382-L386 PolarHBondContact O-N 2.97Å; Q383-L386 PolarHBondContact O-N 3.46Å; L386-Y389 PolarHBondContact O-N 2.69Å; L386-A390 VanDerWaalsContact O-CB 3.29Å; L386-A390 WeakPolarHBondContact O-CB 3.45Å; L386-A390 PolarHBondContact O-N 2.8Å; L386-V412 HydrophobicContact CD2-CB 4.49Å; L386-V413 HydrophobicContact CD2-CG2 3.89Å; L386-V473 HydrophobicContact CD2-CB 4.25Å; L386-V473 HydrophobicContact CD2-CG1 3.75Å; L386-V473 HydrophobicContact CD2-CG2 3.73Å; L386-I481 HydrophobicContact CD1-CD1 3.81Å; L386-I481 HydrophobicContact CD1-CG2 4.01Å; L386-I481 HydrophobicContact CG-CD1 4.28Å; L386-L486 HydrophobicContact CD1-CD2 3.5Å; L386-I501 HydrophobicContact CB-CD1 4.1Å; L386-I501 HydrophobicContact CD1-CD1 4.47Å
387I97.2Very high96.3Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-63.4-46.3176.8-69.6163.3000111.1I362 Q383 V384 A385 Y389 A390 R391 A399 V412I362-I387 HydrophobicContact CD1-CB 4.32Å; I362-I387 HydrophobicContact CD1-CD1 4.48Å; I362-I387 HydrophobicContact CD1-CG2 3.59Å; I362-I387 HydrophobicContact CG1-CB 4.36Å; I362-I387 HydrophobicContact CG1-CG2 4.03Å; I362-I387 HydrophobicContact CG2-CG2 4.31Å; Q383-I387 WeakPolarHBondContact O-CD1 3.44Å; Q383-I387 WeakPolarHBondContact O-CG1 3.31Å; Q383-I387 PolarHBondContact O-N 3.37Å; V384-I387 PolarHBondContact O-N 3.41Å; A385-I387 VanDerWaalsContact C-N 3.35Å; I387-Y389 PolarHBondContact O-N 3Å; I387-A390 PolarHBondContact O-N 2.93Å; I387-R391 HydrophobicContact CG2-CG 4.3Å; I387-R391 WeakPolarHBondContact O-CB 3.41Å; I387-R391 VanDerWaalsContact O-CG 3.3Å; I387-R391 WeakPolarHBondContact O-CG 3.42Å; I387-R391 PolarHBondContact O-N 3.09Å; I387-A399 VanDerWaalsContact CG2-O 3.3Å; I387-A399 WeakPolarHBondContact CG2-O 3.42Å; I387-V412 HydrophobicContact CG1-CG2 3.79Å
388D97.6Very high96Very high0 Ų028.2 Ų28.20%014%0.143CC..Hα-helixtrans-54.3-52.8173.8161.656.9000111I362 A365 R366 R369 V384 A385 A390 R391 H392I362-D388 HydrophobicContact CG2-CB 4.11Å; A365-D388 HydrophobicContact CB-CB 4.32Å; R366-D388 WeakPolarHBondContact CA-OD1 3.49Å; R366-D388 WeakPolarHBondContact CB-OD1 3.39Å; R366-D388 WeakPolarHBondContact CG-OD1 3.42Å; R369-D388 IonicContact CZ-OD1 3.92Å; R369-D388 IonicContact CZ-OD2 3.34Å; R369-D388 IonicContact NE-OD2 2.74Å; R369-D388 PolarHBondContact NE-OD2 3.18Å; R369-D388 IonicContact NH2-OD1 2.94Å; R369-D388 PolarHBondContact NH2-OD1 3.26Å; R369-D388 IonicContact NH2-OD2 3.08Å; R369-D388 PolarHBondContact NH2-OD2 3.01Å; R369-D388 VanDerWaalsContact NH2-OD2 3.08Å; V384-D388 PolarHBondContact O-N 3.32Å; A385-D388 PolarHBondContact O-N 2.7Å; D388-A390 VanDerWaalsContact C-N 3.33Å; D388-A390 PolarHBondContact O-N 2.64Å; D388-R391 PolarHBondContact O-N 2.7Å; D388-H392 PolarHBondContact O-N 3.41Å; D388-H392 PolarHBondContact O-ND1 3.13Å; D388-H392 IonicContact OD1-CE1 3.58Å; D388-H392 IonicContact OD1-CG 3.62Å; D388-H392 IonicContact OD1-ND1 2.74Å; D388-H392 PolarHBondContact OD1-ND1 2.97Å
389Y97.8Very high95.7Very high17 Ų1728.2 Ų28.27%0.06714%0.143CC..Hα-helixtrans-62.1-43.1-176.4-151.8-82000111.6A385 L386 I387 V393 A394 I481 A484 G485 L486 V503A385-Y389 PolarHBondContact O-N 3.14Å; L386-Y389 PolarHBondContact O-N 2.69Å; I387-Y389 PolarHBondContact O-N 3Å; Y389-V393 HydrophobicContact CD1-CB 3.83Å; Y389-V393 HydrophobicContact CD1-CG1 4.3Å; Y389-V393 HydrophobicContact CD1-CG2 4.23Å; Y389-V393 HydrophobicContact CD2-CG2 4.13Å; Y389-V393 HydrophobicContact CE1-CB 3.72Å; Y389-V393 HydrophobicContact CE1-CG1 3.66Å; Y389-V393 HydrophobicContact CE1-CG2 4.22Å; Y389-V393 HydrophobicContact CE2-CG2 4.13Å; Y389-V393 HydrophobicContact CG-CB 4.28Å; Y389-V393 HydrophobicContact CG-CG2 4.18Å; Y389-V393 WeakPolarHBondContact O-CA 3.39Å; Y389-V393 WeakPolarHBondContact O-CB 3.27Å; Y389-V393 PolarHBondContact O-N 2.93Å; Y389-A394 PolarHBondContact O-N 3.46Å; Y389-I481 HydrophobicContact CD1-CG2 3.86Å; Y389-A484 HydrophobicContact CE1-CB 4.09Å; Y389-A484 PolarHBondContact OH-O 2.81Å; Y389-G485 WeakPolarHBondContact OH-CA 3.42Å; Y389-L486 HydrophobicContact CD1-CB 3.8Å; Y389-L486 HydrophobicContact CD2-CD1 3.94Å; Y389-L486 HydrophobicContact CE1-CB 3.68Å; Y389-L486 HydrophobicContact CE2-CB 4.42Å; Y389-L486 HydrophobicContact CE2-CD1 4.22Å; Y389-L486 HydrophobicContact CG-CB 4.22Å; Y389-L486 HydrophobicContact CG-CD1 4.1Å; Y389-L486 PolarHBondContact OH-N 3.46Å; Y389-V503 HydrophobicContact CD2-CG2 4.03Å; Y389-V503 HydrophobicContact CE2-CG1 4.03Å; Y389-V503 HydrophobicContact CE2-CG2 3.83Å
390A97.1Very high95.6Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-59.9-47.9175.900000111.8L386 I387 D388 A394 N395 M396 A399 V412 I481L386-A390 VanDerWaalsContact O-CB 3.29Å; L386-A390 WeakPolarHBondContact O-CB 3.45Å; L386-A390 PolarHBondContact O-N 2.8Å; I387-A390 PolarHBondContact O-N 2.93Å; D388-A390 VanDerWaalsContact C-N 3.33Å; D388-A390 PolarHBondContact O-N 2.64Å; A390-A394 CarbonylContact O-C 3.47Å; A390-A394 PolarHBondContact O-N 2.76Å; A390-N395 PolarHBondContact O-N 3.22Å; A390-M396 HydrophobicContact CB-CB 4.25Å; A390-M396 HydrophobicContact CB-SD 3.99Å; A390-M396 WeakPolarHBondContact O-CB 3.38Å; A390-M396 PolarHBondContact O-N 2.92Å; A390-A399 HydrophobicContact CB-CB 3.74Å; A390-V412 HydrophobicContact CB-CG1 3.87Å; A390-V412 HydrophobicContact CB-CG2 4.42Å; A390-I481 HydrophobicContact CB-CD1 4.04Å; A390-I481 HydrophobicContact CB-CG1 4.31Å
391R96.8Very high95.5Very high40 Ų4028.2 Ų28.215%0.15114%0.142CC..Hα-helixtrans-65.3-50.2-178.9-74.2-177.8-177.2-176.57.4112.4E359 I387 D388 A399 N400E359-R391 VanDerWaalsContact CD-NH1 3.35Å; E359-R391 IonicContact OE1-CZ 3.41Å; E359-R391 IonicContact OE1-NH1 3.07Å; E359-R391 PolarHBondContact OE1-NH1 2.84Å; E359-R391 VanDerWaalsContact OE1-NH1 3.07Å; E359-R391 IonicContact OE1-NH2 2.82Å; E359-R391 PolarHBondContact OE1-NH2 3.18Å; E359-R391 IonicContact OE2-CZ 3.82Å; E359-R391 IonicContact OE2-NH1 2.79Å; E359-R391 PolarHBondContact OE2-NH1 3.37Å; E359-R391 IonicContact OE2-NH2 3.96Å; I387-R391 HydrophobicContact CG2-CG 4.3Å; I387-R391 WeakPolarHBondContact O-CB 3.41Å; I387-R391 VanDerWaalsContact O-CG 3.3Å; I387-R391 WeakPolarHBondContact O-CG 3.42Å; I387-R391 PolarHBondContact O-N 3.09Å; D388-R391 PolarHBondContact O-N 2.7Å; R391-A399 HydrophobicContact CG-CB 4.02Å; R391-A399 PolarHBondContact NE-O 3.13Å; R391-A399 PolarHBondContact NH2-O 2.88Å; R391-N400 PolarHBondContact NH2-ND2 3.13Å
392H96.5Very high95.1Very high74 Ų7429.5 Ų29.534%0.34315%0.15SC..Hα-helixtrans-101.8-17.3-163.4-54.9106.2000114.2R366 D388R366-H392 PolarHBondContact NH1-CD2 3.02Å; R366-H392 PolarHBondContact NH1-NE2 2.89Å; D388-H392 PolarHBondContact O-N 3.41Å; D388-H392 PolarHBondContact O-ND1 3.13Å; D388-H392 IonicContact OD1-CE1 3.58Å; D388-H392 IonicContact OD1-CG 3.62Å; D388-H392 IonicContact OD1-ND1 2.74Å; D388-H392 PolarHBondContact OD1-ND1 2.97Å
393V96.5Very high94.6Very high45 Ų4531.4 Ų31.427%0.27316%0.159SC..THydrogen-bonded Turntrans-115.2-45.3179.7-168.10000111.2Y389 N395 A484Y389-V393 HydrophobicContact CD1-CB 3.83Å; Y389-V393 HydrophobicContact CD1-CG1 4.3Å; Y389-V393 HydrophobicContact CD1-CG2 4.23Å; Y389-V393 HydrophobicContact CD2-CG2 4.13Å; Y389-V393 HydrophobicContact CE1-CB 3.72Å; Y389-V393 HydrophobicContact CE1-CG1 3.66Å; Y389-V393 HydrophobicContact CE1-CG2 4.22Å; Y389-V393 HydrophobicContact CE2-CG2 4.13Å; Y389-V393 HydrophobicContact CG-CB 4.28Å; Y389-V393 HydrophobicContact CG-CG2 4.18Å; Y389-V393 WeakPolarHBondContact O-CA 3.39Å; Y389-V393 WeakPolarHBondContact O-CB 3.27Å; Y389-V393 PolarHBondContact O-N 2.93Å; V393-N395 VanDerWaalsContact C-N 3.3Å; V393-N395 PolarHBondContact O-N 2.91Å; V393-A484 HydrophobicContact CG1-CB 4.23Å
394A94.9Very high94.3Very high9 Ų932 Ų327%0.07416%0.161CC..SBendtrans-85.54.5-179.700000114.6Y389 A390 M396 A484Y389-A394 PolarHBondContact O-N 3.46Å; A390-A394 CarbonylContact O-C 3.47Å; A390-A394 PolarHBondContact O-N 2.76Å; A394-M396 HydrophobicContact CB-CG 4.28Å; A394-M396 PolarHBondContact O-N 3.19Å; A394-A484 HydrophobicContact CB-CB 3.72Å
395N93.3Very high93.9Very high136 Ų13633.8 Ų33.873%0.72717%0.173SC*.  trans55.729.7-178.8-58-60.6000114.4A390 V393 E397A390-N395 PolarHBondContact O-N 3.22Å; V393-N395 VanDerWaalsContact C-N 3.3Å; V393-N395 PolarHBondContact O-N 2.91Å; N395-E397 VanDerWaalsContact C-N 3.34Å; N395-E397 PolarHBondContact O-N 2.95Å
396M92.7Very high93.3Very high0 Ų037.8 Ų37.80%020%0.199CC..  trans-88.574.4173.6-60-178.1178.200109.7A390 A394 N398 A399 Y410 V412 L477 Q480 I481A390-M396 HydrophobicContact CB-CB 4.25Å; A390-M396 HydrophobicContact CB-SD 3.99Å; A390-M396 WeakPolarHBondContact O-CB 3.38Å; A390-M396 PolarHBondContact O-N 2.92Å; A394-M396 HydrophobicContact CB-CG 4.28Å; A394-M396 PolarHBondContact O-N 3.19Å; M396-N398 PolarHBondContact O-N 3.45Å; M396-A399 HydrophobicContact CB-CB 3.86Å; M396-A399 VanDerWaalsContact O-CB 3.23Å; M396-A399 WeakPolarHBondContact O-CB 3.41Å; M396-A399 PolarHBondContact O-N 3.4Å; M396-Y410 HydrophobicContact CB-CD2 3.73Å; M396-Y410 HydrophobicContact CB-CE2 4.16Å; M396-Y410 HydrophobicContact CB-CG 3.95Å; M396-Y410 HydrophobicContact CG-CD2 4.46Å; M396-Y410 HydrophobicContact CG-CG 4.35Å; M396-V412 HydrophobicContact SD-CG1 3.83Å; M396-L477 HydrophobicContact CE-CB 4.34Å; M396-Q480 HydrophobicContact CE-CB 3.5Å; M396-Q480 HydrophobicContact CE-CG 3.5Å; M396-Q480 VanDerWaalsContact CE-CG 3.5Å; M396-I481 HydrophobicContact CE-CG1 3.75Å; M396-I481 HydrophobicContact SD-CD1 4.37Å; M396-I481 HydrophobicContact SD-CG1 4.02Å
397E90.3Very high92.7Very high147 Ų14744.6 Ų44.669%0.68724%0.235SC*.THydrogen-bonded Turntrans-53.4132.1-179.4-164.6179.5-172.100111.3N395 A399 Y410N395-E397 VanDerWaalsContact C-N 3.34Å; N395-E397 PolarHBondContact O-N 2.95Å; E397-A399 PolarHBondContact O-N 3.45Å; E397-Y410 WeakPolarHBondContact O-CD2 3.49Å
398N90.7Very high92Very high109 Ų10945.5 Ų45.558%0.58324%0.241SC*.THydrogen-bonded Turntrans59.324.7-174.4-55.2-52.4000115.2M396 N400M396-N398 PolarHBondContact O-N 3.45Å; N398-N400 PolarHBondContact O-N 3.44Å
399A92.6Very high91.4Very high0 Ų052.9 Ų52.90%027%0.273CS..  trans-54.8138.4167.500000111I387 A390 R391 M396 E397 Y410 V412I387-A399 VanDerWaalsContact CG2-O 3.3Å; I387-A399 WeakPolarHBondContact CG2-O 3.42Å; A390-A399 HydrophobicContact CB-CB 3.74Å; R391-A399 HydrophobicContact CG-CB 4.02Å; R391-A399 PolarHBondContact NE-O 3.13Å; R391-A399 PolarHBondContact NH2-O 2.88Å; M396-A399 HydrophobicContact CB-CB 3.86Å; M396-A399 VanDerWaalsContact O-CB 3.23Å; M396-A399 WeakPolarHBondContact O-CB 3.41Å; M396-A399 PolarHBondContact O-N 3.4Å; E397-A399 PolarHBondContact O-N 3.45Å; A399-Y410 WeakPolarHBondContact CA-O 3.35Å; A399-V412 HydrophobicContact CB-CG1 3.95Å; A399-V412 HydrophobicContact CB-CG2 4.19Å
400N93.7Very high91.1Very high6 Ų654.7 Ų54.73%0.03228%0.28CS..EExtended strand (participates in β ladder)trans-156.5179-177.2-141.1-42.9000112R391 N398 F404 V405 C408 Y410 P411 V412R391-N400 PolarHBondContact NH2-ND2 3.13Å; N398-N400 PolarHBondContact O-N 3.44Å; N400-F404 WeakPolarHBondContact OD1-CD2 3.31Å; N400-V405 HydrophobicContact CB-CB 4.22Å; N400-V405 HydrophobicContact CB-CG2 4.34Å; N400-V405 WeakPolarHBondContact ND2-CG2 3.47Å; N400-C408 HydrophobicContact CB-CB 3.91Å; N400-Y410 PolarHBondContact N-O 3.16Å; N400-P411 CarbonylContact O-C 3.55Å; N400-P411 WeakPolarHBondContact O-CA 3.34Å; N400-V412 PolarHBondContact O-N 3.1Å; N400-V412 VanDerWaalsContact O-N 3.1Å
401S92.7Very high90.8Very high0 Ų056.2 Ų56.20%029%0.29CS..EExtended strand (participates in β ladder)trans-89.6142165.6179.90000110.7E403 F404 V405 V413S401-E403 PolarHBondContact O-N 2.91Å; S401-E403 WeakPolarHBondContact OG-CB 3.38Å; S401-E403 PolarHBondContact OG-N 2.99Å; S401-E403 VanDerWaalsContact OG-N 3.12Å; S401-F404 PolarHBondContact O-N 3.22Å; S401-V405 PolarHBondContact O-N 2.9Å; S401-V413 CarbonylContact C-O 3.53Å; S401-V413 VanDerWaalsContact CA-O 3.23Å; S401-V413 WeakPolarHBondContact CA-O 3.3Å; S401-V413 WeakPolarHBondContact OG-CG1 3.15Å
402T89.2Confident90.6Very high28 Ų2854.4 Ų54.417%0.17228%0.283CS..THydrogen-bonded Turntrans-66-13.5170.165.60000112.8F404 P411 V413 A414T402-F404 PolarHBondContact O-N 3.48Å; T402-P411 HydrophobicContact CG2-CB 3.51Å; T402-V413 PolarHBondContact N-O 3.18Å; T402-A414 HydrophobicContact CG2-CB 4.04Å; T402-A414 WeakPolarHBondContact OG1-CA 3.41Å
403E87.8Confident90.4Very high39 Ų3950.9 Ų50.918%0.18227%0.267CS..THydrogen-bonded Turntrans-61.8-35.1169.3-171.1175.5170.500112G354 S401 Y471G354-E403 PolarHBondContact N-OE1 3.28Å; G354-E403 VanDerWaalsContact N-OE1 3.12Å; S401-E403 PolarHBondContact O-N 2.91Å; S401-E403 WeakPolarHBondContact OG-CB 3.38Å; S401-E403 PolarHBondContact OG-N 2.99Å; S401-E403 VanDerWaalsContact OG-N 3.12Å; E403-Y471 VanDerWaalsContact CA-CZ 3.48Å; E403-Y471 WeakPolarHBondContact CA-OH 3.22Å; E403-Y471 HydrophobicContact CB-CD1 3.91Å; E403-Y471 HydrophobicContact CB-CD2 3.82Å; E403-Y471 HydrophobicContact CB-CE1 3.58Å; E403-Y471 HydrophobicContact CB-CE2 3.48Å; E403-Y471 VanDerWaalsContact CB-CE2 3.48Å; E403-Y471 HydrophobicContact CB-CG 4.03Å; E403-Y471 VanDerWaalsContact CD-CE2 3.49Å; E403-Y471 HydrophobicContact CG-CD2 3.97Å; E403-Y471 HydrophobicContact CG-CE1 4.34Å; E403-Y471 HydrophobicContact CG-CE2 3.37Å; E403-Y471 WeakPolarHBondContact OE2-CD2 3.38Å; E403-Y471 WeakPolarHBondContact OE2-CE2 3.36Å
404F89.8Confident90Very high19 Ų1949.7 Ų49.78%0.08326%0.262CS..THydrogen-bonded Turntrans-105.1-43.8-168.1-56.5-33.7000111.7Y355 V358 L380 N400 S401 T402Y355-F404 HydrophobicContact CD2-CB 3.44Å; Y355-F404 VanDerWaalsContact CD2-CB 3.44Å; Y355-F404 HydrophobicContact CD2-CD1 4Å; Y355-F404 AromaticContact CD2-CG 3.76Å; Y355-F404 HydrophobicContact CD2-CG 3.76Å; Y355-F404 HydrophobicContact CE2-CB 3.87Å; Y355-F404 HydrophobicContact CE2-CG 4.44Å; Y355-F404 HydrophobicContact CG-CB 4.38Å; V358-F404 HydrophobicContact CG1-CD2 3.8Å; V358-F404 HydrophobicContact CG1-CE2 3.83Å; V358-F404 HydrophobicContact CG1-CG 4.44Å; V358-F404 HydrophobicContact CG1-CZ 4.46Å; V358-F404 HydrophobicContact CG2-CD1 4.22Å; V358-F404 HydrophobicContact CG2-CD2 4.36Å; V358-F404 HydrophobicContact CG2-CE1 3.95Å; V358-F404 HydrophobicContact CG2-CE2 4.13Å; V358-F404 HydrophobicContact CG2-CG 4.46Å; V358-F404 HydrophobicContact CG2-CZ 3.94Å; L380-F404 HydrophobicContact CD1-CE2 3.99Å; L380-F404 HydrophobicContact CD1-CZ 3.52Å; N400-F404 WeakPolarHBondContact OD1-CD2 3.31Å; S401-F404 PolarHBondContact O-N 3.22Å; T402-F404 PolarHBondContact O-N 3.48Å
405V89.5Confident89.3Confident39 Ų3951.4 Ų51.424%0.23627%0.269CS..  trans-132.888.6-179.4-173.90000107.6N400 S401 D407 C408N400-V405 HydrophobicContact CB-CB 4.22Å; N400-V405 HydrophobicContact CB-CG2 4.34Å; N400-V405 WeakPolarHBondContact ND2-CG2 3.47Å; S401-V405 PolarHBondContact O-N 2.9Å; V405-D407 WeakPolarHBondContact CG1-OD1 3.13Å; V405-D407 PolarHBondContact O-N 3.44Å; V405-D407 VanDerWaalsContact O-N 3.12Å; V405-C408 HydrophobicContact CB-CB 4.01Å; V405-C408 HydrophobicContact CG1-CB 3.82Å; V405-C408 WeakPolarHBondContact O-CB 3.26Å; V405-C408 PolarHBondContact O-N 3.47Å; V405-C408 VanDerWaalsContact O-N 3.14Å; V405-C408 PolarHBondContact O-SG 3Å
406P84.3Confident88Confident86 Ų8646.8 Ų46.856%0.55824%0.244SC*.THydrogen-bonded Turntrans-57.3-28.5-174-26.935.2000114.2
407D85.2Confident86.4Confident143 Ų14351 Ų5177%0.76527%0.27SS*.THydrogen-bonded Turntrans-103.818.8-176.963-26.8000113.7V405V405-D407 WeakPolarHBondContact CG1-OD1 3.13Å; V405-D407 PolarHBondContact O-N 3.44Å; V405-D407 VanDerWaalsContact O-N 3.12Å
408C83.3Confident84.4Confident18 Ų1849.8 Ų49.812%0.12227%0.265CS..  trans-63.4140.5178.6630000112.2N400 V405 Y410 P411N400-C408 HydrophobicContact CB-CB 3.91Å; V405-C408 HydrophobicContact CB-CB 4.01Å; V405-C408 HydrophobicContact CG1-CB 3.82Å; V405-C408 WeakPolarHBondContact O-CB 3.26Å; V405-C408 PolarHBondContact O-N 3.47Å; V405-C408 VanDerWaalsContact O-N 3.14Å; V405-C408 PolarHBondContact O-SG 3Å; C408-Y410 VanDerWaalsContact C-N 3.29Å; C408-Y410 PolarHBondContact O-N 2.92Å; C408-P411 VanDerWaalsContact SG-CA 3.55Å
409K85.6Confident82.4Confident156 Ų15646.4 Ų46.468%0.67824%0.244SC*.SBendtrans-61.8-36.4-178.8-178.8-179.2175.3-172.90112.8P411K409-P411 WeakPolarHBondContact O-CD 3.21Å
410Y90.5Very high80Confident55 Ų5554.5 Ų54.522%0.21627%0.274CS..SBendtrans-121.684.9179.2-58.5-67.6000109.4M396 E397 A399 N400 C408 V412 L477M396-Y410 HydrophobicContact CB-CD2 3.73Å; M396-Y410 HydrophobicContact CB-CE2 4.16Å; M396-Y410 HydrophobicContact CB-CG 3.95Å; M396-Y410 HydrophobicContact CG-CD2 4.46Å; M396-Y410 HydrophobicContact CG-CG 4.35Å; E397-Y410 WeakPolarHBondContact O-CD2 3.49Å; A399-Y410 WeakPolarHBondContact CA-O 3.35Å; N400-Y410 PolarHBondContact N-O 3.16Å; C408-Y410 VanDerWaalsContact C-N 3.29Å; C408-Y410 PolarHBondContact O-N 2.92Å; Y410-V412 PolarHBondContact O-N 2.58Å; Y410-L477 HydrophobicContact CD1-CD2 4.31Å
411P91.3Very high77.9Confident32 Ų3256.1 Ų56.121%0.20828%0.283CS..EExtended strand (participates in β ladder)trans-76.175.4176.631.5-34.5000109.7N400 T402 C408 K409 V413 N474N400-P411 CarbonylContact O-C 3.55Å; N400-P411 WeakPolarHBondContact O-CA 3.34Å; T402-P411 HydrophobicContact CG2-CB 3.51Å; C408-P411 VanDerWaalsContact SG-CA 3.55Å; K409-P411 WeakPolarHBondContact O-CD 3.21Å; P411-V413 PolarHBondContact O-N 3.23Å; P411-N474 WeakPolarHBondContact O-CB 3.42Å; P411-N474 PolarHBondContact O-ND2 2.95Å
412V92.9Very high75.6Confident1 Ų162.7 Ų62.71%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-68-21.4-178.3-65.10000112.3L386 I387 A390 M396 A399 N400 Y410 N474 L477 I481L386-V412 HydrophobicContact CD2-CB 4.49Å; I387-V412 HydrophobicContact CG1-CG2 3.79Å; A390-V412 HydrophobicContact CB-CG1 3.87Å; A390-V412 HydrophobicContact CB-CG2 4.42Å; M396-V412 HydrophobicContact SD-CG1 3.83Å; A399-V412 HydrophobicContact CB-CG1 3.95Å; A399-V412 HydrophobicContact CB-CG2 4.19Å; N400-V412 PolarHBondContact O-N 3.1Å; N400-V412 VanDerWaalsContact O-N 3.1Å; Y410-V412 PolarHBondContact O-N 2.58Å; V412-N474 PolarHBondContact O-N 3.45Å; V412-L477 HydrophobicContact CG1-CB 4.37Å; V412-L477 HydrophobicContact CG1-CD1 3.88Å; V412-I481 HydrophobicContact CB-CD1 4.15Å; V412-I481 HydrophobicContact CG1-CD1 3.84Å
413V92.3Very high73.5Confident1 Ų167.9 Ų67.91%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-123129.4168.2175.40000107.3Q383 L386 S401 T402 P411 E472Q383-V413 HydrophobicContact CB-CG2 4.08Å; Q383-V413 HydrophobicContact CG-CG1 4Å; Q383-V413 HydrophobicContact CG-CG2 4.15Å; L386-V413 HydrophobicContact CD2-CG2 3.89Å; S401-V413 CarbonylContact C-O 3.53Å; S401-V413 VanDerWaalsContact CA-O 3.23Å; S401-V413 WeakPolarHBondContact CA-O 3.3Å; S401-V413 WeakPolarHBondContact OG-CG1 3.15Å; T402-V413 PolarHBondContact N-O 3.18Å; P411-V413 PolarHBondContact O-N 3.23Å; V413-E472 CarbonylContact C-O 3.52Å; V413-E472 WeakPolarHBondContact CA-O 3.21Å
414A86.8Confident71.4Confident19 Ų1967.9 Ų67.916%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-147.8161-175.600000111.8T402 I416 E472 N474T402-A414 HydrophobicContact CG2-CB 4.04Å; T402-A414 WeakPolarHBondContact OG1-CA 3.41Å; A414-I416 PolarHBondContact O-N 3.32Å; A414-E472 PolarHBondContact N-O 3.18Å; A414-E472 PolarHBondContact O-N 2.82Å; A414-N474 HydrophobicContact CB-CB 4.49Å
415L80.5Confident69.4Low45 Ų4571.4 Ų71.424%0.23637%0.37CS..EExtended strand (participates in β ladder)trans-72.5123.7172.2-149.9109.9000108.8T417 R429 R470 Y471L415-T417 PolarHBondContact O-N 3.1Å; L415-R429 HydrophobicContact CD2-CB 4.19Å; L415-R470 HydrophobicContact CD1-CB 4.14Å; L415-Y471 HydrophobicContact CB-CD1 4.23Å; L415-Y471 HydrophobicContact CB-CE1 4.11Å; L415-Y471 HydrophobicContact CD1-CD1 4.11Å; L415-Y471 HydrophobicContact CD1-CE1 3.69Å; L415-Y471 HydrophobicContact CD1-CE2 4.15Å
416I67.1Low67.4Low40 Ų4073 Ų7321%0.20538%0.38CS..  trans-74.7123.5170.5-77.7-179.2000108.6A414 E418 W419 R429 E472 L497A414-I416 PolarHBondContact O-N 3.32Å; I416-E418 VanDerWaalsContact C-N 3.32Å; I416-E418 WeakPolarHBondContact CG2-O 3.45Å; I416-W419 HydrophobicContact CG2-CB 4.26Å; I416-R429 WeakPolarHBondContact O-CD 3.16Å; I416-E472 HydrophobicContact CB-CG 4.45Å; I416-E472 HydrophobicContact CD1-CB 3.59Å; I416-E472 HydrophobicContact CD1-CG 3.76Å; I416-E472 HydrophobicContact CG1-CB 3.86Å; I416-E472 HydrophobicContact CG1-CG 4.09Å; I416-L497 HydrophobicContact CD1-CD2 3.17Å
417T57.4Low65.7Low89 Ų8972 Ų7255%0.54637%0.368SS..SBendtrans-75.8-18.3179.547.50000113L415 V428 R429L415-T417 PolarHBondContact O-N 3.1Å; T417-V428 CarbonylContact O-C 3.59Å; T417-V428 VanDerWaalsContact O-CA 3.3Å; T417-V428 WeakPolarHBondContact O-CA 3.46Å; T417-R429 PolarHBondContact O-N 3.37Å
418E48.8Very low63.9Low121 Ų12170.1 Ų70.157%0.56536%0.362SS*.EExtended strand (participates in β ladder)trans-143.6121.6178.8-63.8-172.716900111.4I416 V426 E427 V428I416-E418 VanDerWaalsContact C-N 3.32Å; I416-E418 WeakPolarHBondContact CG2-O 3.45Å; E418-V426 HydrophobicContact CB-CG1 4.3Å; E418-E427 VanDerWaalsContact CA-O 3.32Å; E418-E427 WeakPolarHBondContact CA-O 3.35Å; E418-V428 HydrophobicContact CG-CB 4.48Å; E418-V428 HydrophobicContact CG-CG1 4.24Å; E418-V428 HydrophobicContact CG-CG2 4.14Å
419W48.5Very low62.5Low37 Ų3770 Ų7014%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-138.9159.617480.1-56.8000110.6I416 D421 V426 E427 R429 R440I416-W419 HydrophobicContact CG2-CB 4.26Å; W419-D421 HydrophobicContact CH2-CB 4.41Å; W419-V426 CarbonylContact O-C 3.52Å; W419-V426 WeakPolarHBondContact O-CA 3.36Å; W419-E427 PolarHBondContact N-O 3.32Å; W419-E427 PolarHBondContact NE1-OE2 3.03Å; W419-E427 VanDerWaalsContact NE1-OE2 3.08Å; W419-E427 PolarHBondContact O-N 2.85Å; W419-R429 VanDerWaalsContact CD1-NE 3.27Å; W419-R440 HydrophobicContact CH2-CB 4.44Å; W419-R440 HydrophobicContact CH2-CG 4.22Å; W419-R440 HydrophobicContact CZ3-CB 4.49Å; W419-R440 HydrophobicContact CZ3-CG 3.91Å
420R42.2Very low61.1Low171 Ų17165.7 Ų65.765%0.64535%0.348SS*.EExtended strand (participates in β ladder)trans-102128.7175.4-74.4-176.7178.5-158.8-0.8110.7N425 V426R420-N425 VanDerWaalsContact CA-O 3.3Å; R420-N425 WeakPolarHBondContact CA-O 3.46Å; R420-V426 HydrophobicContact CG-CG2 3.73Å
421D49.6Very low59.4Low39 Ų3971.6 Ų71.621%0.20938%0.377CS..  trans-74.3176.5171.574.24.3000111.9W419 N423 G424 N425W419-D421 HydrophobicContact CH2-CB 4.41Å; D421-N423 PolarHBondContact O-N 3.1Å; D421-N423 VanDerWaalsContact O-N 3.15Å; D421-N423 VanDerWaalsContact OD1-C 3.31Å; D421-N423 WeakPolarHBondContact OD1-CA 3.42Å; D421-N423 WeakPolarHBondContact OD1-CB 3.39Å; D421-N423 PolarHBondContact OD1-N 2.7Å; D421-G424 PolarHBondContact O-N 3.07Å; D421-G424 PolarHBondContact OD1-N 3.37Å; D421-N425 PolarHBondContact N-O 3.4Å; D421-N425 WeakPolarHBondContact OD1-CB 3.39Å; D421-N425 PolarHBondContact OD1-N 3.38Å; D421-N425 PolarHBondContact OD2-ND2 3.23Å
422E45.1Very low57.7Low138 Ų13879.5 Ų79.565%0.64541%0.409SS*.THydrogen-bonded Turntrans-59.9-21.8177.4-66.4178.9-170.800113.8G424E422-G424 VanDerWaalsContact C-N 3.32Å
423N45.5Very low55.9Low137 Ų13781.3 Ų81.373%0.73342%0.421SS*.THydrogen-bonded Turntrans-89.20.4176.3-60.8-56.9000112.5D421 N425D421-N423 PolarHBondContact O-N 3.1Å; D421-N423 VanDerWaalsContact O-N 3.15Å; D421-N423 VanDerWaalsContact OD1-C 3.31Å; D421-N423 WeakPolarHBondContact OD1-CA 3.42Å; D421-N423 WeakPolarHBondContact OD1-CB 3.39Å; D421-N423 PolarHBondContact OD1-N 2.7Å; N423-N425 VanDerWaalsContact C-N 3.33Å
424G43.6Very low54Low39 Ų3987.9 Ų87.940%0.40246%0.456SS..  trans78.510.3-17800000114.6D421 E422D421-G424 PolarHBondContact O-N 3.07Å; D421-G424 PolarHBondContact OD1-N 3.37Å; E422-G424 VanDerWaalsContact C-N 3.32Å
425N47.4Very low52.5Low94 Ų9492.7 Ų92.750%0.50348%0.479SS..  trans-75.9128.9176.2-58.5-52000109.9R420 D421 N423 E427R420-N425 VanDerWaalsContact CA-O 3.3Å; R420-N425 WeakPolarHBondContact CA-O 3.46Å; D421-N425 PolarHBondContact N-O 3.4Å; D421-N425 WeakPolarHBondContact OD1-CB 3.39Å; D421-N425 PolarHBondContact OD1-N 3.38Å; D421-N425 PolarHBondContact OD2-ND2 3.23Å; N423-N425 VanDerWaalsContact C-N 3.33Å; N425-E427 PolarHBondContact O-N 2.87Å
426V47.6Very low50.9Low72 Ų7293 Ų9344%0.43649%0.493SS..EExtended strand (participates in β ladder)trans-77.9115.2171.7179.90000108.5E418 W419 R420 V428E418-V426 HydrophobicContact CB-CG1 4.3Å; W419-V426 CarbonylContact O-C 3.52Å; W419-V426 WeakPolarHBondContact O-CA 3.36Å; R420-V426 HydrophobicContact CG-CG2 3.73Å; V426-V428 HydrophobicContact CG1-CG2 4.34Å
427E48.2Very low49.9Very low64 Ų6493.4 Ų93.430%0.29951%0.506SS..EExtended strand (participates in β ladder)trans-92.6121.9169.1-72.4-151.6143.800110.9E418 W419 N425E418-E427 VanDerWaalsContact CA-O 3.32Å; E418-E427 WeakPolarHBondContact CA-O 3.35Å; W419-E427 PolarHBondContact N-O 3.32Å; W419-E427 PolarHBondContact NE1-OE2 3.03Å; W419-E427 VanDerWaalsContact NE1-OE2 3.08Å; W419-E427 PolarHBondContact O-N 2.85Å; N425-E427 PolarHBondContact O-N 2.87Å
428V46.8Very low49.7Very low105 Ų10589.9 Ų89.964%0.63649%0.485SS*.EExtended strand (participates in β ladder)trans-97.3126.4175.9-172.90000109.4T417 E418 V426T417-V428 CarbonylContact O-C 3.59Å; T417-V428 VanDerWaalsContact O-CA 3.3Å; T417-V428 WeakPolarHBondContact O-CA 3.46Å; E418-V428 HydrophobicContact CG-CB 4.48Å; E418-V428 HydrophobicContact CG-CG1 4.24Å; E418-V428 HydrophobicContact CG-CG2 4.14Å; V426-V428 HydrophobicContact CG1-CG2 4.34Å
429R55.1Low50.9Low16 Ų1685.2 Ų85.26%0.0646%0.463CS..  trans-118.5151.9-167.3-56-175.7-177.7164.6-9.9113.3L415 I416 T417 W419 T438L415-R429 HydrophobicContact CD2-CB 4.19Å; I416-R429 WeakPolarHBondContact O-CD 3.16Å; T417-R429 PolarHBondContact O-N 3.37Å; W419-R429 VanDerWaalsContact CD1-NE 3.27Å; R429-T438 HydrophobicContact CG-CG2 4.21Å; R429-T438 PolarHBondContact NE-O 2.87Å; R429-T438 PolarHBondContact NH2-O 3.49Å
430S55Low52.6Low65 Ų6583.4 Ų83.446%0.45546%0.457SS..  trans-141.3166.9164.574.70000111.1K432 S433S430-K432 PolarHBondContact O-N 2.94Å; S430-K432 PolarHBondContact OG-N 3.38Å; S430-S433 PolarHBondContact N-OG 3.2Å; S430-S433 VanDerWaalsContact N-OG 3.09Å; S430-S433 WeakPolarHBondContact O-CB 3.46Å; S430-S433 PolarHBondContact O-N 2.92Å; S430-S433 VanDerWaalsContact O-N 3.08Å; S430-S433 PolarHBondContact O-OG 3.06Å
431E56.1Low54.9Low178 Ų17876.6 Ų76.683%0.83243%0.433SS*.THydrogen-bonded Turntrans-57.3-15.9174.7-67-175.9166.300114.3
432K54.7Low56.9Low199 Ų19974.8 Ų74.887%0.86542%0.423SS*.THydrogen-bonded Turntrans-90.70.8179.8-61.9-173.9-179.41800114.3S430S430-K432 PolarHBondContact O-N 2.94Å; S430-K432 PolarHBondContact OG-N 3.38Å
433S55.8Low59.2Low39 Ų3969.1 Ų69.127%0.27340%0.4SS..SBendtrans-75.7150.1-177.4-38.60000110.9S430 L435 T438S430-S433 PolarHBondContact N-OG 3.2Å; S430-S433 VanDerWaalsContact N-OG 3.09Å; S430-S433 WeakPolarHBondContact O-CB 3.46Å; S430-S433 PolarHBondContact O-N 2.92Å; S430-S433 VanDerWaalsContact O-N 3.08Å; S430-S433 PolarHBondContact O-OG 3.06Å; S433-L435 PolarHBondContact O-N 3.47Å; S433-T438 VanDerWaalsContact CB-CG2 3.48Å
434D52.4Low61.5Low138 Ų13864 Ų6474%0.73837%0.372SS*.  trans-59.1136.9178.1-73.4-35.7000111.5G436 G437 T438D434-G436 VanDerWaalsContact C-N 3.29Å; D434-G436 PolarHBondContact O-N 3.19Å; D434-G437 PolarHBondContact O-N 3.3Å; D434-T438 PolarHBondContact O-OG1 3.05Å
435L54.1Low63.9Low121 Ų12167.8 Ų67.863%0.63438%0.379SS*.THydrogen-bonded Turntrans-60.2-34.6-172.3-67.5174.3000113.4S433S433-L435 PolarHBondContact O-N 3.47Å
436G48.5Very low66.2Low51 Ų5163.3 Ų63.353%0.52636%0.355SS..THydrogen-bonded Turntrans-84.8-24.7-177.300000114.9D434D434-G436 VanDerWaalsContact C-N 3.29Å; D434-G436 PolarHBondContact O-N 3.19Å
437G44.6Very low68.6Low48 Ų4863.6 Ų63.650%0.49535%0.352SS..THydrogen-bonded Turntrans-86.2-8.9-17500000114.9D434D434-G437 PolarHBondContact O-N 3.3Å
438T54.6Low71Confident16 Ų1661.2 Ų61.210%0.09834%0.341CS..THydrogen-bonded Turntrans-115.410.4-172.852.40000113.5R429 S433 D434R429-T438 HydrophobicContact CG-CG2 4.21Å; R429-T438 PolarHBondContact NE-O 2.87Å; R429-T438 PolarHBondContact NH2-O 3.49Å; S433-T438 VanDerWaalsContact CB-CG2 3.48Å; D434-T438 PolarHBondContact O-OG1 3.05Å
439M73.1Confident73.3Confident22 Ų2259 Ų5911%0.10833%0.328CS..  trans-90.7132.7-175.6-164.3170.6-70.100110.7F353 L441 R468 H469 R470F353-M439 HydrophobicContact CE1-CE 4.26Å; F353-M439 HydrophobicContact CZ-CE 4.43Å; M439-L441 HydrophobicContact CB-CD1 3.98Å; M439-L441 HydrophobicContact CB-CD2 4.5Å; M439-L441 HydrophobicContact CB-CG 3.87Å; M439-L441 HydrophobicContact CG-CD1 4.37Å; M439-L441 HydrophobicContact CG-CD2 3.99Å; M439-L441 HydrophobicContact CG-CG 3.83Å; M439-L441 PolarHBondContact O-N 2.9Å; M439-L441 HydrophobicContact SD-CD2 3.81Å; M439-L441 HydrophobicContact SD-CG 4.24Å; M439-R468 HydrophobicContact SD-CG 3.61Å; M439-H469 WeakPolarHBondContact CG-O 3.24Å; M439-R470 HydrophobicContact CB-CG 4.09Å; M439-R470 HydrophobicContact CE-CG 4.32Å; M439-R470 HydrophobicContact CG-CG 4.08Å
440R85.6Confident75Confident0 Ų063.5 Ų63.50%035%0.353CS..EExtended strand (participates in β ladder)trans-72.2109.1167.5-167.1176.5166.8-154.6-10.1107.1W419 Q444 H467 R468 H469 E472 E499W419-R440 HydrophobicContact CH2-CB 4.44Å; W419-R440 HydrophobicContact CH2-CG 4.22Å; W419-R440 HydrophobicContact CZ3-CB 4.49Å; W419-R440 HydrophobicContact CZ3-CG 3.91Å; R440-Q444 VanDerWaalsContact CG-NE2 3.33Å; R440-H467 HydrophobicContact CG-CB 4.13Å; R440-H467 PolarHBondContact NH2-CE1 3.44Å; R440-H467 PolarHBondContact NH2-NE2 3.3Å; R440-H467 CarbonylContact O-C 3.36Å; R440-H467 WeakPolarHBondContact O-CB 3.41Å; R440-R468 WeakPolarHBondContact O-CA 3.3Å; R440-R468 PolarHBondContact O-N 3.25Å; R440-H469 WeakPolarHBondContact CB-O 3.05Å; R440-H469 PolarHBondContact N-O 2.79Å; R440-H469 PolarHBondContact O-N 3.4Å; R440-E472 VanDerWaalsContact CD-OE1 3.29Å; R440-E472 WeakPolarHBondContact CD-OE1 3.29Å; R440-E472 IonicContact NH1-OE1 3.71Å; R440-E472 IonicContact NH1-OE2 2.71Å; R440-E499 IonicContact CZ-OE1 3.19Å; R440-E499 IonicContact CZ-OE2 3.49Å; R440-E499 IonicContact NH1-OE1 2.76Å; R440-E499 PolarHBondContact NH1-OE1 3.06Å; R440-E499 IonicContact NH1-OE2 2.93Å; R440-E499 PolarHBondContact NH1-OE2 2.98Å; R440-E499 VanDerWaalsContact NH1-OE2 3.16Å; R440-E499 IonicContact NH2-OE1 2.71Å; R440-E499 PolarHBondContact NH2-OE1 3.19Å; R440-E499 IonicContact NH2-OE2 3.02Å
441L88.6Confident76.6Confident28 Ų2867.7 Ų67.715%0.14737%0.37CS..EExtended strand (participates in β ladder)trans-127.4147.2-170.3-75.9168.7000110.3E68 M439 H467 R468E68-L441 HydrophobicContact CG-CD1 4.37Å; E68-L441 HydrophobicContact CG-CD2 3.87Å; M439-L441 HydrophobicContact CB-CD1 3.98Å; M439-L441 HydrophobicContact CB-CD2 4.5Å; M439-L441 HydrophobicContact CB-CG 3.87Å; M439-L441 HydrophobicContact CG-CD1 4.37Å; M439-L441 HydrophobicContact CG-CD2 3.99Å; M439-L441 HydrophobicContact CG-CG 3.83Å; M439-L441 PolarHBondContact O-N 2.9Å; M439-L441 HydrophobicContact SD-CD2 3.81Å; M439-L441 HydrophobicContact SD-CG 4.24Å; L441-H467 WeakPolarHBondContact CA-O 3.01Å; L441-R468 HydrophobicContact CD2-CB 4.34Å; L441-R468 HydrophobicContact CD2-CG 3.84Å
442G92.8Very high78.4Confident0 Ų059.3 Ų59.30%033%0.331CS..EExtended strand (participates in β ladder)trans86.4-172.6171.100000114.3T63 E64 G66 R466 H467T63-G442 WeakPolarHBondContact O-CA 3.3Å; E64-G442 WeakPolarHBondContact O-CA 3.41Å; G66-G442 VanDerWaalsContact CA-CA 3.46Å; G442-R466 CarbonylContact O-C 3.59Å; G442-R466 VanDerWaalsContact O-CA 3.32Å; G442-R466 WeakPolarHBondContact O-CA 3.34Å; G442-H467 PolarHBondContact N-O 2.86Å; G442-H467 PolarHBondContact O-N 3.09Å
443A94Very high80Confident19 Ų1952 Ų5216%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-75.9124.3-173.100000111.4E64 V464 E465 R466E64-A443 HydrophobicContact CB-CB 3.88Å; E64-A443 HydrophobicContact CG-CB 4.07Å; E64-A443 PolarHBondContact O-N 3.04Å; A443-V464 HydrophobicContact CB-CG1 3.74Å; A443-E465 CarbonylContact C-O 3.49Å; A443-E465 WeakPolarHBondContact CA-O 3.21Å; A443-R466 HydrophobicContact CB-CG 4.5Å
444Q93.5Very high81.8Confident31 Ų3150.1 Ų50.115%0.14529%0.288CS..EExtended strand (participates in β ladder)trans-133.5148.5178.1-59-165.98.400111.7R440 V464 E465R440-Q444 VanDerWaalsContact CG-NE2 3.33Å; Q444-V464 WeakPolarHBondContact O-CA 3.49Å; Q444-E465 PolarHBondContact N-O 3.36Å; Q444-E465 PolarHBondContact O-N 3.17Å; Q444-E465 VanDerWaalsContact O-N 3.07Å
445Q94.2Very high83.8Confident118 Ų11846.3 Ų46.355%0.55126%0.263SS*.EExtended strand (participates in β ladder)trans-72.8135177.4-77-177.5-11.800111.1T462 I463 V464 G493Q445-T462 HydrophobicContact CB-CG2 4.39Å; Q445-T462 HydrophobicContact CG-CG2 4.37Å; Q445-I463 WeakPolarHBondContact CA-O 3.41Å; Q445-V464 HydrophobicContact CG-CG2 3.9Å; Q445-G493 PolarHBondContact O-N 3.08Å
446C96Very high85.5Confident0 Ų047.6 Ų47.60%027%0.266CS..EExtended strand (participates in β ladder)trans-122.4127.9170.4175.20000109.9T462 I463 R491 E499C446-T462 WeakPolarHBondContact O-CA 3.35Å; C446-I463 HydrophobicContact CB-CD1 4.29Å; C446-I463 HydrophobicContact CB-CG1 3.75Å; C446-I463 PolarHBondContact N-O 3.42Å; C446-I463 PolarHBondContact O-N 3.24Å; C446-R491 CarbonylContact C-O 3.51Å; C446-R491 VanDerWaalsContact CA-O 3.24Å; C446-R491 WeakPolarHBondContact CA-O 3.35Å; C446-R491 PolarHBondContact SG-O 3.25Å; C446-R491 VanDerWaalsContact SG-O 3.34Å; C446-E499 HydrophobicContact CB-CB 4.34Å; C446-E499 HydrophobicContact CB-CG 4.14Å; C446-E499 VanDerWaalsContact SG-CB 3.51Å
447Q97.3Very high87.5Confident78 Ų7847 Ų4736%0.36425%0.25SS..EExtended strand (participates in β ladder)trans-90.5123.6174.6-62.2174.59.500108.9G490 R491 G493Q447-G490 CarbonylContact O-C 3.58Å; Q447-G490 WeakPolarHBondContact O-CA 3.44Å; Q447-R491 PolarHBondContact N-O 2.92Å; Q447-R491 PolarHBondContact O-N 3.08Å; Q447-G493 PolarHBondContact NE2-O 3Å
448L97.4Very high89.7Confident13 Ų1346 Ų467%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-92.7139.8-178.4-56.5-170000110.5V454 R455 Y458 A460 P461 I463 I500L448-V454 HydrophobicContact CD1-CG2 4.33Å; L448-V454 HydrophobicContact CD2-CG2 4.06Å; L448-R455 HydrophobicContact CB-CB 4.23Å; L448-Y458 HydrophobicContact CD1-CD2 3.83Å; L448-Y458 HydrophobicContact CD1-CG 4.14Å; L448-A460 WeakPolarHBondContact CD1-O 3.39Å; L448-P461 PolarHBondContact N-O 3.36Å; L448-I463 HydrophobicContact CD1-CD1 4.39Å; L448-I463 HydrophobicContact CD1-CG2 3.82Å; L448-I463 HydrophobicContact CD2-CD1 3.93Å; L448-I463 HydrophobicContact CD2-CG1 4.18Å; L448-I463 HydrophobicContact CG-CD1 4.49Å; L448-I463 HydrophobicContact CG-CG1 4.43Å; L448-I463 HydrophobicContact CG-CG2 4.31Å; L448-I500 HydrophobicContact CD2-CD1 3.56Å
449V95.6Very high91.5Very high60 Ų6051.6 Ų51.636%0.36426%0.261SS..PPolyproline II helixtrans-73.2132.7176.1178.20000109.1S452 R455 V488 A489V449-S452 VanDerWaalsContact O-CB 3.27Å; V449-S452 WeakPolarHBondContact O-CB 3.21Å; V449-S452 PolarHBondContact O-N 2.88Å; V449-S452 PolarHBondContact O-OG 3.39Å; V449-R455 VanDerWaalsContact O-CB 3.32Å; V449-R455 WeakPolarHBondContact O-CB 3.4Å; V449-V488 WeakPolarHBondContact CG2-O 3.42Å; V449-A489 PolarHBondContact N-O 3.44Å
450D91.6Very high92.5Very high110 Ų11052 Ų5259%0.58827%0.268SS*.THydrogen-bonded Turntrans-57.9147.8174.9-71.1-32.6000111S452 R455D450-S452 PolarHBondContact O-N 2.99Å; D450-S452 VanDerWaalsContact O-N 3.11Å; D450-R455 IonicContact OD1-NE 3.34Å
451D89Confident92.9Very high152 Ų15255.4 Ų55.481%0.81329%0.29SS*.THydrogen-bonded Turntrans59.317-176.2-49.8-39.6000115.4R487D451-R487 PolarHBondContact O-NH1 2.84Å
452S92.7Very high93.3Very high3 Ų357.2 Ų57.22%0.02130%0.303CS..  trans-81.7156.4167.466.70000112.5V449 D450 V454 R455 Q456V449-S452 VanDerWaalsContact O-CB 3.27Å; V449-S452 WeakPolarHBondContact O-CB 3.21Å; V449-S452 PolarHBondContact O-N 2.88Å; V449-S452 PolarHBondContact O-OG 3.39Å; D450-S452 PolarHBondContact O-N 2.99Å; D450-S452 VanDerWaalsContact O-N 3.11Å; S452-V454 VanDerWaalsContact C-N 3.32Å; S452-V454 WeakPolarHBondContact OG-CG2 3.42Å; S452-R455 PolarHBondContact O-N 3.39Å; S452-R455 WeakPolarHBondContact OG-CB 3.43Å; S452-R455 PolarHBondContact OG-N 3.06Å; S452-R455 VanDerWaalsContact OG-N 3.08Å; S452-Q456 PolarHBondContact O-N 3.16Å
453L89.4Confident93.5Very high45 Ų4557.9 Ų57.924%0.23631%0.306CS..Hα-helixtrans-62.6-44.2176.2173.561000109.8R455 Q456 L457 E502 W508 V510L453-R455 VanDerWaalsContact C-N 3.34Å; L453-R455 PolarHBondContact O-N 3.36Å; L453-Q456 WeakPolarHBondContact O-CB 3.25Å; L453-Q456 PolarHBondContact O-N 3.49Å; L453-Q456 VanDerWaalsContact O-N 3.14Å; L453-L457 HydrophobicContact CD1-CD1 4.37Å; L453-L457 HydrophobicContact CD1-CD2 4.48Å; L453-L457 HydrophobicContact CD1-CG 4.17Å; L453-L457 HydrophobicContact CG-CD1 4.11Å; L453-L457 HydrophobicContact CG-CG 4.32Å; L453-L457 WeakPolarHBondContact O-CG 3.37Å; L453-L457 PolarHBondContact O-N 2.84Å; L453-E502 WeakPolarHBondContact CB-OE1 3.44Å; L453-E502 PolarHBondContact N-OE1 3.11Å; L453-E502 PolarHBondContact N-OE2 2.95Å; L453-E502 VanDerWaalsContact N-OE2 3.08Å; L453-W508 HydrophobicContact CD2-CD2 4.35Å; L453-W508 HydrophobicContact CD2-CG 4.09Å; L453-V510 HydrophobicContact CD2-CG2 3.74Å; L453-V510 HydrophobicContact CG-CG2 4.41Å
454V93.7Very high93.6Very high0 Ų060.6 Ų60.60%032%0.321CS..Hα-helixtrans-63.2-36.5176.8-66.60000112.9L448 S452 Q456 L457 Y458 A489 I500 E502 V510 L528L448-V454 HydrophobicContact CD1-CG2 4.33Å; L448-V454 HydrophobicContact CD2-CG2 4.06Å; S452-V454 VanDerWaalsContact C-N 3.32Å; S452-V454 WeakPolarHBondContact OG-CG2 3.42Å; V454-Q456 PolarHBondContact O-N 3.47Å; V454-L457 PolarHBondContact O-N 3.32Å; V454-Y458 HydrophobicContact CB-CD2 4.18Å; V454-Y458 HydrophobicContact CB-CE2 4.4Å; V454-Y458 WeakPolarHBondContact O-CB 3.46Å; V454-Y458 WeakPolarHBondContact O-CD2 3.39Å; V454-Y458 PolarHBondContact O-N 2.99Å; V454-A489 HydrophobicContact CG2-CB 3.83Å; V454-I500 HydrophobicContact CB-CD1 4.32Å; V454-I500 HydrophobicContact CG1-CD1 4.33Å; V454-I500 HydrophobicContact CG1-CG2 3.82Å; V454-I500 HydrophobicContact CG2-CD1 4.02Å; V454-I500 HydrophobicContact CG2-CG2 4.21Å; V454-E502 VanDerWaalsContact CG1-OE1 3.28Å; V454-E502 WeakPolarHBondContact CG1-OE1 3.32Å; V454-E502 VanDerWaalsContact CG2-OE1 3.28Å; V454-E502 WeakPolarHBondContact CG2-OE1 3.3Å; V454-E502 PolarHBondContact N-OE1 3.34Å; V454-V510 HydrophobicContact CG1-CG1 3.54Å; V454-V510 HydrophobicContact CG1-CG2 4.29Å; V454-L528 HydrophobicContact CG1-CD2 3.65Å
455R93.6Very high93.8Very high57 Ų5759.6 Ų59.622%0.21532%0.316CS..Hα-helixtrans-61.5-36.2174.6175.662-174.688.2-4.3112L448 V449 D450 S452 L453 N459 A460L448-R455 HydrophobicContact CB-CB 4.23Å; V449-R455 VanDerWaalsContact O-CB 3.32Å; V449-R455 WeakPolarHBondContact O-CB 3.4Å; D450-R455 IonicContact OD1-NE 3.34Å; S452-R455 PolarHBondContact O-N 3.39Å; S452-R455 WeakPolarHBondContact OG-CB 3.43Å; S452-R455 PolarHBondContact OG-N 3.06Å; S452-R455 VanDerWaalsContact OG-N 3.08Å; L453-R455 VanDerWaalsContact C-N 3.34Å; L453-R455 PolarHBondContact O-N 3.36Å; R455-N459 WeakPolarHBondContact O-CA 3.28Å; R455-N459 PolarHBondContact O-N 3.46Å; R455-N459 VanDerWaalsContact O-N 3.14Å; R455-A460 WeakPolarHBondContact CD-O 3.42Å; R455-A460 VanDerWaalsContact NH1-N 3.12Å
456Q88.7Confident94Very high149 Ų14954 Ų5470%0.69629%0.29SS*.Hα-helixtrans-70.2-46.1173.2-177.4-176.3-11.300111.5S452 L453 V454 N459S452-Q456 PolarHBondContact O-N 3.16Å; L453-Q456 WeakPolarHBondContact O-CB 3.25Å; L453-Q456 PolarHBondContact O-N 3.49Å; L453-Q456 VanDerWaalsContact O-N 3.14Å; V454-Q456 PolarHBondContact O-N 3.47Å; Q456-N459 PolarHBondContact O-N 2.95Å
457L90.6Very high93.9Very high37 Ų3754 Ų5419%0.19429%0.29CS..Hα-helixtrans-63.4-50.5-178.6-68.2179.6000112.3L453 V454 N459 W508 P527 L528L453-L457 HydrophobicContact CD1-CD1 4.37Å; L453-L457 HydrophobicContact CD1-CD2 4.48Å; L453-L457 HydrophobicContact CD1-CG 4.17Å; L453-L457 HydrophobicContact CG-CD1 4.11Å; L453-L457 HydrophobicContact CG-CG 4.32Å; L453-L457 WeakPolarHBondContact O-CG 3.37Å; L453-L457 PolarHBondContact O-N 2.84Å; V454-L457 PolarHBondContact O-N 3.32Å; L457-N459 VanDerWaalsContact C-N 3.28Å; L457-N459 PolarHBondContact O-N 3.2Å; L457-W508 HydrophobicContact CD1-CZ2 3.96Å; L457-P527 HydrophobicContact CB-CB 4.41Å; L457-L528 HydrophobicContact CD1-CD2 4.08Å
458Y92.5Very high93.7Very high29 Ų2951.5 Ų51.511%0.11428%0.277CS..Hα-helixtrans-73.3-22.1179.2-79.3-81.6000113.2L448 V454 A460 I463 E465 H526 P527 L528L448-Y458 HydrophobicContact CD1-CD2 3.83Å; L448-Y458 HydrophobicContact CD1-CG 4.14Å; V454-Y458 HydrophobicContact CB-CD2 4.18Å; V454-Y458 HydrophobicContact CB-CE2 4.4Å; V454-Y458 WeakPolarHBondContact O-CB 3.46Å; V454-Y458 WeakPolarHBondContact O-CD2 3.39Å; V454-Y458 PolarHBondContact O-N 2.99Å; Y458-A460 PolarHBondContact O-N 2.88Å; Y458-A460 VanDerWaalsContact O-N 3.09Å; Y458-I463 HydrophobicContact CD1-CB 4.34Å; Y458-I463 HydrophobicContact CD1-CD1 4.29Å; Y458-I463 HydrophobicContact CD1-CG2 3.63Å; Y458-I463 HydrophobicContact CD2-CD1 4.09Å; Y458-I463 HydrophobicContact CD2-CG2 4.31Å; Y458-I463 HydrophobicContact CE1-CB 4.46Å; Y458-I463 HydrophobicContact CE1-CD1 3.88Å; Y458-I463 HydrophobicContact CE1-CG2 4.2Å; Y458-I463 HydrophobicContact CE2-CD1 3.64Å; Y458-I463 HydrophobicContact CG-CD1 4.38Å; Y458-I463 HydrophobicContact CG-CG2 3.69Å; Y458-E465 WeakPolarHBondContact CE1-OE1 3.44Å; Y458-E465 PolarHBondContact OH-OE1 2.88Å; Y458-H526 AromaticContact CE1-CE1 3.94Å; Y458-H526 AromaticContact CZ-CE1 3.81Å; Y458-H526 PolarHBondContact OH-CE1 3.36Å; Y458-P527 HydrophobicContact CD1-CB 3.88Å; Y458-P527 HydrophobicContact CD1-CG 3.69Å; Y458-P527 HydrophobicContact CE1-CB 4.16Å; Y458-P527 HydrophobicContact CE1-CG 4.02Å; Y458-P527 HydrophobicContact CG-CB 4.1Å; Y458-P527 HydrophobicContact CG-CG 4.34Å; Y458-L528 HydrophobicContact CD2-CD2 4.48Å; Y458-L528 HydrophobicContact CE2-CD1 4.12Å; Y458-L528 HydrophobicContact CE2-CD2 3.74Å; Y458-L528 HydrophobicContact CE2-CG 3.7Å; Y458-L528 WeakPolarHBondContact OH-CD1 3.43Å; Y458-L528 WeakPolarHBondContact OH-CG 3.25Å
459N91.6Very high93.3Very high132 Ų13251 Ų5171%0.70628%0.275SS*.  trans5328.1-175.3-164.630.2000114.1R455 Q456 L457R455-N459 WeakPolarHBondContact O-CA 3.28Å; R455-N459 PolarHBondContact O-N 3.46Å; R455-N459 VanDerWaalsContact O-N 3.14Å; Q456-N459 PolarHBondContact O-N 2.95Å; L457-N459 VanDerWaalsContact C-N 3.28Å; L457-N459 PolarHBondContact O-N 3.2Å
460A93.8Very high92.8Very high30 Ų3050.2 Ų50.225%0.24827%0.265CS..SBendtrans-140.5145.9176.100000110.7L448 R455 Y458 T462 I463L448-A460 WeakPolarHBondContact CD1-O 3.39Å; R455-A460 WeakPolarHBondContact CD-O 3.42Å; R455-A460 VanDerWaalsContact NH1-N 3.12Å; Y458-A460 PolarHBondContact O-N 2.88Å; Y458-A460 VanDerWaalsContact O-N 3.09Å; A460-T462 VanDerWaalsContact C-N 3.32Å; A460-I463 HydrophobicContact CB-CG2 4.48Å
461P95.2Very high92.7Very high73 Ų7346.7 Ų46.747%0.47424%0.243SC..SBendtrans-75.3-22.3176.131.2-35.2000112.9L448L448-P461 PolarHBondContact N-O 3.36Å
462T96.1Very high92.8Very high66 Ų6639.7 Ų39.741%0.40521%0.206SC..EExtended strand (participates in β ladder)trans-133.5133.3179.6-53.90000108.8Q445 C446 A460Q445-T462 HydrophobicContact CB-CG2 4.39Å; Q445-T462 HydrophobicContact CG-CG2 4.37Å; C446-T462 WeakPolarHBondContact O-CA 3.35Å; A460-T462 VanDerWaalsContact C-N 3.32Å
463I97.2Very high92.8Very high13 Ų1339.9 Ų39.97%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-124.8168.1178.567171.4000109.7Q445 C446 L448 Y458 A460 E465 I500 F514Q445-I463 WeakPolarHBondContact CA-O 3.41Å; C446-I463 HydrophobicContact CB-CD1 4.29Å; C446-I463 HydrophobicContact CB-CG1 3.75Å; C446-I463 PolarHBondContact N-O 3.42Å; C446-I463 PolarHBondContact O-N 3.24Å; L448-I463 HydrophobicContact CD1-CD1 4.39Å; L448-I463 HydrophobicContact CD1-CG2 3.82Å; L448-I463 HydrophobicContact CD2-CD1 3.93Å; L448-I463 HydrophobicContact CD2-CG1 4.18Å; L448-I463 HydrophobicContact CG-CD1 4.49Å; L448-I463 HydrophobicContact CG-CG1 4.43Å; L448-I463 HydrophobicContact CG-CG2 4.31Å; Y458-I463 HydrophobicContact CD1-CB 4.34Å; Y458-I463 HydrophobicContact CD1-CD1 4.29Å; Y458-I463 HydrophobicContact CD1-CG2 3.63Å; Y458-I463 HydrophobicContact CD2-CD1 4.09Å; Y458-I463 HydrophobicContact CD2-CG2 4.31Å; Y458-I463 HydrophobicContact CE1-CB 4.46Å; Y458-I463 HydrophobicContact CE1-CD1 3.88Å; Y458-I463 HydrophobicContact CE1-CG2 4.2Å; Y458-I463 HydrophobicContact CE2-CD1 3.64Å; Y458-I463 HydrophobicContact CG-CD1 4.38Å; Y458-I463 HydrophobicContact CG-CG2 3.69Å; A460-I463 HydrophobicContact CB-CG2 4.48Å; I463-E465 HydrophobicContact CD1-CG 3.96Å; I463-E465 HydrophobicContact CG1-CG 4.43Å; I463-I500 HydrophobicContact CD1-CD1 4.29Å; I463-F514 HydrophobicContact CD1-CE1 4.3Å; I463-F514 HydrophobicContact CD1-CZ 4.06Å
464V96.9Very high92.9Very high77 Ų7739.3 Ų39.347%0.46720%0.204SC..EExtended strand (participates in β ladder)trans-131.8121.3176.3177.90000108.6A443 Q444 Q445A443-V464 HydrophobicContact CB-CG1 3.74Å; Q444-V464 WeakPolarHBondContact O-CA 3.49Å; Q445-V464 HydrophobicContact CG-CG2 3.9Å
465E97.5Very high92.5Very high9 Ų942.8 Ų42.84%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-137.2161.1-175.7-66.7-65.1168.800111.9A443 Q444 Y458 I463 H467 F514 T519 H526A443-E465 CarbonylContact C-O 3.49Å; A443-E465 WeakPolarHBondContact CA-O 3.21Å; Q444-E465 PolarHBondContact N-O 3.36Å; Q444-E465 PolarHBondContact O-N 3.17Å; Q444-E465 VanDerWaalsContact O-N 3.07Å; Y458-E465 WeakPolarHBondContact CE1-OE1 3.44Å; Y458-E465 PolarHBondContact OH-OE1 2.88Å; I463-E465 HydrophobicContact CD1-CG 3.96Å; I463-E465 HydrophobicContact CG1-CG 4.43Å; E465-H467 PolarHBondContact O-CD2 3.25Å; E465-F514 HydrophobicContact CB-CB 3.61Å; E465-F514 HydrophobicContact CB-CD1 3.77Å; E465-F514 HydrophobicContact CB-CD2 3.43Å; E465-F514 VanDerWaalsContact CB-CD2 3.43Å; E465-F514 HydrophobicContact CB-CE1 4.27Å; E465-F514 HydrophobicContact CB-CE2 4Å; E465-F514 HydrophobicContact CB-CG 3.32Å; E465-F514 HydrophobicContact CB-CZ 4.38Å; E465-F514 HydrophobicContact CG-CD1 4.18Å; E465-F514 HydrophobicContact CG-CD2 3.57Å; E465-F514 HydrophobicContact CG-CE1 4.17Å; E465-F514 HydrophobicContact CG-CE2 3.59Å; E465-F514 HydrophobicContact CG-CG 3.9Å; E465-F514 HydrophobicContact CG-CZ 3.9Å; E465-T519 WeakPolarHBondContact OE2-CG2 3.39Å; E465-T519 PolarHBondContact OE2-OG1 2.85Å; E465-H526 IonicContact OE1-CE1 3.79Å; E465-H526 IonicContact OE1-NE2 2.97Å; E465-H526 PolarHBondContact OE1-NE2 3.2Å; E465-H526 VanDerWaalsContact OE1-NE2 3.14Å; E465-H526 IonicContact OE2-NE2 3.37Å
466R96.9Very high92.2Very high1 Ų148.3 Ų48.30%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-97.3130.8-171.2-59.8-173.8-171.4160.34112.8V62 E64 E77 G442 A443 F514 H515 F518 T519V62-R466 WeakPolarHBondContact O-CD 3.21Å; V62-R466 PolarHBondContact O-NH1 2.83Å; E64-R466 IonicContact OE1-NH2 3.39Å; E77-R466 VanDerWaalsContact CD-NH2 3.33Å; E77-R466 IonicContact OE1-CZ 2.74Å; E77-R466 IonicContact OE1-NH1 3.79Å; E77-R466 IonicContact OE1-NH2 3.8Å; E77-R466 PolarHBondContact OE1-NH2 3.48Å; E77-R466 VanDerWaalsContact OE1-NH2 3.14Å; E77-R466 IonicContact OE2-CZ 2.74Å; E77-R466 IonicContact OE2-NH1 3.41Å; E77-R466 PolarHBondContact OE2-NH1 3.32Å; E77-R466 IonicContact OE2-NH2 3.87Å; E77-R466 PolarHBondContact OE2-NH2 3.13Å; G442-R466 CarbonylContact O-C 3.59Å; G442-R466 VanDerWaalsContact O-CA 3.32Å; G442-R466 WeakPolarHBondContact O-CA 3.34Å; A443-R466 HydrophobicContact CB-CG 4.5Å; R466-F514 CarbonylContact O-C 3.57Å; R466-F514 WeakPolarHBondContact O-CA 3.35Å; R466-F514 WeakPolarHBondContact O-CB 3.24Å; R466-H515 PolarHBondContact O-N 3.07Å; R466-F518 HydrophobicContact CB-CD2 4.23Å; R466-F518 PolarHBondContact NH1-O 3.4Å; R466-T519 HydrophobicContact CG-CG2 4.36Å
467H94.5Very high92.1Very high0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-103.2149.6-177.5-69.6-94.2000112.8R440 L441 G442 E465 H469 E499R440-H467 HydrophobicContact CG-CB 4.13Å; R440-H467 PolarHBondContact NH2-CE1 3.44Å; R440-H467 PolarHBondContact NH2-NE2 3.3Å; R440-H467 CarbonylContact O-C 3.36Å; R440-H467 WeakPolarHBondContact O-CB 3.41Å; L441-H467 WeakPolarHBondContact CA-O 3.01Å; G442-H467 PolarHBondContact N-O 2.86Å; G442-H467 PolarHBondContact O-N 3.09Å; E465-H467 PolarHBondContact O-CD2 3.25Å; H467-H469 AromaticContact CE1-NE2 3.98Å; H467-H469 AromaticContact CG-NE2 3.78Å; H467-H469 AromaticContact ND1-CD2 3.66Å; H467-H469 AromaticContact ND1-NE2 2.95Å; H467-H469 PolarHBondContact ND1-NE2 2.77Å; H467-E499 IonicContact CE1-OE2 2.67Å; H467-E499 PolarHBondContact CE1-OE2 3.29Å; H467-E499 IonicContact ND1-OE2 3.67Å; H467-E499 IonicContact NE2-OE2 3.35Å
468R92.8Very high92.1Very high25 Ų2541.2 Ų41.29%0.09422%0.22CC..EExtended strand (participates in β ladder)trans-152.367.9168.4-163.1-179.9177.5-120.5-7.6112.1G50 V62 E68 F353 M439 R440 L441G50-R468 PolarHBondContact O-NH2 3.45Å; V62-R468 HydrophobicContact CG2-CB 3.98Å; V62-R468 HydrophobicContact CG2-CG 4.01Å; E68-R468 IonicContact OE1-CZ 3.66Å; E68-R468 IonicContact OE1-NE 2.74Å; E68-R468 PolarHBondContact OE1-NE 3.39Å; E68-R468 IonicContact OE1-NH2 2.83Å; E68-R468 PolarHBondContact OE1-NH2 2.95Å; F353-R468 VanDerWaalsContact CE2-NH1 3.29Å; M439-R468 HydrophobicContact SD-CG 3.61Å; R440-R468 WeakPolarHBondContact O-CA 3.3Å; R440-R468 PolarHBondContact O-N 3.25Å; L441-R468 HydrophobicContact CD2-CB 4.34Å; L441-R468 HydrophobicContact CD2-CG 3.84Å
469H90.3Very high92Very high4 Ų445.8 Ų45.82%0.01924%0.24CC..EExtended strand (participates in β ladder)trans-152.3170.4-17964.4107.7000112.9M439 R440 H467 Y471 E472 Q513M439-H469 WeakPolarHBondContact CG-O 3.24Å; R440-H469 WeakPolarHBondContact CB-O 3.05Å; R440-H469 PolarHBondContact N-O 2.79Å; R440-H469 PolarHBondContact O-N 3.4Å; H467-H469 AromaticContact CE1-NE2 3.98Å; H467-H469 AromaticContact CG-NE2 3.78Å; H467-H469 AromaticContact ND1-CD2 3.66Å; H467-H469 AromaticContact ND1-NE2 2.95Å; H467-H469 PolarHBondContact ND1-NE2 2.77Å; H469-Y471 PolarHBondContact ND1-O 2.77Å; H469-E472 IonicContact CE1-OE1 2.95Å; H469-E472 PolarHBondContact CE1-OE1 3.44Å; H469-E472 IonicContact CE1-OE2 3.22Å; H469-E472 PolarHBondContact CE1-OE2 3.41Å; H469-E472 VanDerWaalsContact CE1-OE2 3.22Å; H469-E472 IonicContact ND1-OE1 3.51Å; H469-E472 IonicContact ND1-OE2 3.76Å; H469-E472 IonicContact NE2-OE1 2.61Å; H469-Q513 WeakPolarHBondContact CE1-CG 3.37Å; H469-Q513 PolarHBondContact ND1-NE2 3.11Å; H469-Q513 WeakPolarHBondContact NE2-CG 3.36Å
470R85.2Confident92Very high43 Ų4344.1 Ų44.116%0.16223%0.228CC..SBendtrans-126.1-24.9178-67.8-178.2-63.6155.70.9113.7L415 M439L415-R470 HydrophobicContact CD1-CB 4.14Å; M439-R470 HydrophobicContact CB-CG 4.09Å; M439-R470 HydrophobicContact CE-CG 4.32Å; M439-R470 HydrophobicContact CG-CG 4.08Å
471Y89.4Confident92.1Very high35 Ų3542.7 Ų42.714%0.13722%0.217CC..EExtended strand (participates in β ladder)trans-96.2138.9-179-64.4-90000109.4E403 L415 H469 Q513E403-Y471 VanDerWaalsContact CA-CZ 3.48Å; E403-Y471 WeakPolarHBondContact CA-OH 3.22Å; E403-Y471 HydrophobicContact CB-CD1 3.91Å; E403-Y471 HydrophobicContact CB-CD2 3.82Å; E403-Y471 HydrophobicContact CB-CE1 3.58Å; E403-Y471 HydrophobicContact CB-CE2 3.48Å; E403-Y471 VanDerWaalsContact CB-CE2 3.48Å; E403-Y471 HydrophobicContact CB-CG 4.03Å; E403-Y471 VanDerWaalsContact CD-CE2 3.49Å; E403-Y471 HydrophobicContact CG-CD2 3.97Å; E403-Y471 HydrophobicContact CG-CE1 4.34Å; E403-Y471 HydrophobicContact CG-CE2 3.37Å; E403-Y471 WeakPolarHBondContact OE2-CD2 3.38Å; E403-Y471 WeakPolarHBondContact OE2-CE2 3.36Å; L415-Y471 HydrophobicContact CB-CD1 4.23Å; L415-Y471 HydrophobicContact CB-CE1 4.11Å; L415-Y471 HydrophobicContact CD1-CD1 4.11Å; L415-Y471 HydrophobicContact CD1-CE1 3.69Å; L415-Y471 HydrophobicContact CD1-CE2 4.15Å; H469-Y471 PolarHBondContact ND1-O 2.77Å; Y471-Q513 PolarHBondContact O-NE2 3.42Å; Y471-Q513 VanDerWaalsContact O-NE2 3.09Å
472E91.1Very high92.2Very high5 Ų541.7 Ų41.72%0.02321%0.206CC..EExtended strand (participates in β ladder)trans-129.8161.6-170.7-61.7-72.3-175.300109.5V413 A414 I416 R440 H469 N474 L497V413-E472 CarbonylContact C-O 3.52Å; V413-E472 WeakPolarHBondContact CA-O 3.21Å; A414-E472 PolarHBondContact N-O 3.18Å; A414-E472 PolarHBondContact O-N 2.82Å; I416-E472 HydrophobicContact CB-CG 4.45Å; I416-E472 HydrophobicContact CD1-CB 3.59Å; I416-E472 HydrophobicContact CD1-CG 3.76Å; I416-E472 HydrophobicContact CG1-CB 3.86Å; I416-E472 HydrophobicContact CG1-CG 4.09Å; R440-E472 VanDerWaalsContact CD-OE1 3.29Å; R440-E472 WeakPolarHBondContact CD-OE1 3.29Å; R440-E472 IonicContact NH1-OE1 3.71Å; R440-E472 IonicContact NH1-OE2 2.71Å; H469-E472 IonicContact CE1-OE1 2.95Å; H469-E472 PolarHBondContact CE1-OE1 3.44Å; H469-E472 IonicContact CE1-OE2 3.22Å; H469-E472 PolarHBondContact CE1-OE2 3.41Å; H469-E472 VanDerWaalsContact CE1-OE2 3.22Å; H469-E472 IonicContact ND1-OE1 3.51Å; H469-E472 IonicContact ND1-OE2 3.76Å; H469-E472 IonicContact NE2-OE1 2.61Å; E472-N474 PolarHBondContact O-N 2.94Å; E472-L497 HydrophobicContact CG-CD2 4.49Å
473V92.6Very high92.1Very high7 Ų743.8 Ų43.84%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-65.2131.2174.7177.60000109.9M382 L386 N475 L478 V498M382-V473 HydrophobicContact CE-CG2 3.76Å; L386-V473 HydrophobicContact CD2-CB 4.25Å; L386-V473 HydrophobicContact CD2-CG1 3.75Å; L386-V473 HydrophobicContact CD2-CG2 3.73Å; V473-N475 PolarHBondContact O-N 2.85Å; V473-N475 VanDerWaalsContact O-N 3.13Å; V473-L478 HydrophobicContact CG1-CD1 3.94Å; V473-V498 HydrophobicContact CB-CB 3.86Å; V473-V498 HydrophobicContact CB-CG2 4.01Å; V473-V498 HydrophobicContact CG1-CB 4.26Å; V473-V498 HydrophobicContact CG1-CG2 3.96Å; V473-V498 HydrophobicContact CG2-CB 3.8Å; V473-V498 HydrophobicContact CG2-CG1 4.17Å; V473-V498 HydrophobicContact CG2-CG2 4.43Å
474N90.1Very high92Very high33 Ų3344.8 Ų44.818%0.17622%0.224CC..  trans-79.299.1176.6-175.1-7.1000110.5P411 V412 A414 E472 M476 L477 L478P411-N474 WeakPolarHBondContact O-CB 3.42Å; P411-N474 PolarHBondContact O-ND2 2.95Å; V412-N474 PolarHBondContact O-N 3.45Å; A414-N474 HydrophobicContact CB-CB 4.49Å; E472-N474 PolarHBondContact O-N 2.94Å; N474-M476 PolarHBondContact O-N 3.42Å; N474-M476 VanDerWaalsContact OD1-CB 3.3Å; N474-M476 WeakPolarHBondContact OD1-CB 3.38Å; N474-M476 PolarHBondContact OD1-N 3.45Å; N474-L477 PolarHBondContact O-N 2.63Å; N474-L478 PolarHBondContact O-N 2.74Å
475N86.9Confident91.9Very high74 Ų7442.7 Ų42.740%0.39622%0.218SC..Hα-helixtrans-55.1-23.4179.5-69.9-18.2000114.2V473 L477 L478 Q496V473-N475 PolarHBondContact O-N 2.85Å; V473-N475 VanDerWaalsContact O-N 3.13Å; N475-L477 VanDerWaalsContact C-N 3.26Å; N475-L477 PolarHBondContact O-N 3.29Å; N475-L478 PolarHBondContact O-N 2.99Å; N475-Q496 PolarHBondContact ND2-O 2.83Å
476M85.8Confident91.8Very high173 Ų17342.5 Ų42.585%0.85222%0.218SC*.Hα-helixtrans-65.5-29.2177-62.2-175.165.100113N474N474-M476 PolarHBondContact O-N 3.42Å; N474-M476 VanDerWaalsContact OD1-CB 3.3Å; N474-M476 WeakPolarHBondContact OD1-CB 3.38Å; N474-M476 PolarHBondContact OD1-N 3.45Å
477L87.8Confident91.8Very high29 Ų2946.6 Ų46.615%0.15223%0.233CC..Hα-helixtrans-102.1-14.4-179.1-64.4172.7000112.4M396 Y410 V412 N474 N475 K479 Q480 I481M396-L477 HydrophobicContact CE-CB 4.34Å; Y410-L477 HydrophobicContact CD1-CD2 4.31Å; V412-L477 HydrophobicContact CG1-CB 4.37Å; V412-L477 HydrophobicContact CG1-CD1 3.88Å; N474-L477 PolarHBondContact O-N 2.63Å; N475-L477 VanDerWaalsContact C-N 3.26Å; N475-L477 PolarHBondContact O-N 3.29Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.49Å; L477-Q480 PolarHBondContact O-N 2.84Å; L477-I481 PolarHBondContact O-N 2.91Å
478L90.4Very high92Very high8 Ų846.9 Ų46.94%0.04224%0.235CC..Hα-helixtrans-55.3-45.6-172.7-177.359.9000112.9V473 N474 N475 Q480 I481 E482 V488 V498V473-L478 HydrophobicContact CG1-CD1 3.94Å; N474-L478 PolarHBondContact O-N 2.74Å; N475-L478 PolarHBondContact O-N 2.99Å; L478-Q480 VanDerWaalsContact C-N 3.27Å; L478-Q480 PolarHBondContact O-N 3.23Å; L478-I481 WeakPolarHBondContact O-CA 3.43Å; L478-I481 WeakPolarHBondContact O-CB 3.45Å; L478-I481 PolarHBondContact O-N 3Å; L478-E482 HydrophobicContact CD1-CG 4.29Å; L478-E482 HydrophobicContact CG-CG 4.29Å; L478-E482 PolarHBondContact O-N 2.9Å; L478-V488 HydrophobicContact CD1-CG2 3.8Å; L478-V488 HydrophobicContact CD2-CG2 4.11Å; L478-V488 HydrophobicContact CG-CG2 4.28Å; L478-V498 HydrophobicContact CD1-CG2 4.24Å; L478-V498 HydrophobicContact CD2-CG2 3.47Å; L478-V498 VanDerWaalsContact CD2-CG2 3.47Å; L478-V498 HydrophobicContact CG-CG2 4.49Å
479K90.7Very high92.2Very high124 Ų12445.7 Ų45.754%0.53923%0.23SC..Hα-helixtrans-58.1-39.6-177.3-175.255177.71500112.6L477 I481 E482 D483L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.49Å; K479-I481 VanDerWaalsContact C-N 3.31Å; K479-I481 PolarHBondContact O-N 3.38Å; K479-E482 PolarHBondContact O-N 2.73Å; K479-D483 VanDerWaalsContact CE-OD1 3.26Å; K479-D483 WeakPolarHBondContact CE-OD1 3.36Å; K479-D483 IonicContact NZ-OD1 2.71Å; K479-D483 PolarHBondContact NZ-OD1 2.8Å; K479-D483 WeakPolarHBondContact O-CB 3.46Å; K479-D483 PolarHBondContact O-N 2.74Å
480Q91.9Very high92.5Very high97 Ų9745.5 Ų45.545%0.45323%0.23SC..Hα-helixtrans-70.1-29179-173.9-177.5-26.100112.1M396 L477 L478 A484M396-Q480 HydrophobicContact CE-CB 3.5Å; M396-Q480 HydrophobicContact CE-CG 3.5Å; M396-Q480 VanDerWaalsContact CE-CG 3.5Å; L477-Q480 PolarHBondContact O-N 2.84Å; L478-Q480 VanDerWaalsContact C-N 3.27Å; L478-Q480 PolarHBondContact O-N 3.23Å; Q480-A484 PolarHBondContact O-N 3.17Å
481I95.4Very high93Very high1 Ų146.9 Ų46.91%0.00524%0.235CC..Hα-helixtrans-76.4-39.9174.3-53.3172.6000110.3L386 Y389 A390 M396 V412 L477 L478 K479 A484 L486L386-I481 HydrophobicContact CD1-CD1 3.81Å; L386-I481 HydrophobicContact CD1-CG2 4.01Å; L386-I481 HydrophobicContact CG-CD1 4.28Å; Y389-I481 HydrophobicContact CD1-CG2 3.86Å; A390-I481 HydrophobicContact CB-CD1 4.04Å; A390-I481 HydrophobicContact CB-CG1 4.31Å; M396-I481 HydrophobicContact CE-CG1 3.75Å; M396-I481 HydrophobicContact SD-CD1 4.37Å; M396-I481 HydrophobicContact SD-CG1 4.02Å; V412-I481 HydrophobicContact CB-CD1 4.15Å; V412-I481 HydrophobicContact CG1-CD1 3.84Å; L477-I481 PolarHBondContact O-N 2.91Å; L478-I481 WeakPolarHBondContact O-CA 3.43Å; L478-I481 WeakPolarHBondContact O-CB 3.45Å; L478-I481 PolarHBondContact O-N 3Å; K479-I481 VanDerWaalsContact C-N 3.31Å; K479-I481 PolarHBondContact O-N 3.38Å; I481-A484 WeakPolarHBondContact O-CB 3.34Å; I481-A484 PolarHBondContact O-N 2.82Å; I481-L486 HydrophobicContact CG2-CB 3.98Å; I481-L486 HydrophobicContact CG2-CD2 3.64Å; I481-L486 HydrophobicContact CG2-CG 4.47Å; I481-L486 PolarHBondContact O-N 2.95Å
482E96.1Very high93.1Very high51 Ų5145.4 Ų45.424%0.23823%0.229CC..Hα-helixtrans-63.6-43175.1-70.6-172.3120.400112.2L478 K479 A484 G485 L486 V488L478-E482 HydrophobicContact CD1-CG 4.29Å; L478-E482 HydrophobicContact CG-CG 4.29Å; L478-E482 PolarHBondContact O-N 2.9Å; K479-E482 PolarHBondContact O-N 2.73Å; E482-A484 PolarHBondContact O-N 2.75Å; E482-G485 WeakPolarHBondContact O-CA 3.37Å; E482-G485 PolarHBondContact O-N 2.87Å; E482-L486 VanDerWaalsContact CA-O 3.27Å; E482-L486 WeakPolarHBondContact CA-O 3.28Å; E482-V488 HydrophobicContact CG-CG2 4.23Å; E482-V488 WeakPolarHBondContact OE1-CG2 3.18Å
483D95Very high92.7Very high111 Ų11146.8 Ų46.859%0.59425%0.246SC*.THydrogen-bonded Turntrans-64.2-20.9177-68.4-18.2000112.3K479 G485K479-D483 VanDerWaalsContact CE-OD1 3.26Å; K479-D483 WeakPolarHBondContact CE-OD1 3.36Å; K479-D483 IonicContact NZ-OD1 2.71Å; K479-D483 PolarHBondContact NZ-OD1 2.8Å; K479-D483 WeakPolarHBondContact O-CB 3.46Å; K479-D483 PolarHBondContact O-N 2.74Å; D483-G485 VanDerWaalsContact C-N 3.3Å
484A95.2Very high92.3Very high33 Ų3350.8 Ų50.827%0.27327%0.266SS..THydrogen-bonded Turntrans-80.4-9.5172.100000113.3Y389 V393 A394 Q480 I481 E482Y389-A484 HydrophobicContact CE1-CB 4.09Å; Y389-A484 PolarHBondContact OH-O 2.81Å; V393-A484 HydrophobicContact CG1-CB 4.23Å; A394-A484 HydrophobicContact CB-CB 3.72Å; Q480-A484 PolarHBondContact O-N 3.17Å; I481-A484 WeakPolarHBondContact O-CB 3.34Å; I481-A484 PolarHBondContact O-N 2.82Å; E482-A484 PolarHBondContact O-N 2.75Å
485G94.1Very high91.9Very high33 Ų3352.9 Ų52.934%0.3428%0.278SS..THydrogen-bonded Turntrans119.5-5.2171.200000115.6Y389 E482 D483 P504Y389-G485 WeakPolarHBondContact OH-CA 3.42Å; E482-G485 WeakPolarHBondContact O-CA 3.37Å; E482-G485 PolarHBondContact O-N 2.87Å; D483-G485 VanDerWaalsContact C-N 3.3Å; G485-P504 WeakPolarHBondContact O-CD 3.47Å
486L96.4Very high91.7Very high6 Ų654.8 Ų54.83%0.03128%0.284CS..  trans-68.5141.6172.6-170.974.7000109.1L386 Y389 I481 E482 I501 E502 V503L386-L486 HydrophobicContact CD1-CD2 3.5Å; Y389-L486 HydrophobicContact CD1-CB 3.8Å; Y389-L486 HydrophobicContact CD2-CD1 3.94Å; Y389-L486 HydrophobicContact CE1-CB 3.68Å; Y389-L486 HydrophobicContact CE2-CB 4.42Å; Y389-L486 HydrophobicContact CE2-CD1 4.22Å; Y389-L486 HydrophobicContact CG-CB 4.22Å; Y389-L486 HydrophobicContact CG-CD1 4.1Å; Y389-L486 PolarHBondContact OH-N 3.46Å; I481-L486 HydrophobicContact CG2-CB 3.98Å; I481-L486 HydrophobicContact CG2-CD2 3.64Å; I481-L486 HydrophobicContact CG2-CG 4.47Å; I481-L486 PolarHBondContact O-N 2.95Å; E482-L486 VanDerWaalsContact CA-O 3.27Å; E482-L486 WeakPolarHBondContact CA-O 3.28Å; L486-I501 HydrophobicContact CD1-CB 4.31Å; L486-I501 HydrophobicContact CD1-CD1 4.43Å; L486-I501 HydrophobicContact CD2-CB 4.22Å; L486-I501 HydrophobicContact CD2-CD1 4.2Å; L486-I501 HydrophobicContact CD2-CG2 4.07Å; L486-I501 HydrophobicContact CG-CB 4.35Å; L486-E502 WeakPolarHBondContact CD1-O 3.2Å; L486-V503 HydrophobicContact CD1-CG2 3.85Å
487R96.5Very high91.9Very high87 Ų8747.4 Ų47.433%0.32825%0.248SC..EExtended strand (participates in β ladder)trans-107.4132.6174.1174.9-172.3-76.3-175.6-12.1109.6D451 I501 E502 P504D451-R487 PolarHBondContact O-NH1 2.84Å; R487-I501 CarbonylContact O-C 3.48Å; R487-I501 VanDerWaalsContact O-CA 3.31Å; R487-I501 WeakPolarHBondContact O-CA 3.21Å; R487-E502 PolarHBondContact N-O 2.82Å; R487-E502 PolarHBondContact O-N 3.09Å; R487-P504 HydrophobicContact CB-CG 3.85Å
488V97.4Very high92.3Very high6 Ų646.1 Ų46.14%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-77.4117158.4174.30000108.3V449 L478 E482 R491 V498V449-V488 WeakPolarHBondContact CG2-O 3.42Å; L478-V488 HydrophobicContact CD1-CG2 3.8Å; L478-V488 HydrophobicContact CD2-CG2 4.11Å; L478-V488 HydrophobicContact CG-CG2 4.28Å; E482-V488 HydrophobicContact CG-CG2 4.23Å; E482-V488 WeakPolarHBondContact OE1-CG2 3.18Å; V488-R491 HydrophobicContact CG1-CG 3.73Å; V488-V498 HydrophobicContact CG1-CG1 3.94Å; V488-V498 HydrophobicContact CG1-CG2 4.38Å; V488-V498 HydrophobicContact CG2-CG1 4.01Å; V488-V498 HydrophobicContact CG2-CG2 4.16Å
489A97.2Very high92.6Very high0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-103.7-14.8-17500000113.3V449 V454 I500 E502V449-A489 PolarHBondContact N-O 3.44Å; V454-A489 HydrophobicContact CG2-CB 3.83Å; A489-I500 HydrophobicContact CB-CB 4.33Å; A489-I500 HydrophobicContact CB-CG2 4.07Å; A489-I500 PolarHBondContact N-O 2.84Å; A489-E502 HydrophobicContact CB-CB 4.28Å; A489-E502 HydrophobicContact CB-CG 3.52Å; A489-E502 WeakPolarHBondContact CB-OE1 3.28Å
490G96.9Very high93Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-156.2147.1176.100000112.2Q447 E499 I500Q447-G490 CarbonylContact O-C 3.58Å; Q447-G490 WeakPolarHBondContact O-CA 3.44Å; G490-E499 PolarHBondContact O-N 3.41Å; G490-I500 PolarHBondContact N-O 3.4Å; G490-I500 PolarHBondContact O-N 3.08Å; G490-I500 VanDerWaalsContact O-N 3.15Å
491R96.2Very high93.3Very high71 Ų7135.2 Ų35.227%0.26819%0.192SC..EExtended strand (participates in β ladder)trans-133.8162.6-180-69.7179.5175.6-174.30.1111.8C446 Q447 V488 D495 L497C446-R491 CarbonylContact C-O 3.51Å; C446-R491 VanDerWaalsContact CA-O 3.24Å; C446-R491 WeakPolarHBondContact CA-O 3.35Å; C446-R491 PolarHBondContact SG-O 3.25Å; C446-R491 VanDerWaalsContact SG-O 3.34Å; Q447-R491 PolarHBondContact N-O 2.92Å; Q447-R491 PolarHBondContact O-N 3.08Å; V488-R491 HydrophobicContact CG1-CG 3.73Å; R491-D495 WeakPolarHBondContact CD-OD1 3.19Å; R491-D495 IonicContact CZ-OD1 3.93Å; R491-D495 IonicContact NE-OD1 2.82Å; R491-D495 IonicContact NH1-OD1 3.96Å; R491-D495 PolarHBondContact NH1-OD1 3.47Å; R491-D495 IonicContact NH1-OD2 3.07Å; R491-D495 PolarHBondContact NH1-OD2 3.28Å; R491-L497 CarbonylContact C-O 3.59Å; R491-L497 WeakPolarHBondContact CA-O 3.29Å; R491-L497 WeakPolarHBondContact CB-O 3.47Å
492S92.4Very high93.3Very high4 Ų435.5 Ų35.53%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-61.3163.9177.451.70000111.8D494 D495 Q496 L497 E499S492-D494 VanDerWaalsContact CB-OD1 3.31Å; S492-D494 WeakPolarHBondContact CB-OD1 3.46Å; S492-D494 PolarHBondContact O-N 2.88Å; S492-D494 PolarHBondContact OG-OD1 3.48Å; S492-D495 WeakPolarHBondContact O-CA 3.48Å; S492-D495 PolarHBondContact O-N 3.3Å; S492-Q496 PolarHBondContact OG-N 2.79Å; S492-L497 PolarHBondContact N-O 2.84Å; S492-L497 WeakPolarHBondContact OG-CB 3.39Å; S492-L497 PolarHBondContact OG-N 2.84Å; S492-E499 WeakPolarHBondContact CA-OE1 3.39Å; S492-E499 VanDerWaalsContact CB-OE1 3.27Å; S492-E499 WeakPolarHBondContact CB-OE1 3.43Å
493G82.4Confident93.3Very high35 Ų3533.7 Ų33.736%0.36119%0.186SC..THydrogen-bonded Turntrans-57-21.1178.200000115.7Q445 Q447Q445-G493 PolarHBondContact O-N 3.08Å; Q447-G493 PolarHBondContact NE2-O 3Å
494D84.1Confident92.9Very high90 Ų9031.5 Ų31.548%0.48118%0.178SC..THydrogen-bonded Turntrans-97.77.5174.266-12.4000113.8S492 Q496S492-D494 VanDerWaalsContact CB-OD1 3.31Å; S492-D494 WeakPolarHBondContact CB-OD1 3.46Å; S492-D494 PolarHBondContact O-N 2.88Å; S492-D494 PolarHBondContact OG-OD1 3.48Å; D494-Q496 HydrophobicContact CB-CG 4.31Å; D494-Q496 PolarHBondContact O-N 3.41Å; D494-Q496 VanDerWaalsContact O-N 3.14Å; D494-Q496 PolarHBondContact OD1-N 3.44Å; D494-Q496 WeakPolarHBondContact OD2-CG 3.47Å
495D80.4Confident92.4Very high78 Ų7837.4 Ų37.442%0.41721%0.205SC..SBendtrans59.916-178.7-165.837.8000114R491 S492R491-D495 WeakPolarHBondContact CD-OD1 3.19Å; R491-D495 IonicContact CZ-OD1 3.93Å; R491-D495 IonicContact NE-OD1 2.82Å; R491-D495 IonicContact NH1-OD1 3.96Å; R491-D495 PolarHBondContact NH1-OD1 3.47Å; R491-D495 IonicContact NH1-OD2 3.07Å; R491-D495 PolarHBondContact NH1-OD2 3.28Å; S492-D495 WeakPolarHBondContact O-CA 3.48Å; S492-D495 PolarHBondContact O-N 3.3Å
496Q82.6Confident92.1Very high114 Ų11436.7 Ų36.753%0.53319%0.192SC..  trans-92.1-36.9-176.4-65.3-56.8-5900113.8N475 S492 D494N475-Q496 PolarHBondContact ND2-O 2.83Å; S492-Q496 PolarHBondContact OG-N 2.79Å; D494-Q496 HydrophobicContact CB-CG 4.31Å; D494-Q496 PolarHBondContact O-N 3.41Å; D494-Q496 VanDerWaalsContact O-N 3.14Å; D494-Q496 PolarHBondContact OD1-N 3.44Å; D494-Q496 WeakPolarHBondContact OD2-CG 3.47Å
497L91.1Very high91.3Very high18 Ų1839.1 Ų39.19%0.09421%0.209CC..SBendtrans-107.3141.3-171.8-53.2177.9000110.3I416 E472 R491 S492I416-L497 HydrophobicContact CD1-CD2 3.17Å; E472-L497 HydrophobicContact CG-CD2 4.49Å; R491-L497 CarbonylContact C-O 3.59Å; R491-L497 WeakPolarHBondContact CA-O 3.29Å; R491-L497 WeakPolarHBondContact CB-O 3.47Å; S492-L497 PolarHBondContact N-O 2.84Å; S492-L497 WeakPolarHBondContact OG-CB 3.39Å; S492-L497 PolarHBondContact OG-N 2.84Å
498V95.6Very high90.9Very high1 Ų135.5 Ų35.51%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-81.4123.4173.8-179.30000108.7M382 V473 L478 V488 I501M382-V498 HydrophobicContact CE-CB 4.32Å; M382-V498 HydrophobicContact CE-CG1 3.63Å; V473-V498 HydrophobicContact CB-CB 3.86Å; V473-V498 HydrophobicContact CB-CG2 4.01Å; V473-V498 HydrophobicContact CG1-CB 4.26Å; V473-V498 HydrophobicContact CG1-CG2 3.96Å; V473-V498 HydrophobicContact CG2-CB 3.8Å; V473-V498 HydrophobicContact CG2-CG1 4.17Å; V473-V498 HydrophobicContact CG2-CG2 4.43Å; L478-V498 HydrophobicContact CD1-CG2 4.24Å; L478-V498 HydrophobicContact CD2-CG2 3.47Å; L478-V498 VanDerWaalsContact CD2-CG2 3.47Å; L478-V498 HydrophobicContact CG-CG2 4.49Å; V488-V498 HydrophobicContact CG1-CG1 3.94Å; V488-V498 HydrophobicContact CG1-CG2 4.38Å; V488-V498 HydrophobicContact CG2-CG1 4.01Å; V488-V498 HydrophobicContact CG2-CG2 4.16Å; V498-I501 HydrophobicContact CG1-CG2 3.78Å
499E97.1Very high90.8Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-107.4-31.7-178.7-55.8-60.2174.200113.1R440 C446 H467 G490 S492 C512 Q513 F514R440-E499 IonicContact CZ-OE1 3.19Å; R440-E499 IonicContact CZ-OE2 3.49Å; R440-E499 IonicContact NH1-OE1 2.76Å; R440-E499 PolarHBondContact NH1-OE1 3.06Å; R440-E499 IonicContact NH1-OE2 2.93Å; R440-E499 PolarHBondContact NH1-OE2 2.98Å; R440-E499 VanDerWaalsContact NH1-OE2 3.16Å; R440-E499 IonicContact NH2-OE1 2.71Å; R440-E499 PolarHBondContact NH2-OE1 3.19Å; R440-E499 IonicContact NH2-OE2 3.02Å; C446-E499 HydrophobicContact CB-CB 4.34Å; C446-E499 HydrophobicContact CB-CG 4.14Å; C446-E499 VanDerWaalsContact SG-CB 3.51Å; H467-E499 IonicContact CE1-OE2 2.67Å; H467-E499 PolarHBondContact CE1-OE2 3.29Å; H467-E499 IonicContact ND1-OE2 3.67Å; H467-E499 IonicContact NE2-OE2 3.35Å; G490-E499 PolarHBondContact O-N 3.41Å; S492-E499 WeakPolarHBondContact CA-OE1 3.39Å; S492-E499 VanDerWaalsContact CB-OE1 3.27Å; S492-E499 WeakPolarHBondContact CB-OE1 3.43Å; E499-C512 CarbonylContact O-C 3.53Å; E499-C512 VanDerWaalsContact O-CA 3.23Å; E499-C512 WeakPolarHBondContact O-CA 3.5Å; E499-Q513 PolarHBondContact O-N 2.88Å; E499-F514 HydrophobicContact CB-CD1 4.46Å; E499-F514 HydrophobicContact CB-CE1 4.36Å
500I98.2Very high90.8Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-140.2134.1-176.3-48.1178.5000109.2L448 V454 I463 A489 G490 V510 A511 C512 F514L448-I500 HydrophobicContact CD2-CD1 3.56Å; V454-I500 HydrophobicContact CB-CD1 4.32Å; V454-I500 HydrophobicContact CG1-CD1 4.33Å; V454-I500 HydrophobicContact CG1-CG2 3.82Å; V454-I500 HydrophobicContact CG2-CD1 4.02Å; V454-I500 HydrophobicContact CG2-CG2 4.21Å; I463-I500 HydrophobicContact CD1-CD1 4.29Å; A489-I500 HydrophobicContact CB-CB 4.33Å; A489-I500 HydrophobicContact CB-CG2 4.07Å; A489-I500 PolarHBondContact N-O 2.84Å; G490-I500 PolarHBondContact N-O 3.4Å; G490-I500 PolarHBondContact O-N 3.08Å; G490-I500 VanDerWaalsContact O-N 3.15Å; I500-V510 HydrophobicContact CG2-CG1 3.91Å; I500-A511 CarbonylContact C-O 3.57Å; I500-A511 WeakPolarHBondContact CA-O 3.31Å; I500-A511 WeakPolarHBondContact CG2-O 3.44Å; I500-C512 HydrophobicContact CG1-CB 4.18Å; I500-F514 HydrophobicContact CD1-CE1 3.73Å; I500-F514 HydrophobicContact CD1-CZ 3.66Å; I500-F514 HydrophobicContact CG1-CE1 3.59Å; I500-F514 HydrophobicContact CG1-CZ 3.86Å
501I98.2Very high90.9Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-121149.8169.858.8176.3000110.8M382 A385 L386 L486 R487 V498 A511M382-I501 HydrophobicContact CE-CG1 4.41Å; M382-I501 HydrophobicContact CE-CG2 4.02Å; M382-I501 HydrophobicContact CG-CD1 3.91Å; M382-I501 HydrophobicContact CG-CG1 3.96Å; A385-I501 HydrophobicContact CB-CD1 4.44Å; L386-I501 HydrophobicContact CB-CD1 4.1Å; L386-I501 HydrophobicContact CD1-CD1 4.47Å; L486-I501 HydrophobicContact CD1-CB 4.31Å; L486-I501 HydrophobicContact CD1-CD1 4.43Å; L486-I501 HydrophobicContact CD2-CB 4.22Å; L486-I501 HydrophobicContact CD2-CD1 4.2Å; L486-I501 HydrophobicContact CD2-CG2 4.07Å; L486-I501 HydrophobicContact CG-CB 4.35Å; R487-I501 CarbonylContact O-C 3.48Å; R487-I501 VanDerWaalsContact O-CA 3.31Å; R487-I501 WeakPolarHBondContact O-CA 3.21Å; V498-I501 HydrophobicContact CG1-CG2 3.78Å; I501-A511 HydrophobicContact CD1-CB 4.35Å; I501-A511 HydrophobicContact CG1-CB 3.94Å; I501-A511 PolarHBondContact N-O 3.02Å; I501-A511 PolarHBondContact O-N 3.26Å
502E96.9Very high91Very high7 Ų732.1 Ų32.13%0.03318%0.182CC..EExtended strand (participates in β ladder)trans-136.1153.2177.1-64.4175.8179.100110.7L453 V454 L486 R487 A489 P504 F509 V510L453-E502 WeakPolarHBondContact CB-OE1 3.44Å; L453-E502 PolarHBondContact N-OE1 3.11Å; L453-E502 PolarHBondContact N-OE2 2.95Å; L453-E502 VanDerWaalsContact N-OE2 3.08Å; V454-E502 VanDerWaalsContact CG1-OE1 3.28Å; V454-E502 WeakPolarHBondContact CG1-OE1 3.32Å; V454-E502 VanDerWaalsContact CG2-OE1 3.28Å; V454-E502 WeakPolarHBondContact CG2-OE1 3.3Å; V454-E502 PolarHBondContact N-OE1 3.34Å; L486-E502 WeakPolarHBondContact CD1-O 3.2Å; R487-E502 PolarHBondContact N-O 2.82Å; R487-E502 PolarHBondContact O-N 3.09Å; A489-E502 HydrophobicContact CB-CB 4.28Å; A489-E502 HydrophobicContact CB-CG 3.52Å; A489-E502 WeakPolarHBondContact CB-OE1 3.28Å; E502-P504 WeakPolarHBondContact O-CD 3.35Å; E502-F509 VanDerWaalsContact CA-O 3.28Å; E502-F509 WeakPolarHBondContact CA-O 3.32Å; E502-V510 HydrophobicContact CG-CG2 4.25Å
503V95.5Very high91.2Very high14 Ų1432 Ų329%0.08518%0.181CC..  trans-105.9104.6169.9-178.60000108.8Y389 L486 N505 H506 F509Y389-V503 HydrophobicContact CD2-CG2 4.03Å; Y389-V503 HydrophobicContact CE2-CG1 4.03Å; Y389-V503 HydrophobicContact CE2-CG2 3.83Å; L486-V503 HydrophobicContact CD1-CG2 3.85Å; V503-N505 VanDerWaalsContact C-N 3.29Å; V503-N505 PolarHBondContact O-N 2.89Å; V503-H506 HydrophobicContact CB-CB 4.11Å; V503-H506 HydrophobicContact CG1-CB 4.04Å; V503-H506 WeakPolarHBondContact O-CB 3.34Å; V503-H506 PolarHBondContact O-N 2.8Å; V503-F509 HydrophobicContact CB-CB 3.9Å; V503-F509 HydrophobicContact CB-CD1 4.13Å; V503-F509 HydrophobicContact CB-CG 4.01Å; V503-F509 HydrophobicContact CG2-CB 4.23Å; V503-F509 HydrophobicContact CG2-CD1 3.5Å; V503-F509 VanDerWaalsContact CG2-CD1 3.5Å; V503-F509 HydrophobicContact CG2-CD2 4.38Å; V503-F509 HydrophobicContact CG2-CE1 3.89Å; V503-F509 HydrophobicContact CG2-CG 3.78Å; V503-F509 HydrophobicContact CG2-CZ 4.49Å; V503-F509 PolarHBondContact N-O 2.93Å
504P86.8Confident91.9Very high65 Ų6530.3 Ų30.342%0.42216%0.163SC..THydrogen-bonded Turntrans-60.4-31.6-171.4-26.134.7000115.3G485 R487 E502 H506G485-P504 WeakPolarHBondContact O-CD 3.47Å; R487-P504 HydrophobicContact CB-CG 3.85Å; E502-P504 WeakPolarHBondContact O-CD 3.35Å; P504-H506 VanDerWaalsContact C-N 3.27Å; P504-H506 PolarHBondContact O-N 3.36Å
505N85.2Confident92.5Very high157 Ų15726.7 Ų26.784%0.8414%0.144SC*.THydrogen-bonded Turntrans-90.220.2-178-69.7-30.5000113.4V503V503-N505 VanDerWaalsContact C-N 3.29Å; V503-N505 PolarHBondContact O-N 2.89Å
506H87.7Confident93.4Very high17 Ų1723 Ų238%0.07912%0.124CC..SBendtrans-120142.7179.3-171.6-82.7000109.5A368 N372 I373 V503 P504 W508 F509A368-H506 PolarHBondContact O-NE2 2.73Å; N372-H506 VanDerWaalsContact C-NE2 3.32Å; N372-H506 VanDerWaalsContact CA-NE2 3.25Å; N372-H506 WeakPolarHBondContact CA-NE2 3.36Å; I373-H506 VanDerWaalsContact C-CE1 3.43Å; I373-H506 PolarHBondContact N-NE2 2.81Å; I373-H506 PolarHBondContact O-CE1 3.35Å; I373-H506 PolarHBondContact O-NE2 3.35Å; V503-H506 HydrophobicContact CB-CB 4.11Å; V503-H506 HydrophobicContact CG1-CB 4.04Å; V503-H506 WeakPolarHBondContact O-CB 3.34Å; V503-H506 PolarHBondContact O-N 2.8Å; P504-H506 VanDerWaalsContact C-N 3.27Å; P504-H506 PolarHBondContact O-N 3.36Å; H506-W508 VanDerWaalsContact C-N 3.26Å; H506-W508 PolarHBondContact CE1-O 3.43Å; H506-W508 PolarHBondContact ND1-N 2.81Å; H506-W508 VanDerWaalsContact ND1-N 3.2Å; H506-W508 PolarHBondContact ND1-O 2.97Å; H506-W508 PolarHBondContact O-N 2.84Å; H506-F509 HydrophobicContact CB-CB 3.87Å; H506-F509 WeakPolarHBondContact ND1-CB 3.38Å
507P78.2Confident94.1Very high57 Ų5718 Ų1837%0.3710%0.1SC..SBendtrans-56.9-39-176.220.6-34000113.5N372 L535N372-P507 HydrophobicContact CB-CG 4.02Å; N372-P507 WeakPolarHBondContact O-CG 3.27Å; N372-P507 WeakPolarHBondContact OD1-CD 3.31Å; P507-L535 HydrophobicContact CB-CD2 4.48Å
508W89.2Confident94.4Very high12 Ų1217.7 Ų17.75%0.04510%0.098CC..SBendtrans-157.6105.4172.5-159104.7000110P374 Y375 L376 L453 L457 H506 V510 L528 G531 F532P374-W508 VanDerWaalsContact CA-O 3.28Å; P374-W508 WeakPolarHBondContact CA-O 3.48Å; P374-W508 HydrophobicContact CB-CB 4.23Å; Y375-W508 PolarHBondContact N-O 3.38Å; Y375-W508 VanDerWaalsContact O-CE3 3.27Å; Y375-W508 WeakPolarHBondContact O-CZ3 3.35Å; L376-W508 HydrophobicContact CB-CH2 4.19Å; L376-W508 HydrophobicContact CB-CZ3 3.86Å; L376-W508 HydrophobicContact CD1-CH2 4.06Å; L376-W508 HydrophobicContact CD1-CZ3 4.3Å; L376-W508 HydrophobicContact CG-CH2 4.5Å; L453-W508 HydrophobicContact CD2-CD2 4.35Å; L453-W508 HydrophobicContact CD2-CG 4.09Å; L457-W508 HydrophobicContact CD1-CZ2 3.96Å; H506-W508 VanDerWaalsContact C-N 3.26Å; H506-W508 PolarHBondContact CE1-O 3.43Å; H506-W508 PolarHBondContact ND1-N 2.81Å; H506-W508 VanDerWaalsContact ND1-N 3.2Å; H506-W508 PolarHBondContact ND1-O 2.97Å; H506-W508 PolarHBondContact O-N 2.84Å; W508-V510 HydrophobicContact CD2-CG2 4.19Å; W508-V510 HydrophobicContact CE3-CB 4.3Å; W508-V510 HydrophobicContact CE3-CG2 4.07Å; W508-V510 HydrophobicContact CH2-CB 3.77Å; W508-V510 HydrophobicContact CH2-CG2 3.86Å; W508-V510 HydrophobicContact CZ2-CB 4.34Å; W508-V510 HydrophobicContact CZ2-CG2 3.93Å; W508-V510 HydrophobicContact CZ3-CB 3.72Å; W508-V510 HydrophobicContact CZ3-CG2 3.9Å; W508-L528 WeakPolarHBondContact CZ2-O 3.43Å; W508-G531 PolarHBondContact NE1-O 3.4Å; W508-F532 AromaticContact CD2-CD2 3.97Å; W508-F532 HydrophobicContact CD2-CD2 3.97Å; W508-F532 AromaticContact CE3-CD2 3.44Å; W508-F532 HydrophobicContact CE3-CD2 3.44Å; W508-F532 VanDerWaalsContact CE3-CD2 3.44Å; W508-F532 AromaticContact CE3-CE2 3.89Å; W508-F532 HydrophobicContact CE3-CE2 3.89Å; W508-F532 HydrophobicContact CH2-CB 3.98Å; W508-F532 AromaticContact CH2-CD2 3.66Å; W508-F532 HydrophobicContact CH2-CD2 3.66Å; W508-F532 HydrophobicContact CH2-CG 4.2Å; W508-F532 HydrophobicContact CZ2-CB 3.96Å; W508-F532 HydrophobicContact CZ2-CD2 4.18Å; W508-F532 HydrophobicContact CZ3-CB 4.47Å; W508-F532 AromaticContact CZ3-CD2 3.27Å; W508-F532 HydrophobicContact CZ3-CD2 3.27Å; W508-F532 AromaticContact CZ3-CE2 3.77Å; W508-F532 HydrophobicContact CZ3-CE2 3.77Å; W508-F532 HydrophobicContact CZ3-CG 4.24Å
509F95.4Very high94.4Very high5 Ų519.1 Ų19.12%0.02211%0.107CC..EExtended strand (participates in β ladder)trans-139.3104.9176.7-164.4-71.2000108.4R369 Y375 A385 E502 V503 H506R369-F509 HydrophobicContact CB-CD2 4.25Å; R369-F509 HydrophobicContact CB-CE2 3.78Å; Y375-F509 VanDerWaalsContact CB-CD2 3.48Å; Y375-F509 AromaticContact CD1-CD1 3.96Å; Y375-F509 HydrophobicContact CD1-CD1 3.96Å; Y375-F509 HydrophobicContact CD1-CD2 4.03Å; Y375-F509 AromaticContact CD1-CE1 3.52Å; Y375-F509 HydrophobicContact CD1-CE1 3.52Å; Y375-F509 AromaticContact CD1-CE2 3.59Å; Y375-F509 HydrophobicContact CD1-CE2 3.59Å; Y375-F509 HydrophobicContact CD1-CG 4.19Å; Y375-F509 AromaticContact CD1-CZ 3.32Å; Y375-F509 HydrophobicContact CD1-CZ 3.32Å; Y375-F509 HydrophobicContact CD2-CE2 4.29Å; Y375-F509 HydrophobicContact CD2-CZ 4.5Å; Y375-F509 AromaticContact CE1-CE1 3.91Å; Y375-F509 HydrophobicContact CE1-CE1 3.91Å; Y375-F509 HydrophobicContact CE1-CE2 4.36Å; Y375-F509 AromaticContact CE1-CZ 3.71Å; Y375-F509 HydrophobicContact CE1-CZ 3.71Å; Y375-F509 AromaticContact CG-CD2 3.96Å; Y375-F509 HydrophobicContact CG-CD2 3.96Å; Y375-F509 HydrophobicContact CG-CE1 4.34Å; Y375-F509 AromaticContact CG-CE2 3.55Å; Y375-F509 HydrophobicContact CG-CE2 3.55Å; Y375-F509 AromaticContact CG-CZ 3.77Å; Y375-F509 HydrophobicContact CG-CZ 3.77Å; A385-F509 HydrophobicContact CB-CE1 3.94Å; A385-F509 HydrophobicContact CB-CZ 3.98Å; E502-F509 VanDerWaalsContact CA-O 3.28Å; E502-F509 WeakPolarHBondContact CA-O 3.32Å; V503-F509 HydrophobicContact CB-CB 3.9Å; V503-F509 HydrophobicContact CB-CD1 4.13Å; V503-F509 HydrophobicContact CB-CG 4.01Å; V503-F509 HydrophobicContact CG2-CB 4.23Å; V503-F509 HydrophobicContact CG2-CD1 3.5Å; V503-F509 VanDerWaalsContact CG2-CD1 3.5Å; V503-F509 HydrophobicContact CG2-CD2 4.38Å; V503-F509 HydrophobicContact CG2-CE1 3.89Å; V503-F509 HydrophobicContact CG2-CG 3.78Å; V503-F509 HydrophobicContact CG2-CZ 4.49Å; V503-F509 PolarHBondContact N-O 2.93Å; H506-F509 HydrophobicContact CB-CB 3.87Å; H506-F509 WeakPolarHBondContact ND1-CB 3.38Å
510V97.1Very high94.5Very high0 Ų019.2 Ų19.20%011%0.108CC..EExtended strand (participates in β ladder)trans-128.4136.7-179.5-177.20000108.2Y375 L376 G377 L453 V454 I500 E502 W508 L528Y375-V510 PolarHBondContact O-N 3.49Å; Y375-V510 VanDerWaalsContact O-O 3.12Å; L376-V510 VanDerWaalsContact CA-O 3.31Å; L376-V510 WeakPolarHBondContact CA-O 3.49Å; G377-V510 PolarHBondContact N-O 2.69Å; L453-V510 HydrophobicContact CD2-CG2 3.74Å; L453-V510 HydrophobicContact CG-CG2 4.41Å; V454-V510 HydrophobicContact CG1-CG1 3.54Å; V454-V510 HydrophobicContact CG1-CG2 4.29Å; I500-V510 HydrophobicContact CG2-CG1 3.91Å; E502-V510 HydrophobicContact CG-CG2 4.25Å; W508-V510 HydrophobicContact CD2-CG2 4.19Å; W508-V510 HydrophobicContact CE3-CB 4.3Å; W508-V510 HydrophobicContact CE3-CG2 4.07Å; W508-V510 HydrophobicContact CH2-CB 3.77Å; W508-V510 HydrophobicContact CH2-CG2 3.86Å; W508-V510 HydrophobicContact CZ2-CB 4.34Å; W508-V510 HydrophobicContact CZ2-CG2 3.93Å; W508-V510 HydrophobicContact CZ3-CB 3.72Å; W508-V510 HydrophobicContact CZ3-CG2 3.9Å; V510-L528 HydrophobicContact CG1-CD2 4.14Å
511A98.2Very high94.4Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-138.2139.6167.400000110.7Y375 G377 M382 A385 I500 I501Y375-A511 HydrophobicContact CE1-CB 4.26Å; G377-A511 CarbonylContact O-C 3.54Å; G377-A511 WeakPolarHBondContact O-CA 3.29Å; M382-A511 HydrophobicContact CB-CB 3.75Å; M382-A511 HydrophobicContact CG-CB 4.03Å; A385-A511 HydrophobicContact CB-CB 4.34Å; I500-A511 CarbonylContact C-O 3.57Å; I500-A511 WeakPolarHBondContact CA-O 3.31Å; I500-A511 WeakPolarHBondContact CG2-O 3.44Å; I501-A511 HydrophobicContact CD1-CB 4.35Å; I501-A511 HydrophobicContact CG1-CB 3.94Å; I501-A511 PolarHBondContact N-O 3.02Å; I501-A511 PolarHBondContact O-N 3.26Å
512C98.1Very high94.3Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-130.2151.3-173.660.70000111.8G377 I378 C379 M382 E499 I500 F514G377-C512 PolarHBondContact O-N 2.71Å; I378-C512 CarbonylContact C-O 3.55Å; C379-C512 PolarHBondContact N-O 2.84Å; M382-C512 WeakPolarHBondContact CB-O 3.45Å; E499-C512 CarbonylContact O-C 3.53Å; E499-C512 VanDerWaalsContact O-CA 3.23Å; E499-C512 WeakPolarHBondContact O-CA 3.5Å; I500-C512 HydrophobicContact CG1-CB 4.18Å; C512-F514 HydrophobicContact CB-CD1 4.29Å; C512-F514 HydrophobicContact CB-CD2 4.08Å; C512-F514 HydrophobicContact CB-CE1 3.88Å; C512-F514 HydrophobicContact CB-CE2 3.63Å; C512-F514 HydrophobicContact CB-CG 4.38Å; C512-F514 HydrophobicContact CB-CZ 3.53Å
513Q96.9Very high94.3Very high1 Ų120.5 Ų20.51%0.00511%0.114CC..SBendtrans-85.4-32.2-175.7-163.866.221.100112C379 M382 H469 Y471 E499C379-Q513 WeakPolarHBondContact CB-O 3.42Å; M382-Q513 HydrophobicContact CE-CB 4.49Å; M382-Q513 HydrophobicContact SD-CB 3.69Å; M382-Q513 PolarHBondContact SD-N 3.46Å; M382-Q513 PolarHBondContact SD-OE1 3.34Å; M382-Q513 VanDerWaalsContact SD-OE1 3.35Å; H469-Q513 WeakPolarHBondContact CE1-CG 3.37Å; H469-Q513 PolarHBondContact ND1-NE2 3.11Å; H469-Q513 WeakPolarHBondContact NE2-CG 3.36Å; Y471-Q513 PolarHBondContact O-NE2 3.42Å; Y471-Q513 VanDerWaalsContact O-NE2 3.09Å; E499-Q513 PolarHBondContact O-N 2.88Å
514F97.3Very high94.2Very high0 Ų024.1 Ų24.10%013%0.133CC..SBendtrans-73.8176172.351.3-102.1000112.4I463 E465 R466 E499 I500 C512 P516 L528I463-F514 HydrophobicContact CD1-CE1 4.3Å; I463-F514 HydrophobicContact CD1-CZ 4.06Å; E465-F514 HydrophobicContact CB-CB 3.61Å; E465-F514 HydrophobicContact CB-CD1 3.77Å; E465-F514 HydrophobicContact CB-CD2 3.43Å; E465-F514 VanDerWaalsContact CB-CD2 3.43Å; E465-F514 HydrophobicContact CB-CE1 4.27Å; E465-F514 HydrophobicContact CB-CE2 4Å; E465-F514 HydrophobicContact CB-CG 3.32Å; E465-F514 HydrophobicContact CB-CZ 4.38Å; E465-F514 HydrophobicContact CG-CD1 4.18Å; E465-F514 HydrophobicContact CG-CD2 3.57Å; E465-F514 HydrophobicContact CG-CE1 4.17Å; E465-F514 HydrophobicContact CG-CE2 3.59Å; E465-F514 HydrophobicContact CG-CG 3.9Å; E465-F514 HydrophobicContact CG-CZ 3.9Å; R466-F514 CarbonylContact O-C 3.57Å; R466-F514 WeakPolarHBondContact O-CA 3.35Å; R466-F514 WeakPolarHBondContact O-CB 3.24Å; E499-F514 HydrophobicContact CB-CD1 4.46Å; E499-F514 HydrophobicContact CB-CE1 4.36Å; I500-F514 HydrophobicContact CD1-CE1 3.73Å; I500-F514 HydrophobicContact CD1-CZ 3.66Å; I500-F514 HydrophobicContact CG1-CE1 3.59Å; I500-F514 HydrophobicContact CG1-CZ 3.86Å; C512-F514 HydrophobicContact CB-CD1 4.29Å; C512-F514 HydrophobicContact CB-CD2 4.08Å; C512-F514 HydrophobicContact CB-CE1 3.88Å; C512-F514 HydrophobicContact CB-CE2 3.63Å; C512-F514 HydrophobicContact CB-CG 4.38Å; C512-F514 HydrophobicContact CB-CZ 3.53Å; F514-P516 HydrophobicContact CD2-CB 4.24Å; F514-P516 HydrophobicContact CD2-CG 4.37Å; F514-P516 HydrophobicContact CE2-CB 4.09Å; F514-P516 HydrophobicContact CE2-CG 4.31Å; F514-P516 VanDerWaalsContact O-CD 3.25Å; F514-P516 WeakPolarHBondContact O-CD 3.49Å; F514-L528 HydrophobicContact CE2-CD1 3.96Å; F514-L528 HydrophobicContact CZ-CD1 4.27Å
515H97.8Very high94.6Very high15 Ų1521.4 Ų21.47%0.06912%0.116CC..  trans-109.784.6179.3-74.2-89.8000110.7R466 E517 F518R466-H515 PolarHBondContact O-N 3.07Å; H515-E517 WeakPolarHBondContact CA-OE2 3.18Å; H515-E517 WeakPolarHBondContact CB-OE2 3.47Å; H515-E517 IonicContact CE1-OE1 3.78Å; H515-E517 IonicContact CG-OE1 3.72Å; H515-E517 IonicContact ND1-OE1 2.77Å; H515-E517 PolarHBondContact ND1-OE1 2.6Å; H515-E517 IonicContact ND1-OE2 2.97Å; H515-E517 PolarHBondContact O-N 3.18Å; H515-E517 VanDerWaalsContact O-N 3.14Å; H515-F518 HydrophobicContact CB-CD2 3.33Å; H515-F518 HydrophobicContact CB-CE2 3.38Å; H515-F518 HydrophobicContact CB-CG 4.14Å; H515-F518 HydrophobicContact CB-CZ 4.23Å; H515-F518 AromaticContact CG-CE2 3.62Å; H515-F518 PolarHBondContact O-N 2.96Å
516P97.8Very high95.1Very high0 Ų014.3 Ų14.30%08%0.078CC..G310 helixtrans-63.9-16.6-179.527.3-33.9000113.1I378 F514 F518 T519 S520 H526 L528 F529I378-P516 HydrophobicContact CD1-CG 4.28Å; I378-P516 HydrophobicContact CG1-CG 4.33Å; F514-P516 HydrophobicContact CD2-CB 4.24Å; F514-P516 HydrophobicContact CD2-CG 4.37Å; F514-P516 HydrophobicContact CE2-CB 4.09Å; F514-P516 HydrophobicContact CE2-CG 4.31Å; F514-P516 VanDerWaalsContact O-CD 3.25Å; F514-P516 WeakPolarHBondContact O-CD 3.49Å; P516-F518 PolarHBondContact O-N 3.24Å; P516-T519 PolarHBondContact O-N 2.82Å; P516-T519 PolarHBondContact O-OG1 3.05Å; P516-S520 PolarHBondContact O-N 2.89Å; P516-H526 WeakPolarHBondContact CB-CE1 3.33Å; P516-H526 WeakPolarHBondContact CB-NE2 3.34Å; P516-H526 PolarHBondContact O-CD2 2.93Å; P516-H526 VanDerWaalsContact O-CD2 3.22Å; P516-L528 HydrophobicContact CB-CD1 4.16Å; P516-L528 HydrophobicContact CG-CD1 4.17Å; P516-F529 HydrophobicContact CB-CE2 3.87Å; P516-F529 HydrophobicContact CG-CE2 3.76Å; P516-F529 HydrophobicContact CG-CZ 4.3Å
517E97.5Very high95.4Very high8 Ų815.7 Ų15.74%0.0379%0.089CC..G310 helixtrans-66.1-25.8176.967.6-90.3-145.800113.1V308 A311 H515 T519 F529V308-E517 HydrophobicContact CG2-CB 4.02Å; V308-E517 HydrophobicContact CG2-CG 3.7Å; A311-E517 HydrophobicContact CB-CB 4.01Å; H515-E517 WeakPolarHBondContact CA-OE2 3.18Å; H515-E517 WeakPolarHBondContact CB-OE2 3.47Å; H515-E517 IonicContact CE1-OE1 3.78Å; H515-E517 IonicContact CG-OE1 3.72Å; H515-E517 IonicContact ND1-OE1 2.77Å; H515-E517 PolarHBondContact ND1-OE1 2.6Å; H515-E517 IonicContact ND1-OE2 2.97Å; H515-E517 PolarHBondContact O-N 3.18Å; H515-E517 VanDerWaalsContact O-N 3.14Å; E517-T519 VanDerWaalsContact C-N 3.31Å; E517-F529 HydrophobicContact CB-CE2 4.3Å; E517-F529 HydrophobicContact CB-CZ 4.02Å
518F97.3Very high96.2Very high12 Ų1213 Ų135%0.0537%0.071CC..G310 helixtrans-78.1-18.3-179.7-61.5-34.4000113.2F61 V62 R466 H515 P516F61-F518 AromaticContact CD2-CD1 3.45Å; F61-F518 HydrophobicContact CD2-CD1 3.45Å; F61-F518 VanDerWaalsContact CD2-CD1 3.45Å; F61-F518 AromaticContact CD2-CE1 3.87Å; F61-F518 HydrophobicContact CD2-CE1 3.87Å; F61-F518 HydrophobicContact CD2-CG 4.17Å; F61-F518 HydrophobicContact CE2-CB 3.86Å; F61-F518 AromaticContact CE2-CD1 3.54Å; F61-F518 HydrophobicContact CE2-CD1 3.54Å; F61-F518 HydrophobicContact CE2-CE1 4.41Å; F61-F518 AromaticContact CE2-CG 3.97Å; F61-F518 HydrophobicContact CE2-CG 3.97Å; F61-F518 HydrophobicContact CG-CD1 4.41Å; F61-F518 HydrophobicContact CZ-CB 4.22Å; V62-F518 HydrophobicContact CB-CD2 3.97Å; V62-F518 HydrophobicContact CB-CE2 3.82Å; V62-F518 HydrophobicContact CG2-CE2 3.87Å; V62-F518 HydrophobicContact CG2-CZ 4.46Å; R466-F518 HydrophobicContact CB-CD2 4.23Å; R466-F518 PolarHBondContact NH1-O 3.4Å; H515-F518 HydrophobicContact CB-CD2 3.33Å; H515-F518 HydrophobicContact CB-CE2 3.38Å; H515-F518 HydrophobicContact CB-CG 4.14Å; H515-F518 HydrophobicContact CB-CZ 4.23Å; H515-F518 AromaticContact CG-CE2 3.62Å; H515-F518 PolarHBondContact O-N 2.96Å; P516-F518 PolarHBondContact O-N 3.24Å
519T97Very high96.4Very high31 Ų3112.4 Ų12.419%0.197%0.069CC..THydrogen-bonded Turntrans-101.6-4.1178.149.90000112.3E465 R466 P516 E517 H526E465-T519 WeakPolarHBondContact OE2-CG2 3.39Å; E465-T519 PolarHBondContact OE2-OG1 2.85Å; R466-T519 HydrophobicContact CG-CG2 4.36Å; P516-T519 PolarHBondContact O-N 2.82Å; P516-T519 PolarHBondContact O-OG1 3.05Å; E517-T519 VanDerWaalsContact C-N 3.31Å; T519-H526 PolarHBondContact OG1-CD2 2.92Å; T519-H526 PolarHBondContact OG1-NE2 2.94Å
520S97.4Very high95.9Very high2 Ų213.2 Ų13.21%0.0148%0.076CC..  trans-79.3132.2178.7-171.70000113.2A311 H314 P516A311-S520 WeakPolarHBondContact CA-OG 3.4Å; A311-S520 WeakPolarHBondContact CB-OG 3.43Å; H314-S520 PolarHBondContact ND1-OG 3.42Å; P516-S520 PolarHBondContact O-N 2.89Å
521T97.5Very high94.7Very high14 Ų1413.3 Ų13.39%0.0868%0.077CC..BIsolated β-bridgetrans-129.3154.7176.7810000111.3H314 R523 D524 G525H314-T521 VanDerWaalsContact CE1-C 3.5Å; H314-T521 VanDerWaalsContact ND1-C 3.27Å; H314-T521 PolarHBondContact ND1-N 2.88Å; H314-T521 PolarHBondContact ND1-O 3.3Å; T521-R523 VanDerWaalsContact C-N 3.25Å; T521-R523 PolarHBondContact O-N 3.43Å; T521-D524 WeakPolarHBondContact OG1-CB 3.41Å; T521-D524 PolarHBondContact OG1-N 3.15Å; T521-D524 PolarHBondContact OG1-OD2 3.4Å; T521-G525 WeakPolarHBondContact O-CA 3.26Å; T521-G525 PolarHBondContact O-N 2.89Å
522P96.1Very high92.8Very high0 Ų013.4 Ų13.40%08%0.078CC..THydrogen-bonded Turntrans-66.1-30177.126.5-35.1000112.4R78 Y245 W276 V279 H314 L317 K318R78-P522 WeakPolarHBondContact O-CD 3.46Å; Y245-P522 HydrophobicContact CD1-CB 4.35Å; Y245-P522 HydrophobicContact CD1-CG 4.24Å; Y245-P522 HydrophobicContact CE1-CB 3.77Å; Y245-P522 HydrophobicContact CE1-CG 3.72Å; Y245-P522 HydrophobicContact CE2-CB 4.43Å; W276-P522 HydrophobicContact CH2-CG 4.31Å; W276-P522 HydrophobicContact CZ3-CG 4.07Å; V279-P522 HydrophobicContact CG1-CB 4.01Å; V279-P522 HydrophobicContact CG2-CB 4.26Å; V279-P522 WeakPolarHBondContact CG2-O 3.45Å; H314-P522 WeakPolarHBondContact NE2-CD 3.47Å; L317-P522 HydrophobicContact CD1-CB 4.09Å; K318-P522 WeakPolarHBondContact CE-O 3.41Å; K318-P522 PolarHBondContact NZ-O 3.4Å
523R95.4Very high90.7Very high21 Ų2113.9 Ų13.98%0.0798%0.08CC..THydrogen-bonded Turntrans-73.1-46.9-179.5-66.8-178.3-69.5-178.1-6.4112E30 F79 E275 V279 K318 T521E30-R523 IonicContact OE2-CZ 3.69Å; E30-R523 IonicContact OE2-NH1 2.95Å; E30-R523 PolarHBondContact OE2-NH1 3.02Å; E30-R523 IonicContact OE2-NH2 3.34Å; E30-R523 PolarHBondContact OE2-NH2 3.42Å; F79-R523 PolarHBondContact O-NH2 2.81Å; E275-R523 HydrophobicContact CB-CG 4.37Å; V279-R523 HydrophobicContact CG2-CG 4.28Å; K318-R523 VanDerWaalsContact CE-O 3.24Å; K318-R523 WeakPolarHBondContact CE-O 3.46Å; K318-R523 PolarHBondContact NZ-O 3.19Å; T521-R523 VanDerWaalsContact C-N 3.25Å; T521-R523 PolarHBondContact O-N 3.43Å
524D95.1Very high88.6Confident90 Ų9017.3 Ų17.348%0.48110%0.098SC..THydrogen-bonded Turntrans-104.4-17.7-170-50.1-47.7000112.6R81 T521R81-D524 IonicContact CZ-OD1 3.63Å; R81-D524 IonicContact CZ-OD2 2.76Å; R81-D524 IonicContact NH1-OD1 2.55Å; R81-D524 PolarHBondContact NH1-OD1 3.06Å; R81-D524 IonicContact NH1-OD2 2.74Å; R81-D524 PolarHBondContact NH1-OD2 3.18Å; R81-D524 IonicContact NH2-OD1 3.66Å; R81-D524 PolarHBondContact NH2-OD1 3.19Å; R81-D524 IonicContact NH2-OD2 3.09Å; T521-D524 WeakPolarHBondContact OG1-CB 3.41Å; T521-D524 PolarHBondContact OG1-N 3.15Å; T521-D524 PolarHBondContact OG1-OD2 3.4Å
525G94.3Very high86.5Confident7 Ų718.7 Ų18.77%0.07211%0.106CC..BIsolated β-bridgetrans70.7-160.3-172.900000112.3T521T521-G525 WeakPolarHBondContact O-CA 3.26Å; T521-G525 PolarHBondContact O-N 2.89Å
526H96.5Very high84.8Confident8 Ų818.7 Ų18.74%0.03711%0.106CC..  trans-146.5133.9166.9-175.1-78.3000109.7Y458 E465 P516 T519 L528 F529 A530Y458-H526 AromaticContact CE1-CE1 3.94Å; Y458-H526 AromaticContact CZ-CE1 3.81Å; Y458-H526 PolarHBondContact OH-CE1 3.36Å; E465-H526 IonicContact OE1-CE1 3.79Å; E465-H526 IonicContact OE1-NE2 2.97Å; E465-H526 PolarHBondContact OE1-NE2 3.2Å; E465-H526 VanDerWaalsContact OE1-NE2 3.14Å; E465-H526 IonicContact OE2-NE2 3.37Å; P516-H526 WeakPolarHBondContact CB-CE1 3.33Å; P516-H526 WeakPolarHBondContact CB-NE2 3.34Å; P516-H526 PolarHBondContact O-CD2 2.93Å; P516-H526 VanDerWaalsContact O-CD2 3.22Å; T519-H526 PolarHBondContact OG1-CD2 2.92Å; T519-H526 PolarHBondContact OG1-NE2 2.94Å; H526-L528 VanDerWaalsContact C-N 3.34Å; H526-L528 PolarHBondContact ND1-N 3.39Å; H526-L528 VanDerWaalsContact ND1-N 3.17Å; H526-L528 PolarHBondContact O-N 2.86Å; H526-F529 HydrophobicContact CB-CB 4.44Å; H526-F529 HydrophobicContact CB-CD2 3.87Å; H526-F529 AromaticContact CG-CD2 3.94Å; H526-F529 AromaticContact ND1-CD2 3.78Å; H526-F529 PolarHBondContact O-N 2.94Å; H526-A530 PolarHBondContact O-N 3.22Å
527P93.7Very high83.7Confident46 Ų4618.8 Ų18.830%0.29911%0.107SC..Hα-helixtrans-54.1-42.9-173.2-30.837.7000115L457 Y458 G531L457-P527 HydrophobicContact CB-CB 4.41Å; Y458-P527 HydrophobicContact CD1-CB 3.88Å; Y458-P527 HydrophobicContact CD1-CG 3.69Å; Y458-P527 HydrophobicContact CE1-CB 4.16Å; Y458-P527 HydrophobicContact CE1-CG 4.02Å; Y458-P527 HydrophobicContact CG-CB 4.1Å; Y458-P527 HydrophobicContact CG-CG 4.34Å; P527-G531 WeakPolarHBondContact O-CA 3.5Å; P527-G531 PolarHBondContact O-N 3.2Å
528L94.6Very high83Confident0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-66.1-37.1177.9-66.8-176.8000113.4V454 L457 Y458 W508 V510 F514 P516 H526 F532V454-L528 HydrophobicContact CG1-CD2 3.65Å; L457-L528 HydrophobicContact CD1-CD2 4.08Å; Y458-L528 HydrophobicContact CD2-CD2 4.48Å; Y458-L528 HydrophobicContact CE2-CD1 4.12Å; Y458-L528 HydrophobicContact CE2-CD2 3.74Å; Y458-L528 HydrophobicContact CE2-CG 3.7Å; Y458-L528 WeakPolarHBondContact OH-CD1 3.43Å; Y458-L528 WeakPolarHBondContact OH-CG 3.25Å; W508-L528 WeakPolarHBondContact CZ2-O 3.43Å; V510-L528 HydrophobicContact CG1-CD2 4.14Å; F514-L528 HydrophobicContact CE2-CD1 3.96Å; F514-L528 HydrophobicContact CZ-CD1 4.27Å; P516-L528 HydrophobicContact CB-CD1 4.16Å; P516-L528 HydrophobicContact CG-CD1 4.17Å; H526-L528 VanDerWaalsContact C-N 3.34Å; H526-L528 PolarHBondContact ND1-N 3.39Å; H526-L528 VanDerWaalsContact ND1-N 3.17Å; H526-L528 PolarHBondContact O-N 2.86Å; L528-F532 WeakPolarHBondContact O-CB 3.44Å; L528-F532 PolarHBondContact O-N 3.43Å; L528-F532 VanDerWaalsContact O-N 3.14Å
529F93.1Very high82.7Confident1 Ų120.7 Ų20.70%0.00412%0.115CC..Hα-helixtrans-79.8-37.3-179.6-71-89.6000111.8A311 L312 L348 L376 I378 P516 E517 H526 F532A311-F529 HydrophobicContact CB-CD1 3.82Å; A311-F529 HydrophobicContact CB-CD2 3.84Å; A311-F529 HydrophobicContact CB-CE1 3.63Å; A311-F529 HydrophobicContact CB-CE2 3.63Å; A311-F529 HydrophobicContact CB-CG 3.92Å; A311-F529 HydrophobicContact CB-CZ 3.54Å; L312-F529 HydrophobicContact CD2-CD1 4.03Å; L312-F529 HydrophobicContact CD2-CE1 4.3Å; L312-F529 HydrophobicContact CG-CD1 4.25Å; L312-F529 HydrophobicContact CG-CE1 4.23Å; L348-F529 HydrophobicContact CD1-CE1 3.81Å; L376-F529 HydrophobicContact CD2-CD1 4.17Å; L376-F529 HydrophobicContact CD2-CE1 3.99Å; L376-F529 HydrophobicContact CD2-CZ 4.26Å; I378-F529 HydrophobicContact CD1-CZ 3.89Å; P516-F529 HydrophobicContact CB-CE2 3.87Å; P516-F529 HydrophobicContact CG-CE2 3.76Å; P516-F529 HydrophobicContact CG-CZ 4.3Å; E517-F529 HydrophobicContact CB-CE2 4.3Å; E517-F529 HydrophobicContact CB-CZ 4.02Å; H526-F529 HydrophobicContact CB-CB 4.44Å; H526-F529 HydrophobicContact CB-CD2 3.87Å; H526-F529 AromaticContact CG-CD2 3.94Å; H526-F529 AromaticContact ND1-CD2 3.78Å; H526-F529 PolarHBondContact O-N 2.94Å; F529-F532 WeakPolarHBondContact O-CB 3.38Å
530A84.9Confident82.4Confident21 Ų2122.6 Ų22.617%0.17413%0.126CC..Hα-helixtrans-69.1-37.9173.600000111.6K318 N319 H526 F532 E533K318-A530 HydrophobicContact CB-CB 4.34Å; N319-A530 PolarHBondContact ND2-O 3.3Å; H526-A530 PolarHBondContact O-N 3.22Å; A530-F532 VanDerWaalsContact C-N 3.34Å; A530-E533 PolarHBondContact O-N 3.42Å
531G71.9Confident82.1Confident2 Ų227.6 Ų27.62%0.02115%0.147CC..Hα-helixtrans-67.9-31.3176.800000113.7W508 P527 E533 N534W508-G531 PolarHBondContact NE1-O 3.4Å; P527-G531 WeakPolarHBondContact O-CA 3.5Å; P527-G531 PolarHBondContact O-N 3.2Å; G531-E533 PolarHBondContact O-N 2.96Å; G531-N534 PolarHBondContact O-N 3.35Å
532F59Low82.1Confident2 Ų227.4 Ų27.41%0.00915%0.146CC..THydrogen-bonded Turntrans-59-25.1177.5-168.9-134.4000112.9I292 L312 A346 I347 P374 L376 W508 L528 F529 A530 L535I292-F532 HydrophobicContact CD1-CD1 4.06Å; I292-F532 HydrophobicContact CD1-CE1 3.95Å; I292-F532 HydrophobicContact CG2-CE1 3.87Å; L312-F532 HydrophobicContact CD2-CD1 4.36Å; L312-F532 HydrophobicContact CD2-CE1 4.4Å; A346-F532 HydrophobicContact CB-CD1 4.39Å; A346-F532 HydrophobicContact CB-CE1 3.58Å; A346-F532 HydrophobicContact CB-CE2 3.95Å; A346-F532 HydrophobicContact CB-CZ 3.35Å; I347-F532 WeakPolarHBondContact O-CZ 3.24Å; P374-F532 HydrophobicContact CB-CD2 4.27Å; P374-F532 HydrophobicContact CB-CE2 3.87Å; L376-F532 HydrophobicContact CB-CD2 4.14Å; L376-F532 HydrophobicContact CB-CE2 3.85Å; L376-F532 HydrophobicContact CB-CZ 4.04Å; W508-F532 AromaticContact CD2-CD2 3.97Å; W508-F532 HydrophobicContact CD2-CD2 3.97Å; W508-F532 AromaticContact CE3-CD2 3.44Å; W508-F532 HydrophobicContact CE3-CD2 3.44Å; W508-F532 VanDerWaalsContact CE3-CD2 3.44Å; W508-F532 AromaticContact CE3-CE2 3.89Å; W508-F532 HydrophobicContact CE3-CE2 3.89Å; W508-F532 HydrophobicContact CH2-CB 3.98Å; W508-F532 AromaticContact CH2-CD2 3.66Å; W508-F532 HydrophobicContact CH2-CD2 3.66Å; W508-F532 HydrophobicContact CH2-CG 4.2Å; W508-F532 HydrophobicContact CZ2-CB 3.96Å; W508-F532 HydrophobicContact CZ2-CD2 4.18Å; W508-F532 HydrophobicContact CZ3-CB 4.47Å; W508-F532 AromaticContact CZ3-CD2 3.27Å; W508-F532 HydrophobicContact CZ3-CD2 3.27Å; W508-F532 AromaticContact CZ3-CE2 3.77Å; W508-F532 HydrophobicContact CZ3-CE2 3.77Å; W508-F532 HydrophobicContact CZ3-CG 4.24Å; L528-F532 WeakPolarHBondContact O-CB 3.44Å; L528-F532 PolarHBondContact O-N 3.43Å; L528-F532 VanDerWaalsContact O-N 3.14Å; F529-F532 WeakPolarHBondContact O-CB 3.38Å; A530-F532 VanDerWaalsContact C-N 3.34Å; F532-L535 WeakPolarHBondContact O-CD1 3.3Å
533E52.9Low82.2Confident11 Ų1128.7 Ų28.75%0.05115%0.152CC..THydrogen-bonded Turntrans-102.1-8.4-178.2-66.7174.4-179.200114.1G315 G316 N319 V323 A530 G531 L535 M536G315-E533 VanDerWaalsContact C-CD 3.46Å; G316-E533 WeakPolarHBondContact CA-OE1 3.46Å; G316-E533 VanDerWaalsContact CA-OE2 3.25Å; G316-E533 WeakPolarHBondContact CA-OE2 3.31Å; G316-E533 PolarHBondContact N-OE1 3.39Å; G316-E533 PolarHBondContact N-OE2 3.45Å; G316-E533 VanDerWaalsContact N-OE2 3.14Å; N319-E533 HydrophobicContact CB-CB 4.37Å; N319-E533 WeakPolarHBondContact CB-OE2 3.42Å; N319-E533 WeakPolarHBondContact ND2-CB 3.34Å; N319-E533 PolarHBondContact ND2-OE2 3.41Å; V323-E533 WeakPolarHBondContact CG2-OE1 3.39Å; A530-E533 PolarHBondContact O-N 3.42Å; G531-E533 PolarHBondContact O-N 2.96Å; E533-L535 PolarHBondContact O-N 3.22Å; E533-M536 VanDerWaalsContact O-CG 3.32Å; E533-M536 WeakPolarHBondContact O-CG 3.29Å; E533-M536 PolarHBondContact O-N 3.34Å
534N52.6Low82.4Confident73 Ų7328 Ų2839%0.3915%0.151SC..G310 helixtrans-66.56.4-174.2-128.9-22.1000114.3G531 M536 K620G531-N534 PolarHBondContact O-N 3.35Å; N534-M536 PolarHBondContact O-N 2.94Å; N534-K620 PolarHBondContact OD1-NZ 2.82Å
535L54.4Low82.5Confident29 Ų2929.4 Ų29.415%0.15215%0.15CC..G310 helixtrans-59.9-22167.4-67.2144.9000112.5P374 P507 F532 E533 S537 K538P374-L535 HydrophobicContact CB-CD1 3.83Å; P374-L535 HydrophobicContact CG-CD1 3.17Å; P374-L535 HydrophobicContact CG-CD2 4.16Å; P374-L535 HydrophobicContact CG-CG 4.28Å; P507-L535 HydrophobicContact CB-CD2 4.48Å; F532-L535 WeakPolarHBondContact O-CD1 3.3Å; E533-L535 PolarHBondContact O-N 3.22Å; L535-S537 PolarHBondContact O-N 3.28Å; L535-K538 HydrophobicContact CD2-CD 4.35Å; L535-K538 VanDerWaalsContact CD2-NZ 3.26Å; L535-K538 WeakPolarHBondContact O-CB 3.33Å; L535-K538 WeakPolarHBondContact O-CG 3.21Å; L535-K538 PolarHBondContact O-N 3.35Å
536M62.5Low82.7Confident15 Ų1531.9 Ų31.97%0.07416%0.16CC..G310 helixtrans-60.1-13.3-175.3-70.8-137.8-56.200117.2S288 N319 V321 E533 N534 L562 G564 F566S288-M536 PolarHBondContact OG-SD 2.84Å; N319-M536 HydrophobicContact CB-CE 4.07Å; N319-M536 WeakPolarHBondContact O-CE 3.11Å; V321-M536 HydrophobicContact CG2-CE 3.08Å; V321-M536 HydrophobicContact CG2-CG 4.48Å; V321-M536 HydrophobicContact CG2-SD 3.29Å; V321-M536 WeakPolarHBondContact CG2-SD 3.21Å; E533-M536 VanDerWaalsContact O-CG 3.32Å; E533-M536 WeakPolarHBondContact O-CG 3.29Å; E533-M536 PolarHBondContact O-N 3.34Å; N534-M536 PolarHBondContact O-N 2.94Å; M536-L562 WeakPolarHBondContact O-CB 3.43Å; M536-G564 PolarHBondContact O-N 2.56Å; M536-G564 WeakPolarHBondContact SD-CA 3.32Å; M536-F566 HydrophobicContact CE-CE2 4.09Å
537S73.5Confident82.7Confident2 Ų233.4 Ų33.41%0.01417%0.168CC..G310 helixtrans-91.12173.855.70000113.9L535 D618 A619L535-S537 PolarHBondContact O-N 3.28Å; S537-D618 WeakPolarHBondContact CB-OD1 3.42Å; S537-D618 PolarHBondContact OG-OD1 3.44Å; S537-A619 VanDerWaalsContact O-CB 3.29Å; S537-A619 WeakPolarHBondContact O-CB 3.15Å; S537-A619 PolarHBondContact O-N 2.97Å
538K82.9Confident82.8Confident59 Ų5935.4 Ų35.426%0.25718%0.175SC..BIsolated β-bridgetrans-67.6135.4173.9-74.1179.5177.2175.30111.4L535 V540 L562 E563 K617L535-K538 HydrophobicContact CD2-CD 4.35Å; L535-K538 VanDerWaalsContact CD2-NZ 3.26Å; L535-K538 WeakPolarHBondContact O-CB 3.33Å; L535-K538 WeakPolarHBondContact O-CG 3.21Å; L535-K538 PolarHBondContact O-N 3.35Å; K538-V540 PolarHBondContact O-N 3.01Å; K538-L562 CarbonylContact O-C 3.58Å; K538-L562 VanDerWaalsContact O-CA 3.24Å; K538-L562 WeakPolarHBondContact O-CA 3.26Å; K538-E563 HydrophobicContact CB-CB 4.38Å; K538-E563 PolarHBondContact O-N 3.27Å; K538-K617 CarbonylContact C-O 3.59Å; K538-K617 VanDerWaalsContact CA-O 3.32Å; K538-K617 WeakPolarHBondContact CA-O 3.42Å
539I90.3Very high82.7Confident1 Ų135.8 Ų35.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-70.1120.6174.8-59.9170000108.7I542 V560 L562 L614 I615 G616 K617 A619 I625 N653I539-I542 HydrophobicContact CG2-CD1 3.97Å; I539-I542 HydrophobicContact CG2-CG1 3.64Å; I539-V560 HydrophobicContact CD1-CG1 4.22Å; I539-V560 HydrophobicContact CG1-CG1 3.9Å; I539-V560 HydrophobicContact CG2-CG1 4.08Å; I539-L562 HydrophobicContact CB-CD2 4.43Å; I539-L562 HydrophobicContact CG1-CD2 3.82Å; I539-L614 HydrophobicContact CD1-CB 4.13Å; I539-I615 CarbonylContact O-C 3.47Å; I539-I615 WeakPolarHBondContact O-CA 3.43Å; I539-G616 PolarHBondContact O-N 3.16Å; I539-K617 PolarHBondContact N-O 3.37Å; I539-A619 HydrophobicContact CG1-CB 4.03Å; I539-I625 HydrophobicContact CD1-CD1 3.59Å; I539-I625 HydrophobicContact CD1-CG1 4.44Å; I539-N653 WeakPolarHBondContact CD1-OD1 3.41Å
540V90.6Very high82.7Confident70 Ų7037.6 Ų37.642%0.42419%0.19SC..EExtended strand (participates in β ladder)trans-104.2-23.6177.2-65.80000112.5K538 H561 E563K538-V540 PolarHBondContact O-N 3.01Å; V540-H561 HydrophobicContact CG2-CB 4.24Å; V540-H561 WeakPolarHBondContact CG2-O 3.47Å; V540-H561 PolarHBondContact N-O 3.5Å; V540-E563 HydrophobicContact CG1-CB 3.64Å; V540-E563 HydrophobicContact CG1-CG 4.23Å
541K92.9Very high82.9Confident107 Ų10739.5 Ų39.547%0.46519%0.192SC..EExtended strand (participates in β ladder)trans-157141.3-177.8-179.3-173.8-172.1-1700110.9I543 H561K541-I543 HydrophobicContact CD-CD1 4.22Å; K541-I543 HydrophobicContact CD-CG1 4.27Å; K541-I543 VanDerWaalsContact CE-CD1 3.49Å; K541-I543 HydrophobicContact CG-CG1 4.15Å; K541-H561 HydrophobicContact CB-CB 3.99Å; K541-H561 PolarHBondContact N-O 2.75Å; K541-H561 PolarHBondContact O-N 3.4Å
542I97.6Very high83.8Confident10 Ų1041.4 Ų41.45%0.05121%0.213CC..EExtended strand (participates in β ladder)trans-125.9138.3170.2-56.2-172.3000107.8I539 E559 V560 V606 A611 L614 V649I539-I542 HydrophobicContact CG2-CD1 3.97Å; I539-I542 HydrophobicContact CG2-CG1 3.64Å; I542-E559 CarbonylContact C-O 3.55Å; I542-E559 VanDerWaalsContact CA-O 3.26Å; I542-E559 WeakPolarHBondContact CA-O 3.39Å; I542-V560 HydrophobicContact CD1-CG2 4.33Å; I542-V560 HydrophobicContact CG1-CG2 4.25Å; I542-V560 HydrophobicContact CG2-CG2 4.45Å; I542-V606 HydrophobicContact CG2-CG1 3.79Å; I542-A611 HydrophobicContact CB-CB 4.03Å; I542-L614 HydrophobicContact CD1-CB 3.66Å; I542-L614 HydrophobicContact CD1-CD1 3.68Å; I542-L614 HydrophobicContact CD1-CG 4.26Å; I542-V649 HydrophobicContact CD1-CG1 4.12Å; I542-V649 HydrophobicContact CG2-CG2 4.24Å
543I98Very high85.5Confident27 Ų2742.4 Ų42.414%0.13822%0.218CC..EExtended strand (participates in β ladder)trans-127.8128.3177.3-49.3177.8000108.1K541 R545 A558 E559K541-I543 HydrophobicContact CD-CD1 4.22Å; K541-I543 HydrophobicContact CD-CG1 4.27Å; K541-I543 VanDerWaalsContact CE-CD1 3.49Å; K541-I543 HydrophobicContact CG-CG1 4.15Å; I543-R545 HydrophobicContact CG2-CG 4.14Å; I543-A558 CarbonylContact O-C 3.58Å; I543-A558 WeakPolarHBondContact O-CA 3.46Å; I543-E559 HydrophobicContact CB-CB 4.23Å; I543-E559 PolarHBondContact N-O 2.93Å; I543-E559 PolarHBondContact O-N 2.91Å
544G98Very high87.5Confident6 Ų641.9 Ų41.96%0.06222%0.216CC..EExtended strand (participates in β ladder)trans-105.5141.8168.400000111.1E557 V603 V606 N607G544-E557 CarbonylContact C-O 3.59Å; G544-E557 WeakPolarHBondContact CA-O 3.26Å; G544-V603 WeakPolarHBondContact O-CG1 3.15Å; G544-V606 VanDerWaalsContact CA-CG1 3.47Å; G544-N607 PolarHBondContact N-OD1 2.9Å; G544-N607 PolarHBondContact O-ND2 2.81Å
545R98.1Very high89.6Confident121 Ų12138.4 Ų38.446%0.45720%0.197SC..EExtended strand (participates in β ladder)trans-136.8149.8177.9-52.6-175.7119.5107.12.9110.7I543 V556 E557 E559I543-R545 HydrophobicContact CG2-CG 4.14Å; R545-V556 WeakPolarHBondContact O-CA 3.46Å; R545-E557 PolarHBondContact N-O 2.95Å; R545-E557 PolarHBondContact O-N 2.88Å; R545-E559 IonicContact CZ-OE1 2.66Å; R545-E559 IonicContact NH1-OE1 2.95Å; R545-E559 PolarHBondContact NH1-OE1 3.24Å
546E97.6Very high91.6Very high58 Ų5837 Ų3727%0.27119%0.19SC..EExtended strand (participates in β ladder)trans-88.1122.3167.6-174.4178.984.200108.8P554 T555 R593 F594 V599 V603E546-P554 HydrophobicContact CG-CB 3.62Å; E546-T555 WeakPolarHBondContact CA-O 3.42Å; E546-R593 IonicContact OE1-CZ 3.36Å; E546-R593 IonicContact OE1-NH2 2.77Å; E546-R593 PolarHBondContact OE1-NH2 3.39Å; E546-R593 IonicContact OE2-CZ 3.3Å; E546-R593 IonicContact OE2-NH1 3.94Å; E546-R593 IonicContact OE2-NH2 2.79Å; E546-R593 PolarHBondContact OE2-NH2 2.84Å; E546-F594 WeakPolarHBondContact OE1-CE2 3.42Å; E546-V599 HydrophobicContact CB-CG2 4.23Å; E546-V599 HydrophobicContact CG-CG2 3.61Å; E546-V599 WeakPolarHBondContact OE2-CG2 3.34Å; E546-V599 PolarHBondContact OE2-N 3.26Å; E546-V603 HydrophobicContact CB-CG2 4.11Å
547I97Very high93.4Very high41 Ų4138.2 Ų38.221%0.2120%0.195CC..EExtended strand (participates in β ladder)trans-120.5-177.1174.564.9155.9000109.7P554 T555 E557 A571 T910I547-P554 CarbonylContact O-C 3.57Å; I547-P554 WeakPolarHBondContact O-CA 3.36Å; I547-T555 HydrophobicContact CD1-CG2 4.04Å; I547-T555 HydrophobicContact CG1-CG2 3.69Å; I547-T555 PolarHBondContact N-O 2.97Å; I547-T555 PolarHBondContact O-N 3.12Å; I547-E557 HydrophobicContact CD1-CB 4.03Å; I547-E557 HydrophobicContact CG1-CB 4.05Å; I547-E557 HydrophobicContact CG2-CB 3.75Å; I547-A571 HydrophobicContact CD1-CB 3.68Å; I547-T910 HydrophobicContact CD1-CG2 4.31Å
548I95.5Very high94.5Very high88 Ų8838.1 Ų38.145%0.45119%0.194SC..EExtended strand (participates in β ladder)trans-116.6136.6-178.5-57.2-62.1000110.1G552 N553 P554 F594I548-G552 VanDerWaalsContact CG2-CA 3.49Å; I548-N553 WeakPolarHBondContact CA-O 3.34Å; I548-P554 HydrophobicContact CD1-CB 4.24Å; I548-F594 HydrophobicContact CD1-CE1 3.9Å; I548-F594 HydrophobicContact CD1-CZ 4.11Å
549D94.1Very high95.3Very high8 Ų836.7 Ų36.74%0.04319%0.188CC..  trans-86.1175.9173.871.719.3000113.2R551 G552 N553 T555 S574 E909D549-R551 PolarHBondContact O-N 2.96Å; D549-R551 WeakPolarHBondContact OD1-CA 2.99Å; D549-R551 PolarHBondContact OD1-N 3.18Å; D549-G552 PolarHBondContact O-N 3.25Å; D549-G552 PolarHBondContact OD1-N 2.76Å; D549-N553 VanDerWaalsContact CG-O 3.3Å; D549-N553 PolarHBondContact N-O 2.74Å; D549-N553 PolarHBondContact OD1-N 3.16Å; D549-T555 HydrophobicContact CB-CG2 4.28Å; D549-S574 PolarHBondContact OD2-OG 3.25Å; D549-E909 CarbonylContact C-O 3.53Å; D549-E909 WeakPolarHBondContact CA-O 3.21Å
550S91.3Very high95.7Very high38 Ų3836.6 Ų36.627%0.26619%0.188SC..THydrogen-bonded Turntrans-60.5-17.3-177.863.60000114.5S907 E909S550-S907 PolarHBondContact OG-O 3.36Å; S550-E909 WeakPolarHBondContact CB-O 3.13Å; S550-E909 PolarHBondContact N-O 3.08Å; S550-E909 PolarHBondContact OG-N 3.22Å
551R89.4Confident95.9Very high61 Ų6135.2 Ų35.223%0.2318%0.177CC..THydrogen-bonded Turntrans-97.52.7177.2-62.3-178.1-60.3153.4-3.2112.8D549 N553 S574 G575 S907 G908D549-R551 PolarHBondContact O-N 2.96Å; D549-R551 WeakPolarHBondContact OD1-CA 2.99Å; D549-R551 PolarHBondContact OD1-N 3.18Å; R551-N553 VanDerWaalsContact C-N 3.31Å; R551-S574 PolarHBondContact NH2-O 2.78Å; R551-S574 PolarHBondContact NH2-OG 2.85Å; R551-G575 PolarHBondContact NH2-O 3.32Å; R551-S907 WeakPolarHBondContact CD-O 3.39Å; R551-S907 WeakPolarHBondContact CG-O 3.37Å; R551-G908 VanDerWaalsContact NE-CA 3.25Å; R551-G908 VanDerWaalsContact NE-N 3.16Å
552G91.8Very high95.7Very high43 Ų4330.3 Ų30.344%0.44316%0.156SC..SBendtrans79.111.8-178.600000114I548 D549I548-G552 VanDerWaalsContact CG2-CA 3.49Å; D549-G552 PolarHBondContact O-N 3.25Å; D549-G552 PolarHBondContact OD1-N 2.76Å
553N93.7Very high94.8Very high23 Ų2334.4 Ų34.412%0.12318%0.175CC..  trans-92.2148.4175.5-56.9-63.1000110.1I548 D549 R551 K597I548-N553 WeakPolarHBondContact CA-O 3.34Å; D549-N553 VanDerWaalsContact CG-O 3.3Å; D549-N553 PolarHBondContact N-O 2.74Å; D549-N553 PolarHBondContact OD1-N 3.16Å; R551-N553 VanDerWaalsContact C-N 3.31Å; N553-K597 HydrophobicContact CB-CD 4.26Å; N553-K597 WeakPolarHBondContact OD1-CD 3.41Å; N553-K597 PolarHBondContact OD1-NZ 2.69Å
554P96Very high93.5Very high0 Ų033.1 Ų33.10%017%0.168CC..EExtended strand (participates in β ladder)trans-70.7145.2176.828.5-33.7000111.8E546 I547 I548 R587 F594 K597 V599E546-P554 HydrophobicContact CG-CB 3.62Å; I547-P554 CarbonylContact O-C 3.57Å; I547-P554 WeakPolarHBondContact O-CA 3.36Å; I548-P554 HydrophobicContact CD1-CB 4.24Å; P554-R587 PolarHBondContact O-NH1 3.01Å; P554-F594 HydrophobicContact CB-CD2 4.33Å; P554-F594 HydrophobicContact CB-CE2 4.46Å; P554-F594 HydrophobicContact CB-CG 4.48Å; P554-F594 HydrophobicContact CG-CB 3.8Å; P554-F594 HydrophobicContact CG-CD1 4.15Å; P554-F594 HydrophobicContact CG-CD2 3.83Å; P554-F594 HydrophobicContact CG-CE2 4.42Å; P554-F594 HydrophobicContact CG-CG 3.68Å; P554-K597 VanDerWaalsContact CG-O 3.29Å; P554-K597 WeakPolarHBondContact CG-O 3.45Å; P554-V599 HydrophobicContact CB-CG2 4.36Å
555T96.2Very high92.6Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-144.4180173.6-165.90000110.8E546 I547 D549 A572 T910E546-T555 WeakPolarHBondContact CA-O 3.42Å; I547-T555 HydrophobicContact CD1-CG2 4.04Å; I547-T555 HydrophobicContact CG1-CG2 3.69Å; I547-T555 PolarHBondContact N-O 2.97Å; I547-T555 PolarHBondContact O-N 3.12Å; D549-T555 HydrophobicContact CB-CG2 4.28Å; T555-A572 WeakPolarHBondContact CG2-O 3.34Å; T555-A572 PolarHBondContact OG1-O 2.84Å; T555-T910 HydrophobicContact CG2-CG2 4.07Å
556V97.5Very high92.1Very high0 Ų030.7 Ų30.70%017%0.173CC..EExtended strand (participates in β ladder)trans-102.1131.7-174.3-178.20000110.9R545 A571 A572 V599 A602 V603 V606 N644 A648R545-V556 WeakPolarHBondContact O-CA 3.46Å; V556-A571 WeakPolarHBondContact O-CA 3.39Å; V556-A572 PolarHBondContact O-N 2.85Å; V556-V599 HydrophobicContact CG2-CB 4.11Å; V556-V599 HydrophobicContact CG2-CG2 3.92Å; V556-A602 HydrophobicContact CG2-CB 3.72Å; V556-V603 HydrophobicContact CG2-CG2 4.17Å; V556-V606 HydrophobicContact CG1-CG2 4.15Å; V556-N644 HydrophobicContact CG2-CB 4.32Å; V556-N644 WeakPolarHBondContact CG2-ND2 3.43Å; V556-A648 HydrophobicContact CB-CB 4.49Å; V556-A648 HydrophobicContact CG1-CB 4Å
557E98.4Very high91.8Very high39 Ų3931.3 Ų31.318%0.18218%0.181CC..EExtended strand (participates in β ladder)trans-111.5141.9161.9-177.5176.1-114.400109G544 R545 I547 M569 A570 A571G544-E557 CarbonylContact C-O 3.59Å; G544-E557 WeakPolarHBondContact CA-O 3.26Å; R545-E557 PolarHBondContact N-O 2.95Å; R545-E557 PolarHBondContact O-N 2.88Å; I547-E557 HydrophobicContact CD1-CB 4.03Å; I547-E557 HydrophobicContact CG1-CB 4.05Å; I547-E557 HydrophobicContact CG2-CB 3.75Å; E557-M569 HydrophobicContact CG-CG 3.96Å; E557-A570 CarbonylContact C-O 3.58Å; E557-A570 WeakPolarHBondContact CA-O 3.49Å; E557-A571 HydrophobicContact CB-CB 4.33Å; E557-A571 HydrophobicContact CG-CB 4.45Å
558A98.6Very high91.8Very high0 Ų029.4 Ų29.40%017%0.171CC..EExtended strand (participates in β ladder)trans-125.3146.4173.800000111.5I543 M569 A570 V606 A648 V649 A652I543-A558 CarbonylContact O-C 3.58Å; I543-A558 WeakPolarHBondContact O-CA 3.46Å; A558-M569 VanDerWaalsContact O-CA 3.32Å; A558-M569 WeakPolarHBondContact O-CA 3.28Å; A558-A570 PolarHBondContact N-O 3.47Å; A558-A570 PolarHBondContact O-N 3.05Å; A558-V606 HydrophobicContact CB-CG1 4.36Å; A558-A648 HydrophobicContact CB-CB 3.8Å; A558-V649 HydrophobicContact CB-CB 4.48Å; A558-V649 HydrophobicContact CB-CG2 3.77Å; A558-A652 HydrophobicContact CB-CB 4.27Å; A558-A652 WeakPolarHBondContact O-CB 3.2Å
559E98.2Very high92Very high29 Ų2929.7 Ų29.714%0.13617%0.172CC..EExtended strand (participates in β ladder)trans-117.4134.3168.4-60.5170.4-135.500109.1I542 I543 R545 H561 V567 G568 M569I542-E559 CarbonylContact C-O 3.55Å; I542-E559 VanDerWaalsContact CA-O 3.26Å; I542-E559 WeakPolarHBondContact CA-O 3.39Å; I543-E559 HydrophobicContact CB-CB 4.23Å; I543-E559 PolarHBondContact N-O 2.93Å; I543-E559 PolarHBondContact O-N 2.91Å; R545-E559 IonicContact CZ-OE1 2.66Å; R545-E559 IonicContact NH1-OE1 2.95Å; R545-E559 PolarHBondContact NH1-OE1 3.24Å; E559-H561 IonicContact OE2-CE1 2.8Å; E559-H561 IonicContact OE2-NE2 3.66Å; E559-H561 PolarHBondContact OE2-NE2 2.56Å; E559-V567 HydrophobicContact CB-CG1 4.45Å; E559-G568 CarbonylContact C-O 3.56Å; E559-G568 VanDerWaalsContact CA-O 3.28Å; E559-G568 WeakPolarHBondContact CA-O 3.46Å; E559-M569 HydrophobicContact CG-CB 4.34Å; E559-M569 HydrophobicContact CG-CG 3.95Å; E559-M569 HydrophobicContact CG-SD 4.19Å
560V98.3Very high92.2Very high0 Ų029.4 Ų29.40%017%0.17CC..EExtended strand (participates in β ladder)trans-117.2120.7171.9175.20000107.8I539 I542 L562 V567 G568 V649 A652 N653 A656I539-V560 HydrophobicContact CD1-CG1 4.22Å; I539-V560 HydrophobicContact CG1-CG1 3.9Å; I539-V560 HydrophobicContact CG2-CG1 4.08Å; I542-V560 HydrophobicContact CD1-CG2 4.33Å; I542-V560 HydrophobicContact CG1-CG2 4.25Å; I542-V560 HydrophobicContact CG2-CG2 4.45Å; V560-L562 HydrophobicContact CG1-CD2 3.87Å; V560-V567 WeakPolarHBondContact O-CA 3.45Å; V560-G568 PolarHBondContact N-O 3.06Å; V560-G568 PolarHBondContact O-N 3.38Å; V560-V649 HydrophobicContact CG2-CG1 4.26Å; V560-A652 HydrophobicContact CB-CB 4.32Å; V560-A652 HydrophobicContact CG2-CB 3.79Å; V560-N653 HydrophobicContact CG2-CB 4.33Å; V560-A656 HydrophobicContact CB-CB 4.26Å; V560-A656 HydrophobicContact CG1-CB 4.15Å
561H94.8Very high92.5Very high41 Ų4127.9 Ų27.919%0.1916%0.16CC..EExtended strand (participates in β ladder)trans-108.3130.1-178.4-63.9-122.7000108.5V540 K541 E559 V567V540-H561 HydrophobicContact CG2-CB 4.24Å; V540-H561 WeakPolarHBondContact CG2-O 3.47Å; V540-H561 PolarHBondContact N-O 3.5Å; K541-H561 HydrophobicContact CB-CB 3.99Å; K541-H561 PolarHBondContact N-O 2.75Å; K541-H561 PolarHBondContact O-N 3.4Å; E559-H561 IonicContact OE2-CE1 2.8Å; E559-H561 IonicContact OE2-NE2 3.66Å; E559-H561 PolarHBondContact OE2-NE2 2.56Å; H561-V567 HydrophobicContact CB-CG2 4.5Å
562L88.8Confident92.8Very high4 Ų425 Ų252%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-102.1156.5-179.5-49.4-174.9000111M536 K538 I539 V560 G564 G565 F566 A619 A656 A660M536-L562 WeakPolarHBondContact O-CB 3.43Å; K538-L562 CarbonylContact O-C 3.58Å; K538-L562 VanDerWaalsContact O-CA 3.24Å; K538-L562 WeakPolarHBondContact O-CA 3.26Å; I539-L562 HydrophobicContact CB-CD2 4.43Å; I539-L562 HydrophobicContact CG1-CD2 3.82Å; V560-L562 HydrophobicContact CG1-CD2 3.87Å; L562-G564 PolarHBondContact O-N 3.18Å; L562-G564 VanDerWaalsContact O-N 3.17Å; L562-G565 PolarHBondContact O-N 2.92Å; L562-F566 HydrophobicContact CB-CB 4.34Å; L562-F566 HydrophobicContact CD1-CB 4.19Å; L562-F566 HydrophobicContact CG-CB 4.4Å; L562-F566 PolarHBondContact N-O 2.91Å; L562-A619 HydrophobicContact CD1-CB 3.83Å; L562-A619 HydrophobicContact CD2-CB 3.41Å; L562-A619 VanDerWaalsContact CD2-CB 3.41Å; L562-A619 HydrophobicContact CG-CB 4.29Å; L562-A656 HydrophobicContact CD1-CB 3.77Å; L562-A656 WeakPolarHBondContact CD1-O 3.26Å; L562-A656 HydrophobicContact CD2-CB 4.09Å; L562-A656 HydrophobicContact CG-CB 3.84Å; L562-A660 HydrophobicContact CD1-CB 3.76Å
563E80.1Confident92.9Very high96 Ų9623 Ų2345%0.44913%0.129SC..THydrogen-bonded Turntrans-54.5-33.8178.9-174.4164-139.700111.7K538 V540 G565K538-E563 HydrophobicContact CB-CB 4.38Å; K538-E563 PolarHBondContact O-N 3.27Å; V540-E563 HydrophobicContact CG1-CB 3.64Å; V540-E563 HydrophobicContact CG1-CG 4.23Å; E563-G565 PolarHBondContact O-N 2.85Å
564G70.2Confident92.6Very high0 Ų022 Ų220%012%0.123CC..THydrogen-bonded Turntrans-76.912.9174.400000116.4S288 M536 L562 F566S288-G564 WeakPolarHBondContact CB-O 3.34Å; M536-G564 PolarHBondContact O-N 2.56Å; M536-G564 WeakPolarHBondContact SD-CA 3.32Å; L562-G564 PolarHBondContact O-N 3.18Å; L562-G564 VanDerWaalsContact O-N 3.17Å; G564-F566 WeakPolarHBondContact O-CD2 3.42Å; G564-F566 WeakPolarHBondContact O-CE2 3.46Å; G564-F566 PolarHBondContact O-N 2.82Å
565G78.9Confident91.8Very high49 Ų4922.6 Ų22.651%0.50513%0.13SC..SBendtrans77.8-0178.700000114.9L562 E563L562-G565 PolarHBondContact O-N 2.92Å; E563-G565 PolarHBondContact O-N 2.85Å
566F87Confident90.4Very high27 Ų2725.7 Ų25.712%0.11816%0.155CC..  trans-73.3138.2176-54.9-79.3000111V287 M536 L562 G564 A659 A660V287-F566 HydrophobicContact CB-CE1 4.13Å; V287-F566 HydrophobicContact CB-CZ 4.06Å; V287-F566 HydrophobicContact CG1-CD1 4.01Å; V287-F566 HydrophobicContact CG1-CE1 3.6Å; V287-F566 HydrophobicContact CG1-CZ 3.86Å; V287-F566 HydrophobicContact CG2-CE1 4.06Å; V287-F566 HydrophobicContact CG2-CZ 4.22Å; M536-F566 HydrophobicContact CE-CE2 4.09Å; L562-F566 HydrophobicContact CB-CB 4.34Å; L562-F566 HydrophobicContact CD1-CB 4.19Å; L562-F566 HydrophobicContact CG-CB 4.4Å; L562-F566 PolarHBondContact N-O 2.91Å; G564-F566 WeakPolarHBondContact O-CD2 3.42Å; G564-F566 WeakPolarHBondContact O-CE2 3.46Å; G564-F566 PolarHBondContact O-N 2.82Å; F566-A659 HydrophobicContact CB-CB 4.21Å; F566-A659 VanDerWaalsContact CD1-C 3.48Å; F566-A659 HydrophobicContact CD1-CB 4.03Å; F566-A659 WeakPolarHBondContact CD1-O 3.12Å; F566-A659 VanDerWaalsContact CE1-O 3.28Å; F566-A659 WeakPolarHBondContact CE1-O 3.25Å; F566-A659 HydrophobicContact CG-CB 4.49Å; F566-A660 HydrophobicContact CB-CB 4.25Å; F566-A660 HydrophobicContact CD1-CB 4.48Å; F566-A660 HydrophobicContact CD2-CB 3.52Å; F566-A660 HydrophobicContact CE2-CB 3.94Å; F566-A660 HydrophobicContact CG-CB 3.83Å
567V93Very high88.7Confident70 Ų7029.5 Ų29.542%0.42418%0.182SC..EExtended strand (participates in β ladder)trans-127.5127.5179.1-174.40000109.4E559 V560 H561E559-V567 HydrophobicContact CB-CG1 4.45Å; V560-V567 WeakPolarHBondContact O-CA 3.45Å; H561-V567 HydrophobicContact CB-CG2 4.5Å
568G97Very high87Confident1 Ų131 Ų311%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-108.1139.616700000110.2E559 V560 A652E559-G568 CarbonylContact C-O 3.56Å; E559-G568 VanDerWaalsContact CA-O 3.28Å; E559-G568 WeakPolarHBondContact CA-O 3.46Å; V560-G568 PolarHBondContact N-O 3.06Å; V560-G568 PolarHBondContact O-N 3.38Å; G568-A652 WeakPolarHBondContact CA-O 3.43Å
569M98.2Very high85.4Confident95 Ų9531.5 Ų31.547%0.46820%0.199SC..EExtended strand (participates in β ladder)trans-132.8130.3-179.7-173.8174.576.300109.7E557 A558 E559 K655E557-M569 HydrophobicContact CG-CG 3.96Å; A558-M569 VanDerWaalsContact O-CA 3.32Å; A558-M569 WeakPolarHBondContact O-CA 3.28Å; E559-M569 HydrophobicContact CG-CB 4.34Å; E559-M569 HydrophobicContact CG-CG 3.95Å; E559-M569 HydrophobicContact CG-SD 4.19Å; M569-K655 WeakPolarHBondContact O-CD 3.14Å; M569-K655 WeakPolarHBondContact O-CE 3.3Å; M569-K655 PolarHBondContact O-NZ 2.74Å
570A98.2Very high84Confident1 Ų135 Ų351%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-147.2150.8178.700000112.9E557 A558 L651 A652 K655 D912E557-A570 CarbonylContact C-O 3.58Å; E557-A570 WeakPolarHBondContact CA-O 3.49Å; A558-A570 PolarHBondContact N-O 3.47Å; A558-A570 PolarHBondContact O-N 3.05Å; A570-L651 HydrophobicContact CB-CB 3.42Å; A570-L651 VanDerWaalsContact CB-CB 3.42Å; A570-A652 HydrophobicContact CB-CB 4.11Å; A570-K655 HydrophobicContact CB-CD 4.27Å; A570-D912 WeakPolarHBondContact CA-OD2 3.49Å; A570-D912 WeakPolarHBondContact CB-OD2 3.33Å
571A97.4Very high83.1Confident6 Ų639.2 Ų39.25%0.0524%0.243CC..EExtended strand (participates in β ladder)trans-119.6143.3179.600000111.8I547 V556 E557 T910 D912I547-A571 HydrophobicContact CD1-CB 3.68Å; V556-A571 WeakPolarHBondContact O-CA 3.39Å; E557-A571 HydrophobicContact CB-CB 4.33Å; E557-A571 HydrophobicContact CG-CB 4.45Å; A571-T910 HydrophobicContact CB-CG2 3.83Å; A571-D912 HydrophobicContact CB-CB 4.39Å; A571-D912 PolarHBondContact N-OD2 3.43Å
572A95.7Very high82.6Confident0 Ų037.5 Ų37.50%023%0.234CC..  trans-88.8123.1176.100000110.3T555 V556 N644 L647 A648T555-A572 WeakPolarHBondContact CG2-O 3.34Å; T555-A572 PolarHBondContact OG1-O 2.84Å; V556-A572 PolarHBondContact O-N 2.85Å; A572-N644 HydrophobicContact CB-CB 3.95Å; A572-N644 WeakPolarHBondContact CB-O 3.3Å; A572-L647 HydrophobicContact CB-CD2 4.28Å; A572-A648 HydrophobicContact CB-CB 4.29Å
573P93.9Very high82.4Confident3 Ų337.7 Ų37.72%0.01924%0.237CC..  trans-77.1164.4171.635.6-36.9000111.1F878 N879 R906 G908P573-F878 HydrophobicContact CG-CE2 3.92Å; P573-N879 PolarHBondContact O-ND2 3.49Å; P573-R906 HydrophobicContact CB-CB 4.17Å; P573-R906 HydrophobicContact CG-CG 4.45Å; P573-G908 CarbonylContact C-O 3.57Å; P573-G908 WeakPolarHBondContact CA-O 3.47Å
574S88.8Confident82.8Confident0 Ų036.1 Ų36.10%023%0.231CC..BIsolated β-bridgetrans-128142.9-174.688.20000115.9D549 R551 E585 R906 G908D549-S574 PolarHBondContact OD2-OG 3.25Å; R551-S574 PolarHBondContact NH2-O 2.78Å; R551-S574 PolarHBondContact NH2-OG 2.85Å; S574-E585 WeakPolarHBondContact CA-OE1 3.49Å; S574-E585 WeakPolarHBondContact CB-OE1 3.46Å; S574-R906 WeakPolarHBondContact O-CB 3.21Å; S574-G908 PolarHBondContact N-O 3.49Å; S574-G908 WeakPolarHBondContact O-CA 3.49Å; S574-G908 PolarHBondContact O-N 3.17Å
575G78.5Confident83.8Confident14 Ų1437.6 Ų37.614%0.14424%0.238CC..  trans-85.2156.517700000113.7R551R551-G575 PolarHBondContact NH2-O 3.32Å
576A67.5Low84.4Confident65 Ų6537 Ų3754%0.53722%0.223SC..SBendtrans-77.6-45.6172.600000112.8S907A576-S907 WeakPolarHBondContact CB-OG 3.5Å; A576-S907 PolarHBondContact N-OG 3.18Å
577S60.3Low84.8Confident80 Ų8038.5 Ų38.556%0.55923%0.228SC*.SBendtrans-109.6142.8165.4-168.70000107.9
578T63.6Low84.8Confident71 Ų7135.9 Ų35.944%0.43621%0.212SC..  trans-103.4108.6168.13.40000106.3E582 L584T578-E582 HydrophobicContact CG2-CB 4.47Å; T578-L584 HydrophobicContact CG2-CD2 4.45Å
579G64.7Low84.7Confident10 Ų1038.5 Ų38.510%0.10324%0.239CC..  trans-55.1150.8177.300000111.5R581 E582G579-R581 PolarHBondContact O-N 2.94Å; G579-E582 PolarHBondContact O-N 2.91Å; G579-E582 VanDerWaalsContact O-N 3.11Å
580S68.9Low84.5Confident103 Ų10337.8 Ų37.872%0.7224%0.237SC*.THydrogen-bonded Turntrans-59.9-15.6-174.664.30000114.2E830S580-E830 PolarHBondContact OG-OE1 2.9Å
581R79.2Confident84.3Confident88 Ų8846.2 Ų46.233%0.33227%0.273SS..THydrogen-bonded Turntrans-109.8-2.3-174.7-57.8179.7-175.1-175.3-1114G579 V856 I861G579-R581 PolarHBondContact O-N 2.94Å; R581-V856 HydrophobicContact CB-CG2 3.84Å; R581-I861 HydrophobicContact CB-CD1 3.79Å; R581-I861 HydrophobicContact CG-CD1 4.26Å
582E83.7Confident84.2Confident4 Ų450.9 Ų50.92%0.01931%0.305CS..SBendtrans-79.9157.8-177.9-61.9-166.9165.800112.7T578 G579 V856 Q880 R906T578-E582 HydrophobicContact CG2-CB 4.47Å; G579-E582 PolarHBondContact O-N 2.91Å; G579-E582 VanDerWaalsContact O-N 3.11Å; E582-V856 HydrophobicContact CG-CB 3.92Å; E582-V856 HydrophobicContact CG-CG1 3.55Å; E582-Q880 HydrophobicContact CG-CG 4.21Å; E582-Q880 WeakPolarHBondContact OE1-CG 3.38Å; E582-Q880 PolarHBondContact OE1-NE2 2.83Å; E582-R906 VanDerWaalsContact CD-NH2 3.31Å; E582-R906 IonicContact OE1-CZ 3.92Å; E582-R906 IonicContact OE1-NH1 3.21Å; E582-R906 PolarHBondContact OE1-NH1 3.42Å; E582-R906 IonicContact OE1-NH2 2.95Å; E582-R906 PolarHBondContact OE1-NH2 2.92Å; E582-R906 IonicContact OE2-CZ 3.78Å; E582-R906 IonicContact OE2-NH1 3.41Å; E582-R906 PolarHBondContact OE2-NH1 2.65Å; E582-R906 IonicContact OE2-NH2 3.44Å; E582-R906 PolarHBondContact OE2-NH2 3.41Å
583A86.2Confident84.2Confident8 Ų854.3 Ų54.37%0.06632%0.318CS..PPolyproline II helixtrans-62.3135.9161.600000109.9N637 K638 A643 Q880A583-N637 CarbonylContact C-O 3.57Å; A583-N637 WeakPolarHBondContact CA-O 3.28Å; A583-K638 HydrophobicContact CB-CD 4.21Å; A583-A643 HydrophobicContact CB-CB 3.57Å; A583-Q880 WeakPolarHBondContact CB-O 3.32Å; A583-Q880 PolarHBondContact N-O 3.16Å
584L88.5Confident84.2Confident64 Ų6458.4 Ų58.434%0.33534%0.336SS..PPolyproline II helixtrans-91.7130.9-169.6-68.1-179.3000112T578 N637 G642 A643T578-L584 HydrophobicContact CG2-CD2 4.45Å; L584-N637 WeakPolarHBondContact CD1-ND2 3.44Å; L584-N637 HydrophobicContact CG-CB 4.42Å; L584-N637 PolarHBondContact N-O 3.25Å; L584-G642 WeakPolarHBondContact O-CA 3.47Å; L584-A643 PolarHBondContact O-N 2.88Å
585E89.8Confident84.4Confident31 Ų3165.8 Ų65.815%0.14537%0.374CS..PPolyproline II helixtrans-70.5136.6165.9-64.5-179.4179.200111.2S574 R587 N644S574-E585 WeakPolarHBondContact CA-OE1 3.49Å; S574-E585 WeakPolarHBondContact CB-OE1 3.46Å; E585-R587 PolarHBondContact O-N 2.87Å; E585-R587 IonicContact OE2-CZ 3.69Å; E585-R587 VanDerWaalsContact OE2-CZ 3.23Å; E585-R587 IonicContact OE2-NE 2.8Å; E585-R587 PolarHBondContact OE2-NE 2.97Å; E585-R587 VanDerWaalsContact OE2-NE 3.1Å; E585-R587 IonicContact OE2-NH2 3.55Å; E585-R587 PolarHBondContact OE2-NH2 2.96Å; E585-N644 HydrophobicContact CG-CB 4.25Å
586L93.3Very high85.1Confident35 Ų3565.6 Ų65.618%0.18337%0.373CS..  trans-87.5102.2177.4-177.361.6000110.6K601 A602 K640 F641 N644L586-K601 HydrophobicContact CD2-CB 3.84Å; L586-K601 HydrophobicContact CG-CB 4.1Å; L586-A602 HydrophobicContact CB-CB 4.12Å; L586-A602 HydrophobicContact CD2-CB 4.49Å; L586-K640 WeakPolarHBondContact CD2-O 3.45Å; L586-F641 WeakPolarHBondContact CD2-O 3.4Å; L586-N644 PolarHBondContact N-OD1 3.17Å; L586-N644 VanDerWaalsContact N-OD1 3.08Å
587R94Very high86.4Confident59 Ų5966.4 Ų66.422%0.22336%0.364CS..  trans-96.9147.6174.8-56.8-68.8-177.3165.7-3111.1P554 E585 G589 K597 G598P554-R587 PolarHBondContact O-NH1 3.01Å; E585-R587 PolarHBondContact O-N 2.87Å; E585-R587 IonicContact OE2-CZ 3.69Å; E585-R587 VanDerWaalsContact OE2-CZ 3.23Å; E585-R587 IonicContact OE2-NE 2.8Å; E585-R587 PolarHBondContact OE2-NE 2.97Å; E585-R587 VanDerWaalsContact OE2-NE 3.1Å; E585-R587 IonicContact OE2-NH2 3.55Å; E585-R587 PolarHBondContact OE2-NH2 2.96Å; R587-G589 PolarHBondContact O-N 2.61Å; R587-K597 VanDerWaalsContact CD-O 3.26Å; R587-K597 WeakPolarHBondContact CD-O 3.32Å; R587-K597 PolarHBondContact NH1-O 3.27Å; R587-G598 CarbonylContact C-O 3.5Å; R587-G598 WeakPolarHBondContact CA-O 3.37Å
588D94.4Very high88.1Confident16 Ų1662.6 Ų62.69%0.08634%0.338CS..  trans-69.7-34.6-173.8-70.8-22.8000112.4D590 R593 G598 V599 T600 K601D588-D590 PolarHBondContact O-N 2.96Å; D588-R593 IonicContact OD2-NH1 3.23Å; D588-R593 PolarHBondContact OD2-NH1 3.31Å; D588-G598 WeakPolarHBondContact CB-O 3.5Å; D588-G598 PolarHBondContact N-O 3.34Å; D588-G598 WeakPolarHBondContact OD2-CA 3.46Å; D588-V599 PolarHBondContact OD2-N 2.94Å; D588-T600 VanDerWaalsContact CG-N 3.32Å; D588-T600 PolarHBondContact OD1-N 3.3Å; D588-T600 PolarHBondContact OD1-OG1 2.74Å; D588-T600 VanDerWaalsContact OD1-OG1 3.08Å; D588-T600 WeakPolarHBondContact OD2-CB 3.32Å; D588-T600 PolarHBondContact OD2-N 2.87Å; D588-T600 PolarHBondContact OD2-OG1 2.96Å; D588-K601 PolarHBondContact O-NZ 2.93Å; D588-K601 WeakPolarHBondContact OD1-CG 3.39Å; D588-K601 PolarHBondContact OD1-N 2.82Å
589G93.4Very high89.7Confident56 Ų5659.2 Ų59.258%0.57732%0.317SS*.  trans79.1-2.7-177.900000114.5R587 K591 G596R587-G589 PolarHBondContact O-N 2.61Å; G589-K591 PolarHBondContact O-N 3.49Å; G589-G596 WeakPolarHBondContact CA-O 3.44Å; G589-G596 PolarHBondContact N-O 3.31Å
590D94.4Very high91.3Very high80 Ų8062 Ų6243%0.42833%0.332SS..  trans-76.799.8178.2178.35.8000111.4D588 S592 R593 G596D588-D590 PolarHBondContact O-N 2.96Å; D590-S592 PolarHBondContact O-N 3.11Å; D590-S592 VanDerWaalsContact OD1-CB 3.31Å; D590-S592 WeakPolarHBondContact OD1-CB 3.32Å; D590-S592 PolarHBondContact OD1-N 3.09Å; D590-S592 PolarHBondContact OD1-OG 3.3Å; D590-S592 PolarHBondContact OD2-OG 3.21Å; D590-R593 PolarHBondContact O-N 2.87Å; D590-G596 VanDerWaalsContact C-CA 3.5Å; D590-G596 WeakPolarHBondContact O-CA 3.44Å; D590-G596 PolarHBondContact O-N 2.81Å; D590-G596 VanDerWaalsContact O-N 3.09Å
591K94.4Very high92.6Very high178 Ų17862.5 Ų62.577%0.77432%0.321SS*.THydrogen-bonded Turntrans-57.4-19.9-179.5-66.7-171.7178.4-175.90114.1G589 R593G589-K591 PolarHBondContact O-N 3.49Å; K591-R593 VanDerWaalsContact C-N 3.28Å
592S95.1Very high93.5Very high104 Ų10458.3 Ų58.373%0.72731%0.305SS*.THydrogen-bonded Turntrans-75.3-17.1177.976.90000113.4D590D590-S592 PolarHBondContact O-N 3.11Å; D590-S592 VanDerWaalsContact OD1-CB 3.31Å; D590-S592 WeakPolarHBondContact OD1-CB 3.32Å; D590-S592 PolarHBondContact OD1-N 3.09Å; D590-S592 PolarHBondContact OD1-OG 3.3Å; D590-S592 PolarHBondContact OD2-OG 3.21Å
593R95.8Very high94.2Very high72 Ų7259.1 Ų59.127%0.27231%0.31SS..SBendtrans-126.8121.2-176.5-164.7176.9147.8-92.50.4111.1E546 D588 D590 K591 L595 G596 T600E546-R593 IonicContact OE1-CZ 3.36Å; E546-R593 IonicContact OE1-NH2 2.77Å; E546-R593 PolarHBondContact OE1-NH2 3.39Å; E546-R593 IonicContact OE2-CZ 3.3Å; E546-R593 IonicContact OE2-NH1 3.94Å; E546-R593 IonicContact OE2-NH2 2.79Å; E546-R593 PolarHBondContact OE2-NH2 2.84Å; D588-R593 IonicContact OD2-NH1 3.23Å; D588-R593 PolarHBondContact OD2-NH1 3.31Å; D590-R593 PolarHBondContact O-N 2.87Å; K591-R593 VanDerWaalsContact C-N 3.28Å; R593-L595 PolarHBondContact O-N 3.2Å; R593-G596 PolarHBondContact O-N 3.39Å; R593-T600 VanDerWaalsContact NH2-CG2 3.29Å
594F93.4Very high94.7Very high89 Ų8961.5 Ų61.539%0.3933%0.33SS..G310 helixtrans46.537.5-174.4-63.7-77.8000112.9E546 I548 P554 G596 K597E546-F594 WeakPolarHBondContact OE1-CE2 3.42Å; I548-F594 HydrophobicContact CD1-CE1 3.9Å; I548-F594 HydrophobicContact CD1-CZ 4.11Å; P554-F594 HydrophobicContact CB-CD2 4.33Å; P554-F594 HydrophobicContact CB-CE2 4.46Å; P554-F594 HydrophobicContact CB-CG 4.48Å; P554-F594 HydrophobicContact CG-CB 3.8Å; P554-F594 HydrophobicContact CG-CD1 4.15Å; P554-F594 HydrophobicContact CG-CD2 3.83Å; P554-F594 HydrophobicContact CG-CE2 4.42Å; P554-F594 HydrophobicContact CG-CG 3.68Å; F594-G596 PolarHBondContact O-N 2.9Å; F594-G596 VanDerWaalsContact O-N 3.13Å; F594-K597 VanDerWaalsContact O-CB 3.3Å; F594-K597 WeakPolarHBondContact O-CB 3.41Å; F594-K597 PolarHBondContact O-N 3.14Å
595L94.2Very high95.2Very high154 Ų15458.9 Ų58.981%0.80632%0.318SS*.G310 helixtrans55.729.9-179.9-50.3175000114.2R593R593-L595 PolarHBondContact O-N 3.2Å
596G93.6Very high95.6Very high11 Ų1157.4 Ų57.411%0.11331%0.311CS..G310 helixtrans94.2-6.8-177.400000114.7G589 D590 R593 F594G589-G596 WeakPolarHBondContact CA-O 3.44Å; G589-G596 PolarHBondContact N-O 3.31Å; D590-G596 VanDerWaalsContact C-CA 3.5Å; D590-G596 WeakPolarHBondContact O-CA 3.44Å; D590-G596 PolarHBondContact O-N 2.81Å; D590-G596 VanDerWaalsContact O-N 3.09Å; R593-G596 PolarHBondContact O-N 3.39Å; F594-G596 PolarHBondContact O-N 2.9Å; F594-G596 VanDerWaalsContact O-N 3.13Å
597K94.3Very high95.8Very high82 Ų8259.3 Ų59.336%0.35732%0.321SS..THydrogen-bonded Turntrans-89.6-1-173.6-61.2-176.9177.7-175.60114.9N553 P554 R587 F594N553-K597 HydrophobicContact CB-CD 4.26Å; N553-K597 WeakPolarHBondContact OD1-CD 3.41Å; N553-K597 PolarHBondContact OD1-NZ 2.69Å; P554-K597 VanDerWaalsContact CG-O 3.29Å; P554-K597 WeakPolarHBondContact CG-O 3.45Å; R587-K597 VanDerWaalsContact CD-O 3.26Å; R587-K597 WeakPolarHBondContact CD-O 3.32Å; R587-K597 PolarHBondContact NH1-O 3.27Å; F594-K597 VanDerWaalsContact O-CB 3.3Å; F594-K597 WeakPolarHBondContact O-CB 3.41Å; F594-K597 PolarHBondContact O-N 3.14Å
598G96Very high96Very high0 Ų057.3 Ų57.30%032%0.319CS..  trans-48.3153.6175.600000113.1R587 D588R587-G598 CarbonylContact C-O 3.5Å; R587-G598 WeakPolarHBondContact CA-O 3.37Å; D588-G598 WeakPolarHBondContact CB-O 3.5Å; D588-G598 PolarHBondContact N-O 3.34Å; D588-G598 WeakPolarHBondContact OD2-CA 3.46Å
599V97Very high96.2Very high0 Ų058.9 Ų58.90%033%0.33CS..  trans-126.327.4-178-63.20000112.6E546 P554 V556 D588 K601 A602 V603E546-V599 HydrophobicContact CB-CG2 4.23Å; E546-V599 HydrophobicContact CG-CG2 3.61Å; E546-V599 WeakPolarHBondContact OE2-CG2 3.34Å; E546-V599 PolarHBondContact OE2-N 3.26Å; P554-V599 HydrophobicContact CB-CG2 4.36Å; V556-V599 HydrophobicContact CG2-CB 4.11Å; V556-V599 HydrophobicContact CG2-CG2 3.92Å; D588-V599 PolarHBondContact OD2-N 2.94Å; V599-K601 PolarHBondContact O-N 2.85Å; V599-A602 HydrophobicContact CB-CB 4.23Å; V599-A602 WeakPolarHBondContact O-CB 3.48Å; V599-A602 PolarHBondContact O-N 3.47Å; V599-A602 VanDerWaalsContact O-N 3.08Å; V599-V603 HydrophobicContact CG2-CG2 4.33Å; V599-V603 WeakPolarHBondContact O-CG2 3.4Å; V599-V603 PolarHBondContact O-N 2.89Å
600T97.3Very high96.4Very high68 Ų6856.2 Ų56.242%0.41730%0.302SS..Hα-helixtrans-61-32.9-178.256.80000112.7D588 R593 V603 A604D588-T600 VanDerWaalsContact CG-N 3.32Å; D588-T600 PolarHBondContact OD1-N 3.3Å; D588-T600 PolarHBondContact OD1-OG1 2.74Å; D588-T600 VanDerWaalsContact OD1-OG1 3.08Å; D588-T600 WeakPolarHBondContact OD2-CB 3.32Å; D588-T600 PolarHBondContact OD2-N 2.87Å; D588-T600 PolarHBondContact OD2-OG1 2.96Å; R593-T600 VanDerWaalsContact NH2-CG2 3.29Å; T600-V603 PolarHBondContact O-N 3.29Å; T600-A604 VanDerWaalsContact O-CB 3.31Å; T600-A604 WeakPolarHBondContact O-CB 3.29Å; T600-A604 PolarHBondContact O-N 3.42Å
601K97.3Very high96.5Very high114 Ų11452.8 Ų52.850%0.49629%0.285SS..Hα-helixtrans-64.8-42.7173.5-68.4172.8-176.3165.30112.5L586 D588 V599 A604 A605L586-K601 HydrophobicContact CD2-CB 3.84Å; L586-K601 HydrophobicContact CG-CB 4.1Å; D588-K601 PolarHBondContact O-NZ 2.93Å; D588-K601 WeakPolarHBondContact OD1-CG 3.39Å; D588-K601 PolarHBondContact OD1-N 2.82Å; V599-K601 PolarHBondContact O-N 2.85Å; K601-A604 PolarHBondContact O-N 3.03Å; K601-A605 PolarHBondContact O-N 3.16Å
602A97.3Very high96.7Very high0 Ų051.8 Ų51.80%028%0.283CS..Hα-helixtrans-64.9-43.7176.100000110.8V556 L586 V599 A604 A605 V606 A645V556-A602 HydrophobicContact CG2-CB 3.72Å; L586-A602 HydrophobicContact CB-CB 4.12Å; L586-A602 HydrophobicContact CD2-CB 4.49Å; V599-A602 HydrophobicContact CB-CB 4.23Å; V599-A602 WeakPolarHBondContact O-CB 3.48Å; V599-A602 PolarHBondContact O-N 3.47Å; V599-A602 VanDerWaalsContact O-N 3.08Å; A602-A604 VanDerWaalsContact C-N 3.3Å; A602-A604 PolarHBondContact O-N 3.25Å; A602-A605 WeakPolarHBondContact O-CB 3.43Å; A602-A605 PolarHBondContact O-N 2.95Å; A602-A605 VanDerWaalsContact O-N 3.09Å; A602-V606 PolarHBondContact O-N 2.97Å; A602-A645 HydrophobicContact CB-CB 4.27Å
603V98.2Very high96.7Very high20 Ų2048.2 Ų48.212%0.12126%0.26CS..Hα-helixtrans-61.5-38.5174.5171.70000111.7G544 E546 V556 V599 T600 A605 V606 N607G544-V603 WeakPolarHBondContact O-CG1 3.15Å; E546-V603 HydrophobicContact CB-CG2 4.11Å; V556-V603 HydrophobicContact CG2-CG2 4.17Å; V599-V603 HydrophobicContact CG2-CG2 4.33Å; V599-V603 WeakPolarHBondContact O-CG2 3.4Å; V599-V603 PolarHBondContact O-N 2.89Å; T600-V603 PolarHBondContact O-N 3.29Å; V603-A605 VanDerWaalsContact C-N 3.33Å; V603-V606 PolarHBondContact O-N 2.85Å; V603-N607 VanDerWaalsContact CG1-ND2 3.34Å; V603-N607 WeakPolarHBondContact CG1-ND2 3.44Å; V603-N607 WeakPolarHBondContact O-CB 3.46Å; V603-N607 PolarHBondContact O-N 2.81Å; V603-N607 PolarHBondContact O-ND2 3.36Å
604A98.1Very high96.8Very high59 Ų5944.9 Ų44.949%0.48825%0.248SC..Hα-helixtrans-67.4-33.6174.600000112.2T600 K601 A602 G608T600-A604 VanDerWaalsContact O-CB 3.31Å; T600-A604 WeakPolarHBondContact O-CB 3.29Å; T600-A604 PolarHBondContact O-N 3.42Å; K601-A604 PolarHBondContact O-N 3.03Å; A602-A604 VanDerWaalsContact C-N 3.3Å; A602-A604 PolarHBondContact O-N 3.25Å; A604-G608 WeakPolarHBondContact O-CA 3.42Å; A604-G608 PolarHBondContact O-N 2.96Å
605A97.9Very high96.8Very high8 Ų844.8 Ų44.87%0.06625%0.251CS..Hα-helixtrans-63.7-43.9173.200000111.6K601 A602 V603 G608 P609 I610 F641K601-A605 PolarHBondContact O-N 3.16Å; A602-A605 WeakPolarHBondContact O-CB 3.43Å; A602-A605 PolarHBondContact O-N 2.95Å; A602-A605 VanDerWaalsContact O-N 3.09Å; V603-A605 VanDerWaalsContact C-N 3.33Å; A605-G608 PolarHBondContact O-N 2.74Å; A605-P609 VanDerWaalsContact O-CD 3.26Å; A605-P609 WeakPolarHBondContact O-CD 3.5Å; A605-P609 WeakPolarHBondContact O-CG 3.46Å; A605-I610 HydrophobicContact CB-CD1 4.41Å; A605-I610 WeakPolarHBondContact O-CB 3.38Å; A605-I610 WeakPolarHBondContact O-CG1 3.32Å; A605-I610 PolarHBondContact O-N 3.29Å; A605-F641 HydrophobicContact CB-CB 3.92Å; A605-F641 HydrophobicContact CB-CD1 3.71Å; A605-F641 HydrophobicContact CB-CG 4.01Å
606V98.4Very high96.4Very high0 Ų039.6 Ų39.60%023%0.234CC..Iπ-helixtrans-60.5-53.5175177.60000111I542 G544 V556 A558 A602 V603 G608 A611 A645 V649I542-V606 HydrophobicContact CG2-CG1 3.79Å; G544-V606 VanDerWaalsContact CA-CG1 3.47Å; V556-V606 HydrophobicContact CG1-CG2 4.15Å; A558-V606 HydrophobicContact CB-CG1 4.36Å; A602-V606 PolarHBondContact O-N 2.97Å; V603-V606 PolarHBondContact O-N 2.85Å; V606-G608 PolarHBondContact O-N 2.8Å; V606-A611 VanDerWaalsContact O-CB 3.28Å; V606-A611 WeakPolarHBondContact O-CB 3.32Å; V606-A611 PolarHBondContact O-N 2.79Å; V606-A611 VanDerWaalsContact O-N 3.08Å; V606-A645 HydrophobicContact CG2-CB 3.7Å; V606-V649 HydrophobicContact CB-CG2 4.37Å; V606-V649 HydrophobicContact CG1-CG2 3.66Å; V606-V649 HydrophobicContact CG2-CG2 3.94Å
607N98.3Very high96.3Very high76 Ų7643.7 Ų43.741%0.40625%0.248SC..Iπ-helixtrans-73.7-10.2-175.9-71.5-53.9000114.5G544 V603G544-N607 PolarHBondContact N-OD1 2.9Å; G544-N607 PolarHBondContact O-ND2 2.81Å; V603-N607 VanDerWaalsContact CG1-ND2 3.34Å; V603-N607 WeakPolarHBondContact CG1-ND2 3.44Å; V603-N607 WeakPolarHBondContact O-CB 3.46Å; V603-N607 PolarHBondContact O-N 2.81Å; V603-N607 PolarHBondContact O-ND2 3.36Å
608G97.6Very high96Very high16 Ų1643 Ų4317%0.16525%0.249CC..Iπ-helixtrans-116.1-103.1-176.200000111.6A604 A605 V606 I610 A611 Q612A604-G608 WeakPolarHBondContact O-CA 3.42Å; A604-G608 PolarHBondContact O-N 2.96Å; A605-G608 PolarHBondContact O-N 2.74Å; V606-G608 PolarHBondContact O-N 2.8Å; G608-I610 VanDerWaalsContact C-N 3.32Å; G608-I610 PolarHBondContact O-N 3.35Å; G608-A611 PolarHBondContact O-N 3.43Å; G608-Q612 WeakPolarHBondContact O-CB 3.17Å; G608-Q612 VanDerWaalsContact O-CG 3.3Å; G608-Q612 WeakPolarHBondContact O-CG 3.44Å; G608-Q612 PolarHBondContact O-N 2.59Å
609P97.6Very high95.8Very high49 Ų4943 Ų4332%0.31825%0.249SC..Iπ-helixtrans-59.1-38.2-171.823.3-34.3000113.7A605 A613 L632 F641A605-P609 VanDerWaalsContact O-CD 3.26Å; A605-P609 WeakPolarHBondContact O-CD 3.5Å; A605-P609 WeakPolarHBondContact O-CG 3.46Å; P609-A613 WeakPolarHBondContact O-CB 3.3Å; P609-A613 PolarHBondContact O-N 2.85Å; P609-A613 VanDerWaalsContact O-N 3.1Å; P609-L632 HydrophobicContact CB-CD2 4.16Å; P609-L632 WeakPolarHBondContact O-CD2 3.41Å; P609-F641 HydrophobicContact CB-CE1 4.18Å; P609-F641 HydrophobicContact CB-CZ 3.93Å; P609-F641 HydrophobicContact CG-CD1 4.4Å; P609-F641 HydrophobicContact CG-CE1 3.66Å; P609-F641 HydrophobicContact CG-CZ 3.89Å
610I98.1Very high95.4Very high0 Ų045.7 Ų45.70%026%0.26CS..Iπ-helixtrans-68-52179.3-64.7173.5000110.2A605 G608 Q612 A613 L614 M629 F641 A645 V649A605-I610 HydrophobicContact CB-CD1 4.41Å; A605-I610 WeakPolarHBondContact O-CB 3.38Å; A605-I610 WeakPolarHBondContact O-CG1 3.32Å; A605-I610 PolarHBondContact O-N 3.29Å; G608-I610 VanDerWaalsContact C-N 3.32Å; G608-I610 PolarHBondContact O-N 3.35Å; I610-Q612 VanDerWaalsContact C-N 3.3Å; I610-Q612 PolarHBondContact O-N 2.95Å; I610-A613 PolarHBondContact O-N 3.37Å; I610-A613 VanDerWaalsContact O-N 3.13Å; I610-L614 HydrophobicContact CG2-CD1 3.77Å; I610-L614 HydrophobicContact CG2-CG 4.31Å; I610-L614 WeakPolarHBondContact O-CG 3.48Å; I610-L614 PolarHBondContact O-N 3.16Å; I610-L614 VanDerWaalsContact O-N 3.08Å; I610-M629 HydrophobicContact CG2-CG 4.07Å; I610-M629 HydrophobicContact CG2-SD 3.84Å; I610-F641 HydrophobicContact CD1-CB 4.33Å; I610-F641 HydrophobicContact CD1-CD2 4.12Å; I610-F641 HydrophobicContact CD1-CG 4.36Å; I610-F641 HydrophobicContact CG1-CD2 4.06Å; I610-F641 HydrophobicContact CG1-CE2 4.25Å; I610-A645 HydrophobicContact CD1-CB 4.23Å; I610-V649 HydrophobicContact CG2-CB 4.48Å; I610-V649 HydrophobicContact CG2-CG1 4.08Å; I610-V649 HydrophobicContact CG2-CG2 4.16Å
611A97.5Very high95.2Very high9 Ų946.8 Ų46.87%0.07426%0.264CS..Hα-helixtrans-54.1-46.6175.900000112.1I542 V606 G608 A613 L614 I615I542-A611 HydrophobicContact CB-CB 4.03Å; V606-A611 VanDerWaalsContact O-CB 3.28Å; V606-A611 WeakPolarHBondContact O-CB 3.32Å; V606-A611 PolarHBondContact O-N 2.79Å; V606-A611 VanDerWaalsContact O-N 3.08Å; G608-A611 PolarHBondContact O-N 3.43Å; A611-A613 VanDerWaalsContact C-N 3.29Å; A611-A613 PolarHBondContact O-N 2.8Å; A611-L614 PolarHBondContact O-N 3Å; A611-I615 WeakPolarHBondContact O-CD1 3.23Å; A611-I615 WeakPolarHBondContact O-CG1 3.19Å; A611-I615 PolarHBondContact O-N 2.89Å
612Q97.2Very high95.2Very high156 Ų15641.5 Ų41.573%0.72924%0.241SC*.Hα-helixtrans-61.3-36.1179.5-73.8173.63.600113.1G608 I610G608-Q612 WeakPolarHBondContact O-CB 3.17Å; G608-Q612 VanDerWaalsContact O-CG 3.3Å; G608-Q612 WeakPolarHBondContact O-CG 3.44Å; G608-Q612 PolarHBondContact O-N 2.59Å; I610-Q612 VanDerWaalsContact C-N 3.3Å; I610-Q612 PolarHBondContact O-N 2.95Å
613A96.9Very high95.2Very high30 Ų3044 Ų4425%0.24826%0.262CS..Hα-helixtrans-78.1-28.9-17900000113.4P609 I610 A611 I628 L632P609-A613 WeakPolarHBondContact O-CB 3.3Å; P609-A613 PolarHBondContact O-N 2.85Å; P609-A613 VanDerWaalsContact O-N 3.1Å; I610-A613 PolarHBondContact O-N 3.37Å; I610-A613 VanDerWaalsContact O-N 3.13Å; A611-A613 VanDerWaalsContact C-N 3.29Å; A611-A613 PolarHBondContact O-N 2.8Å; A613-I628 HydrophobicContact CB-CG2 3.88Å; A613-L632 HydrophobicContact CB-CD2 3.82Å
614L97.4Very high95.1Very high1 Ų144 Ų441%0.00527%0.265CS..Hα-helixtrans-97.9-21-173.1-62.7-173.3000114.3I539 I542 I610 A611 G616 K617 I625 I628 M629 V649I539-L614 HydrophobicContact CD1-CB 4.13Å; I542-L614 HydrophobicContact CD1-CB 3.66Å; I542-L614 HydrophobicContact CD1-CD1 3.68Å; I542-L614 HydrophobicContact CD1-CG 4.26Å; I610-L614 HydrophobicContact CG2-CD1 3.77Å; I610-L614 HydrophobicContact CG2-CG 4.31Å; I610-L614 WeakPolarHBondContact O-CG 3.48Å; I610-L614 PolarHBondContact O-N 3.16Å; I610-L614 VanDerWaalsContact O-N 3.08Å; A611-L614 PolarHBondContact O-N 3Å; L614-G616 PolarHBondContact O-N 3.42Å; L614-K617 VanDerWaalsContact O-CB 3.24Å; L614-K617 WeakPolarHBondContact O-CB 3.22Å; L614-K617 VanDerWaalsContact O-CG 3.28Å; L614-K617 WeakPolarHBondContact O-CG 3.48Å; L614-K617 PolarHBondContact O-N 2.98Å; L614-I625 HydrophobicContact CD1-CG2 3.94Å; L614-I625 HydrophobicContact CD2-CD1 3.91Å; L614-I625 HydrophobicContact CD2-CG2 4.1Å; L614-I628 HydrophobicContact CD2-CB 3.97Å; L614-I628 HydrophobicContact CD2-CD1 4.25Å; L614-I628 HydrophobicContact CD2-CG2 3.73Å; L614-M629 HydrophobicContact CD1-CG 3.91Å; L614-M629 HydrophobicContact CD1-SD 3.86Å; L614-M629 HydrophobicContact CD2-CG 4.34Å; L614-M629 HydrophobicContact CG-CG 4.44Å; L614-V649 HydrophobicContact CD1-CG1 3.74Å
615I93.5Very high95.1Very high88 Ų8841.3 Ų41.345%0.45124%0.243SC..THydrogen-bonded Turntrans-57131.9174.8-73.4163.1000110.3I539 A611 K617I539-I615 CarbonylContact O-C 3.47Å; I539-I615 WeakPolarHBondContact O-CA 3.43Å; A611-I615 WeakPolarHBondContact O-CD1 3.23Å; A611-I615 WeakPolarHBondContact O-CG1 3.19Å; A611-I615 PolarHBondContact O-N 2.89Å; I615-K617 VanDerWaalsContact C-N 3.31Å
616G84.2Confident95.1Very high44 Ų4441 Ų4145%0.45424%0.24SC..THydrogen-bonded Turntrans83.4-4.5-177.200000114.9I539 L614I539-G616 PolarHBondContact O-N 3.16Å; L614-G616 PolarHBondContact O-N 3.42Å
617K91.2Very high95.1Very high97 Ų9746.7 Ų46.742%0.42227%0.265SS..SBendtrans-81149.3173.1-55.4-59179.6-177.40110.6K538 I539 L614 I615 A619 I625 I628K538-K617 CarbonylContact C-O 3.59Å; K538-K617 VanDerWaalsContact CA-O 3.32Å; K538-K617 WeakPolarHBondContact CA-O 3.42Å; I539-K617 PolarHBondContact N-O 3.37Å; L614-K617 VanDerWaalsContact O-CB 3.24Å; L614-K617 WeakPolarHBondContact O-CB 3.22Å; L614-K617 VanDerWaalsContact O-CG 3.28Å; L614-K617 WeakPolarHBondContact O-CG 3.48Å; L614-K617 PolarHBondContact O-N 2.98Å; I615-K617 VanDerWaalsContact C-N 3.31Å; K617-A619 PolarHBondContact O-N 3.28Å; K617-I625 HydrophobicContact CB-CD1 3.47Å; K617-I625 VanDerWaalsContact CB-CD1 3.47Å; K617-I625 HydrophobicContact CG-CD1 4.24Å; K617-I628 HydrophobicContact CD-CD1 4.12Å; K617-I628 HydrophobicContact CG-CD1 4.12Å
618D88Confident95.1Very high68 Ų6845.4 Ų45.436%0.36426%0.258SS..BIsolated β-bridgetrans-76.6118.8176.1-175.3-2.1000110.2S537 K620 D621S537-D618 WeakPolarHBondContact CB-OD1 3.42Å; S537-D618 PolarHBondContact OG-OD1 3.44Å; D618-K620 PolarHBondContact O-N 3.47Å; D618-K620 WeakPolarHBondContact OD1-CB 3.48Å; D618-K620 PolarHBondContact OD1-N 3.3Å; D618-D621 PolarHBondContact O-N 2.92Å; D618-D621 VanDerWaalsContact O-N 3.16Å
619A93.4Very high95.1Very high0 Ų044.7 Ų44.70%025%0.25CC..THydrogen-bonded Turntrans-63.1-21.2178.600000113.4S537 I539 L562 K617 D621 N653 A657S537-A619 VanDerWaalsContact O-CB 3.29Å; S537-A619 WeakPolarHBondContact O-CB 3.15Å; S537-A619 PolarHBondContact O-N 2.97Å; I539-A619 HydrophobicContact CG1-CB 4.03Å; L562-A619 HydrophobicContact CD1-CB 3.83Å; L562-A619 HydrophobicContact CD2-CB 3.41Å; L562-A619 VanDerWaalsContact CD2-CB 3.41Å; L562-A619 HydrophobicContact CG-CB 4.29Å; K617-A619 PolarHBondContact O-N 3.28Å; A619-D621 PolarHBondContact O-N 3.34Å; A619-N653 WeakPolarHBondContact CA-OD1 3.35Å; A619-N653 WeakPolarHBondContact CB-OD1 3.32Å; A619-N653 PolarHBondContact O-ND2 2.97Å; A619-A657 HydrophobicContact CB-CB 4.27Å; A619-A657 WeakPolarHBondContact O-CB 3.19Å
620K89Confident95.1Very high56 Ų5644.4 Ų44.424%0.24325%0.245CC..THydrogen-bonded Turntrans-69.3-21.3177-65.7170.6-179.7159.50112.7N534 D618 Q622N534-K620 PolarHBondContact OD1-NZ 2.82Å; D618-K620 PolarHBondContact O-N 3.47Å; D618-K620 WeakPolarHBondContact OD1-CB 3.48Å; D618-K620 PolarHBondContact OD1-N 3.3Å; K620-Q622 VanDerWaalsContact C-N 3.34Å; K620-Q622 PolarHBondContact O-N 2.92Å
621D92.3Very high95Very high92 Ų9249 Ų4949%0.49227%0.27SS..  trans-87.369175-177.814.7000111.3D618 A619 A623 G624 I625D618-D621 PolarHBondContact O-N 2.92Å; D618-D621 VanDerWaalsContact O-N 3.16Å; A619-D621 PolarHBondContact O-N 3.34Å; D621-A623 VanDerWaalsContact C-N 3.26Å; D621-A623 PolarHBondContact O-N 3.37Å; D621-G624 PolarHBondContact O-N 3.24Å; D621-G624 VanDerWaalsContact O-N 3.16Å; D621-G624 PolarHBondContact OD1-N 3.33Å; D621-G624 WeakPolarHBondContact OD2-CA 3.26Å; D621-I625 WeakPolarHBondContact O-CG1 3.34Å; D621-I625 PolarHBondContact O-N 2.81Å
622Q97.6Very high95Very high3 Ų351.5 Ų51.51%0.01428%0.281CS..Hα-helixtrans-54.5-41.8-177.5-174.766.743.800112.6K620 I625 D626 S650 N653 L672 L884K620-Q622 VanDerWaalsContact C-N 3.34Å; K620-Q622 PolarHBondContact O-N 2.92Å; Q622-I625 PolarHBondContact O-N 2.91Å; Q622-D626 PolarHBondContact NE2-OD1 3.46Å; Q622-D626 VanDerWaalsContact NE2-OD1 3.1Å; Q622-D626 PolarHBondContact NE2-OD2 3.27Å; Q622-D626 WeakPolarHBondContact O-CB 3.49Å; Q622-D626 PolarHBondContact O-N 3.14Å; Q622-S650 PolarHBondContact NE2-O 3.16Å; Q622-S650 PolarHBondContact NE2-OG 2.95Å; Q622-N653 PolarHBondContact OE1-ND2 2.97Å; Q622-L672 HydrophobicContact CB-CD1 4.02Å; Q622-L672 HydrophobicContact CB-CD2 3.74Å; Q622-L672 HydrophobicContact CG-CD1 3.97Å; Q622-L884 HydrophobicContact CG-CD2 4.42Å
623A97.1Very high94.9Very high53 Ų5344.2 Ų44.244%0.43825%0.248SC..Hα-helixtrans-67.5-40.9-179.100000111.7D621 K627 T885D621-A623 VanDerWaalsContact C-N 3.26Å; D621-A623 PolarHBondContact O-N 3.37Å; A623-K627 WeakPolarHBondContact O-CB 3.13Å; A623-K627 PolarHBondContact O-N 3.04Å; A623-T885 HydrophobicContact CB-CG2 4.22Å
624G96.5Very high94.8Very high19 Ų1945.8 Ų45.820%0.19627%0.266CS..Hα-helixtrans-63.2-43.9173.600000112.6D621 K627 I628D621-G624 PolarHBondContact O-N 3.24Å; D621-G624 VanDerWaalsContact O-N 3.16Å; D621-G624 PolarHBondContact OD1-N 3.33Å; D621-G624 WeakPolarHBondContact OD2-CA 3.26Å; G624-K627 PolarHBondContact O-N 3.1Å; G624-I628 WeakPolarHBondContact O-CD1 3.4Å; G624-I628 VanDerWaalsContact O-CG1 3.26Å; G624-I628 WeakPolarHBondContact O-CG1 3.44Å; G624-I628 PolarHBondContact O-N 3.12Å
625I98.1Very high94.6Very high3 Ų348 Ų482%0.01528%0.28CS..Hα-helixtrans-60.9-51.5176.8-66.2-64.8000111.3I539 L614 K617 D621 Q622 K627 I628 M629 N653I539-I625 HydrophobicContact CD1-CD1 3.59Å; I539-I625 HydrophobicContact CD1-CG1 4.44Å; L614-I625 HydrophobicContact CD1-CG2 3.94Å; L614-I625 HydrophobicContact CD2-CD1 3.91Å; L614-I625 HydrophobicContact CD2-CG2 4.1Å; K617-I625 HydrophobicContact CB-CD1 3.47Å; K617-I625 VanDerWaalsContact CB-CD1 3.47Å; K617-I625 HydrophobicContact CG-CD1 4.24Å; D621-I625 WeakPolarHBondContact O-CG1 3.34Å; D621-I625 PolarHBondContact O-N 2.81Å; Q622-I625 PolarHBondContact O-N 2.91Å; I625-K627 VanDerWaalsContact C-N 3.32Å; I625-K627 PolarHBondContact O-N 3.3Å; I625-I628 PolarHBondContact O-N 3.49Å; I625-M629 HydrophobicContact CG2-CE 4.05Å; I625-M629 PolarHBondContact O-N 2.87Å; I625-N653 HydrophobicContact CG2-CB 4.35Å
626D98.1Very high94.4Very high1 Ų151 Ų511%0.00529%0.292CS..Hα-helixtrans-61.3-42.5179.3-73.6-15.5000111.1Q622 I628 M629 I630 S650 T885Q622-D626 PolarHBondContact NE2-OD1 3.46Å; Q622-D626 VanDerWaalsContact NE2-OD1 3.1Å; Q622-D626 PolarHBondContact NE2-OD2 3.27Å; Q622-D626 WeakPolarHBondContact O-CB 3.49Å; Q622-D626 PolarHBondContact O-N 3.14Å; D626-I628 PolarHBondContact O-N 3.14Å; D626-M629 PolarHBondContact O-N 2.88Å; D626-M629 WeakPolarHBondContact OD1-CE 3.29Å; D626-I630 WeakPolarHBondContact O-CD1 3.44Å; D626-I630 VanDerWaalsContact O-CG1 3.26Å; D626-I630 WeakPolarHBondContact O-CG1 3.38Å; D626-I630 PolarHBondContact O-N 3.09Å; D626-S650 VanDerWaalsContact CG-OG 3.23Å; D626-S650 WeakPolarHBondContact OD1-CB 3.47Å; D626-S650 PolarHBondContact OD1-OG 3.34Å; D626-S650 PolarHBondContact OD2-OG 3.08Å; D626-T885 WeakPolarHBondContact OD2-CB 3.46Å; D626-T885 PolarHBondContact OD2-N 3.3Å; D626-T885 PolarHBondContact OD2-OG1 3.25Å
627K97.7Very high94.6Very high119 Ų11951.7 Ų51.752%0.51729%0.285SS..Hα-helixtrans-60.4-44177.6179.1164.9177.346.50112.5A623 G624 I625 M629 I630 D631A623-K627 WeakPolarHBondContact O-CB 3.13Å; A623-K627 PolarHBondContact O-N 3.04Å; G624-K627 PolarHBondContact O-N 3.1Å; I625-K627 VanDerWaalsContact C-N 3.32Å; I625-K627 PolarHBondContact O-N 3.3Å; K627-M629 VanDerWaalsContact C-N 3.3Å; K627-M629 PolarHBondContact O-N 2.78Å; K627-I630 PolarHBondContact O-N 3.08Å; K627-D631 WeakPolarHBondContact CE-OD2 3.36Å; K627-D631 WeakPolarHBondContact CG-OD2 3.25Å; K627-D631 IonicContact NZ-OD1 2.8Å; K627-D631 PolarHBondContact NZ-OD1 3.07Å; K627-D631 IonicContact NZ-OD2 3.9Å; K627-D631 PolarHBondContact NZ-OD2 2.87Å; K627-D631 WeakPolarHBondContact O-CB 3.49Å; K627-D631 VanDerWaalsContact O-CG 3.25Å; K627-D631 PolarHBondContact O-N 3.42Å
628I98Very high94.7Very high50 Ų5047.2 Ų47.226%0.25627%0.266SS..Hα-helixtrans-58.4-45.2176.9-70.5162.2000110.4A613 L614 K617 G624 I625 D626 L632A613-I628 HydrophobicContact CB-CG2 3.88Å; L614-I628 HydrophobicContact CD2-CB 3.97Å; L614-I628 HydrophobicContact CD2-CD1 4.25Å; L614-I628 HydrophobicContact CD2-CG2 3.73Å; K617-I628 HydrophobicContact CD-CD1 4.12Å; K617-I628 HydrophobicContact CG-CD1 4.12Å; G624-I628 WeakPolarHBondContact O-CD1 3.4Å; G624-I628 VanDerWaalsContact O-CG1 3.26Å; G624-I628 WeakPolarHBondContact O-CG1 3.44Å; G624-I628 PolarHBondContact O-N 3.12Å; I625-I628 PolarHBondContact O-N 3.49Å; D626-I628 PolarHBondContact O-N 3.14Å; I628-L632 WeakPolarHBondContact O-CB 3.46Å; I628-L632 PolarHBondContact O-N 3.32Å
629M98.1Very high95Very high1 Ų146.3 Ų46.31%0.00527%0.265CS..Hα-helixtrans-65.4-44.2179.6-66.7-171.8-71.400112.4I610 L614 I625 D626 K627 L632 D633 I646 V649I610-M629 HydrophobicContact CG2-CG 4.07Å; I610-M629 HydrophobicContact CG2-SD 3.84Å; L614-M629 HydrophobicContact CD1-CG 3.91Å; L614-M629 HydrophobicContact CD1-SD 3.86Å; L614-M629 HydrophobicContact CD2-CG 4.34Å; L614-M629 HydrophobicContact CG-CG 4.44Å; I625-M629 HydrophobicContact CG2-CE 4.05Å; I625-M629 PolarHBondContact O-N 2.87Å; D626-M629 PolarHBondContact O-N 2.88Å; D626-M629 WeakPolarHBondContact OD1-CE 3.29Å; K627-M629 VanDerWaalsContact C-N 3.3Å; K627-M629 PolarHBondContact O-N 2.78Å; M629-L632 PolarHBondContact O-N 3.46Å; M629-D633 PolarHBondContact O-N 2.99Å; M629-I646 HydrophobicContact CB-CG1 4.46Å; M629-I646 HydrophobicContact CB-CG2 4.02Å; M629-I646 HydrophobicContact CE-CG2 4.09Å; M629-I646 HydrophobicContact SD-CG2 4.29Å; M629-V649 HydrophobicContact CE-CB 4.48Å; M629-V649 HydrophobicContact CE-CG1 4.29Å; M629-V649 HydrophobicContact SD-CB 3.77Å; M629-V649 HydrophobicContact SD-CG1 3.59Å; M629-V649 VanDerWaalsContact SD-CG1 3.59Å
630I96.6Very high95Very high42 Ų4251.9 Ų51.922%0.21529%0.289CS..Hα-helixtrans-63.1-47.6178.9-67.1162.7000110.8D626 K627 L632 D633 G634 E886D626-I630 WeakPolarHBondContact O-CD1 3.44Å; D626-I630 VanDerWaalsContact O-CG1 3.26Å; D626-I630 WeakPolarHBondContact O-CG1 3.38Å; D626-I630 PolarHBondContact O-N 3.09Å; K627-I630 PolarHBondContact O-N 3.08Å; I630-L632 VanDerWaalsContact C-N 3.29Å; I630-L632 PolarHBondContact O-N 2.98Å; I630-D633 PolarHBondContact O-N 2.84Å; I630-G634 PolarHBondContact O-N 3.27Å; I630-E886 HydrophobicContact CD1-CG 4.2Å; I630-E886 VanDerWaalsContact CD1-OE2 3.31Å; I630-E886 WeakPolarHBondContact CD1-OE2 3.43Å
631D97.1Very high95.3Very high97 Ų9749.8 Ų49.852%0.51928%0.28SS..Hα-helixtrans-65.6-34.7179.7-69.4-17000111.2K627 G634K627-D631 WeakPolarHBondContact CE-OD2 3.36Å; K627-D631 WeakPolarHBondContact CG-OD2 3.25Å; K627-D631 IonicContact NZ-OD1 2.8Å; K627-D631 PolarHBondContact NZ-OD1 3.07Å; K627-D631 IonicContact NZ-OD2 3.9Å; K627-D631 PolarHBondContact NZ-OD2 2.87Å; K627-D631 WeakPolarHBondContact O-CB 3.49Å; K627-D631 VanDerWaalsContact O-CG 3.25Å; K627-D631 PolarHBondContact O-N 3.42Å; D631-G634 PolarHBondContact O-N 3.26Å
632L96.2Very high95.4Very high61 Ų6145.4 Ų45.432%0.31926%0.256SS..Hα-helixtrans-72.6-34.1178.3-170.171.1000112.9P609 A613 I628 M629 I630 K640 F641P609-L632 HydrophobicContact CB-CD2 4.16Å; P609-L632 WeakPolarHBondContact O-CD2 3.41Å; A613-L632 HydrophobicContact CB-CD2 3.82Å; I628-L632 WeakPolarHBondContact O-CB 3.46Å; I628-L632 PolarHBondContact O-N 3.32Å; M629-L632 PolarHBondContact O-N 3.46Å; I630-L632 VanDerWaalsContact C-N 3.29Å; I630-L632 PolarHBondContact O-N 2.98Å; L632-K640 PolarHBondContact O-NZ 2.95Å; L632-F641 VanDerWaalsContact C-CE2 3.49Å; L632-F641 HydrophobicContact CB-CE2 3.88Å; L632-F641 HydrophobicContact CB-CZ 4.48Å; L632-F641 HydrophobicContact CD2-CE2 3.72Å; L632-F641 HydrophobicContact CD2-CZ 3.93Å; L632-F641 HydrophobicContact CG-CE2 3.58Å; L632-F641 HydrophobicContact CG-CZ 3.74Å
633D96.7Very high95.2Very high4 Ų445.3 Ų45.32%0.02126%0.256CS..Hα-helixtrans-64.5-51.8168.6-176.8-75.2000109.8M629 I630 T635 K638 K640 F641 I646M629-D633 PolarHBondContact O-N 2.99Å; I630-D633 PolarHBondContact O-N 2.84Å; D633-T635 PolarHBondContact O-N 3.32Å; D633-T635 WeakPolarHBondContact OD1-CB 3.46Å; D633-T635 PolarHBondContact OD1-N 3.32Å; D633-T635 PolarHBondContact OD1-OG1 3.08Å; D633-K638 WeakPolarHBondContact OD1-CA 3.24Å; D633-K638 VanDerWaalsContact OD2-C 3.29Å; D633-K640 WeakPolarHBondContact O-CD 3.28Å; D633-K640 WeakPolarHBondContact OD2-CB 3.26Å; D633-K640 PolarHBondContact OD2-N 2.85Å; D633-K640 VanDerWaalsContact OD2-N 3.16Å; D633-F641 HydrophobicContact CB-CD2 3.76Å; D633-F641 HydrophobicContact CB-CE2 4.21Å; D633-F641 HydrophobicContact CB-CG 4.39Å; D633-F641 PolarHBondContact OD2-N 3.03Å; D633-I646 HydrophobicContact CB-CD1 3.98Å
634G94.4Very high95.1Very high62 Ų6242.8 Ų42.864%0.63924%0.236SC*.  trans73.78.6173.200000114.9I630 D631I630-G634 PolarHBondContact O-N 3.27Å; D631-G634 PolarHBondContact O-N 3.26Å
635T93.8Very high95.2Very high47 Ų4741.9 Ų41.929%0.28823%0.226SC..SBendtrans-111.1148.6174.373.80000111.1D633 N637 K638 S639 K640D633-T635 PolarHBondContact O-N 3.32Å; D633-T635 WeakPolarHBondContact OD1-CB 3.46Å; D633-T635 PolarHBondContact OD1-N 3.32Å; D633-T635 PolarHBondContact OD1-OG1 3.08Å; T635-N637 VanDerWaalsContact C-N 3.26Å; T635-N637 PolarHBondContact O-N 3.03Å; T635-N637 PolarHBondContact OG1-OD1 2.96Å; T635-K638 PolarHBondContact O-N 3.23Å; T635-K638 WeakPolarHBondContact OG1-CA 3.32Å; T635-K638 PolarHBondContact OG1-N 2.89Å; T635-K638 VanDerWaalsContact OG1-N 3.07Å; T635-S639 PolarHBondContact OG1-N 2.85Å; T635-S639 PolarHBondContact OG1-OG 3.16Å; T635-K640 HydrophobicContact CG2-CB 4.17Å
636E88.1Confident95.2Very high152 Ų15241.8 Ų41.871%0.7123%0.225SC*.THydrogen-bonded Turntrans-62.6-34.5-178.2-178.7165.8-151.100112.6K860E636-K860 IonicContact OE1-NZ 2.66Å; E636-K860 PolarHBondContact OE1-NZ 3.05Å
637N89.5Confident95.2Very high58 Ų5841.7 Ų41.731%0.3123%0.225SC..THydrogen-bonded Turntrans-104.413.6-176.563.9-5.9000113.6A583 L584 T635 S639A583-N637 CarbonylContact C-O 3.57Å; A583-N637 WeakPolarHBondContact CA-O 3.28Å; L584-N637 WeakPolarHBondContact CD1-ND2 3.44Å; L584-N637 HydrophobicContact CG-CB 4.42Å; L584-N637 PolarHBondContact N-O 3.25Å; T635-N637 VanDerWaalsContact C-N 3.26Å; T635-N637 PolarHBondContact O-N 3.03Å; T635-N637 PolarHBondContact OG1-OD1 2.96Å; N637-S639 PolarHBondContact O-N 3.39Å; N637-S639 WeakPolarHBondContact OD1-CB 3.32Å; N637-S639 PolarHBondContact OD1-N 3.43Å; N637-S639 PolarHBondContact OD1-OG 3.08Å
638K93.6Very high95.2Very high4 Ų436 Ų362%0.01720%0.201CC..  trans59.629.5177.9-58.2170171.274.80113.9A583 D633 T635 K640 G642 A643 I646 I881 E886A583-K638 HydrophobicContact CB-CD 4.21Å; D633-K638 WeakPolarHBondContact OD1-CA 3.24Å; D633-K638 VanDerWaalsContact OD2-C 3.29Å; T635-K638 PolarHBondContact O-N 3.23Å; T635-K638 WeakPolarHBondContact OG1-CA 3.32Å; T635-K638 PolarHBondContact OG1-N 2.89Å; T635-K638 VanDerWaalsContact OG1-N 3.07Å; K638-K640 VanDerWaalsContact C-N 3.33Å; K638-K640 PolarHBondContact O-N 2.79Å; K638-G642 CarbonylContact O-C 3.58Å; K638-G642 WeakPolarHBondContact O-CA 3.4Å; K638-G642 PolarHBondContact O-N 3.35Å; K638-A643 HydrophobicContact CB-CB 4.43Å; K638-I646 HydrophobicContact CB-CD1 3.99Å; K638-I646 HydrophobicContact CD-CD1 4.03Å; K638-I646 HydrophobicContact CG-CD1 3.9Å; K638-I881 VanDerWaalsContact CD-O 3.3Å; K638-I881 WeakPolarHBondContact CD-O 3.48Å; K638-I881 WeakPolarHBondContact CE-O 3.23Å; K638-I881 PolarHBondContact NZ-O 3.23Å; K638-E886 WeakPolarHBondContact CE-OE2 3.49Å; K638-E886 IonicContact NZ-OE1 3.88Å; K638-E886 PolarHBondContact NZ-OE1 3.28Å; K638-E886 IonicContact NZ-OE2 3.14Å; K638-E886 PolarHBondContact NZ-OE2 3.45Å
639S92.2Very high95.2Very high48 Ų4833.7 Ų33.734%0.33619%0.188SC..THydrogen-bonded Turntrans-74.6-15.3-172.854.60000114.9T635 N637T635-S639 PolarHBondContact OG1-N 2.85Å; T635-S639 PolarHBondContact OG1-OG 3.16Å; N637-S639 PolarHBondContact O-N 3.39Å; N637-S639 WeakPolarHBondContact OD1-CB 3.32Å; N637-S639 PolarHBondContact OD1-N 3.43Å; N637-S639 PolarHBondContact OD1-OG 3.08Å
640K94.9Very high95.2Very high117 Ų11733.6 Ų33.651%0.50919%0.188SC..THydrogen-bonded Turntrans-79.2-43.6-177.6-179.9-170.1174.7-170.10112.1L586 L632 D633 T635 K638L586-K640 WeakPolarHBondContact CD2-O 3.45Å; L632-K640 PolarHBondContact O-NZ 2.95Å; D633-K640 WeakPolarHBondContact O-CD 3.28Å; D633-K640 WeakPolarHBondContact OD2-CB 3.26Å; D633-K640 PolarHBondContact OD2-N 2.85Å; D633-K640 VanDerWaalsContact OD2-N 3.16Å; T635-K640 HydrophobicContact CG2-CB 4.17Å; K638-K640 VanDerWaalsContact C-N 3.33Å; K638-K640 PolarHBondContact O-N 2.79Å
641F95.2Very high95.3Very high12 Ų1231.7 Ų31.75%0.05318%0.178CC..THydrogen-bonded Turntrans-102.3-24.8176.3-62.6-28.1000112.6L586 A605 P609 I610 L632 D633 A645 I646L586-F641 WeakPolarHBondContact CD2-O 3.4Å; A605-F641 HydrophobicContact CB-CB 3.92Å; A605-F641 HydrophobicContact CB-CD1 3.71Å; A605-F641 HydrophobicContact CB-CG 4.01Å; P609-F641 HydrophobicContact CB-CE1 4.18Å; P609-F641 HydrophobicContact CB-CZ 3.93Å; P609-F641 HydrophobicContact CG-CD1 4.4Å; P609-F641 HydrophobicContact CG-CE1 3.66Å; P609-F641 HydrophobicContact CG-CZ 3.89Å; I610-F641 HydrophobicContact CD1-CB 4.33Å; I610-F641 HydrophobicContact CD1-CD2 4.12Å; I610-F641 HydrophobicContact CD1-CG 4.36Å; I610-F641 HydrophobicContact CG1-CD2 4.06Å; I610-F641 HydrophobicContact CG1-CE2 4.25Å; L632-F641 VanDerWaalsContact C-CE2 3.49Å; L632-F641 HydrophobicContact CB-CE2 3.88Å; L632-F641 HydrophobicContact CB-CZ 4.48Å; L632-F641 HydrophobicContact CD2-CE2 3.72Å; L632-F641 HydrophobicContact CD2-CZ 3.93Å; L632-F641 HydrophobicContact CG-CE2 3.58Å; L632-F641 HydrophobicContact CG-CZ 3.74Å; D633-F641 HydrophobicContact CB-CD2 3.76Å; D633-F641 HydrophobicContact CB-CE2 4.21Å; D633-F641 HydrophobicContact CB-CG 4.39Å; D633-F641 PolarHBondContact OD2-N 3.03Å; F641-A645 WeakPolarHBondContact O-CB 3.41Å; F641-I646 HydrophobicContact CB-CG1 4.46Å
642G93.6Very high95.4Very high0 Ų027.1 Ų27.10%015%0.154CC..  trans93.2136.2-17400000111.6L584 K638 N644 A645 I646L584-G642 WeakPolarHBondContact O-CA 3.47Å; K638-G642 CarbonylContact O-C 3.58Å; K638-G642 WeakPolarHBondContact O-CA 3.4Å; K638-G642 PolarHBondContact O-N 3.35Å; G642-N644 WeakPolarHBondContact CA-OD1 3.03Å; G642-N644 PolarHBondContact O-N 2.94Å; G642-A645 PolarHBondContact O-N 2.89Å; G642-A645 VanDerWaalsContact O-N 3.07Å; G642-I646 PolarHBondContact O-N 2.8Å
643A94Very high95.5Very high1 Ų124.2 Ų24.21%0.00814%0.138CC..Hα-helixtrans-56.3-33.4171.800000111.9A583 L584 K638 L647A583-A643 HydrophobicContact CB-CB 3.57Å; L584-A643 PolarHBondContact O-N 2.88Å; K638-A643 HydrophobicContact CB-CB 4.43Å; A643-L647 WeakPolarHBondContact O-CB 3.46Å; A643-L647 PolarHBondContact O-N 3.33Å
644N95.6Very high95.6Very high1 Ų124 Ų241%0.00514%0.138CC..Hα-helixtrans-64.3-37.5175.456.6-29.9000113.4V556 A572 E585 L586 G642 A648V556-N644 HydrophobicContact CG2-CB 4.32Å; V556-N644 WeakPolarHBondContact CG2-ND2 3.43Å; A572-N644 HydrophobicContact CB-CB 3.95Å; A572-N644 WeakPolarHBondContact CB-O 3.3Å; E585-N644 HydrophobicContact CG-CB 4.25Å; L586-N644 PolarHBondContact N-OD1 3.17Å; L586-N644 VanDerWaalsContact N-OD1 3.08Å; G642-N644 WeakPolarHBondContact CA-OD1 3.03Å; G642-N644 PolarHBondContact O-N 2.94Å; N644-A648 VanDerWaalsContact O-CB 3.28Å; N644-A648 WeakPolarHBondContact O-CB 3.5Å; N644-A648 PolarHBondContact O-N 2.88Å
645A97.6Very high95.8Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-70.3-48.717500000111.7A602 V606 I610 F641 G642 V649A602-A645 HydrophobicContact CB-CB 4.27Å; V606-A645 HydrophobicContact CG2-CB 3.7Å; I610-A645 HydrophobicContact CD1-CB 4.23Å; F641-A645 WeakPolarHBondContact O-CB 3.41Å; G642-A645 PolarHBondContact O-N 2.89Å; G642-A645 VanDerWaalsContact O-N 3.07Å; A645-V649 WeakPolarHBondContact O-CG2 3.35Å; A645-V649 PolarHBondContact O-N 3.33Å
646I97.9Very high95.9Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-64.1-46-177.7-61.1179.2000110.5M629 D633 K638 F641 G642 V649 S650 G882M629-I646 HydrophobicContact CB-CG1 4.46Å; M629-I646 HydrophobicContact CB-CG2 4.02Å; M629-I646 HydrophobicContact CE-CG2 4.09Å; M629-I646 HydrophobicContact SD-CG2 4.29Å; D633-I646 HydrophobicContact CB-CD1 3.98Å; K638-I646 HydrophobicContact CB-CD1 3.99Å; K638-I646 HydrophobicContact CD-CD1 4.03Å; K638-I646 HydrophobicContact CG-CD1 3.9Å; F641-I646 HydrophobicContact CB-CG1 4.46Å; G642-I646 PolarHBondContact O-N 2.8Å; I646-V649 PolarHBondContact O-N 2.78Å; I646-S650 VanDerWaalsContact O-CB 3.24Å; I646-S650 WeakPolarHBondContact O-CB 3.24Å; I646-S650 PolarHBondContact O-N 3.34Å; I646-G882 CarbonylContact C-O 3.56Å; I646-G882 VanDerWaalsContact CG2-O 3.29Å; I646-G882 WeakPolarHBondContact CG2-O 3.37Å
647L97.6Very high96.2Very high0 Ų013.7 Ų13.70%07%0.069CC..Hα-helixtrans-63.4-46.8-179.218069000111.7A572 A643 V649 S650 L651 F878 N879 G882A572-L647 HydrophobicContact CB-CD2 4.28Å; A643-L647 WeakPolarHBondContact O-CB 3.46Å; A643-L647 PolarHBondContact O-N 3.33Å; L647-V649 VanDerWaalsContact C-N 3.29Å; L647-V649 PolarHBondContact O-N 3.04Å; L647-S650 WeakPolarHBondContact O-CB 3.36Å; L647-S650 PolarHBondContact O-N 3.32Å; L647-L651 HydrophobicContact CD1-CD1 3.9Å; L647-L651 HydrophobicContact CD1-CD2 4.3Å; L647-L651 HydrophobicContact CD1-CG 3.87Å; L647-L651 HydrophobicContact CD2-CD1 4.41Å; L647-L651 HydrophobicContact CG-CD1 3.93Å; L647-L651 HydrophobicContact CG-CG 4.21Å; L647-L651 WeakPolarHBondContact O-CG 3.42Å; L647-L651 PolarHBondContact O-N 3.13Å; L647-F878 HydrophobicContact CD1-CB 3.9Å; L647-F878 HydrophobicContact CD1-CD2 4.2Å; L647-F878 HydrophobicContact CD1-CG 4.19Å; L647-F878 HydrophobicContact CD2-CD2 3.61Å; L647-F878 HydrophobicContact CD2-CE2 4.19Å; L647-F878 HydrophobicContact CD2-CG 4.4Å; L647-F878 HydrophobicContact CG-CD2 4.48Å; L647-N879 HydrophobicContact CD2-CB 3.63Å; L647-G882 VanDerWaalsContact CA-O 3.3Å; L647-G882 WeakPolarHBondContact CA-O 3.43Å; L647-G882 PolarHBondContact N-O 2.99Å; L647-G882 VanDerWaalsContact N-O 3.1Å
648A98Very high96.4Very high0 Ų011.1 Ų11.10%06%0.055CC..Hα-helixtrans-57.5-45.4-179.100000110.9V556 A558 A572 N644 A652V556-A648 HydrophobicContact CB-CB 4.49Å; V556-A648 HydrophobicContact CG1-CB 4Å; A558-A648 HydrophobicContact CB-CB 3.8Å; A572-A648 HydrophobicContact CB-CB 4.29Å; N644-A648 VanDerWaalsContact O-CB 3.28Å; N644-A648 WeakPolarHBondContact O-CB 3.5Å; N644-A648 PolarHBondContact O-N 2.88Å; A648-A652 WeakPolarHBondContact O-CB 3.29Å; A648-A652 PolarHBondContact O-N 3.1Å
649V98.6Very high96.2Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-68-41.8177.5177.60000111.7I542 A558 V560 V606 I610 L614 M629 A645 I646 L647 L651 A652 N653I542-V649 HydrophobicContact CD1-CG1 4.12Å; I542-V649 HydrophobicContact CG2-CG2 4.24Å; A558-V649 HydrophobicContact CB-CB 4.48Å; A558-V649 HydrophobicContact CB-CG2 3.77Å; V560-V649 HydrophobicContact CG2-CG1 4.26Å; V606-V649 HydrophobicContact CB-CG2 4.37Å; V606-V649 HydrophobicContact CG1-CG2 3.66Å; V606-V649 HydrophobicContact CG2-CG2 3.94Å; I610-V649 HydrophobicContact CG2-CB 4.48Å; I610-V649 HydrophobicContact CG2-CG1 4.08Å; I610-V649 HydrophobicContact CG2-CG2 4.16Å; L614-V649 HydrophobicContact CD1-CG1 3.74Å; M629-V649 HydrophobicContact CE-CB 4.48Å; M629-V649 HydrophobicContact CE-CG1 4.29Å; M629-V649 HydrophobicContact SD-CB 3.77Å; M629-V649 HydrophobicContact SD-CG1 3.59Å; M629-V649 VanDerWaalsContact SD-CG1 3.59Å; A645-V649 WeakPolarHBondContact O-CG2 3.35Å; A645-V649 PolarHBondContact O-N 3.33Å; I646-V649 PolarHBondContact O-N 2.78Å; L647-V649 VanDerWaalsContact C-N 3.29Å; L647-V649 PolarHBondContact O-N 3.04Å; V649-L651 PolarHBondContact O-N 3.3Å; V649-A652 PolarHBondContact O-N 3.21Å; V649-N653 WeakPolarHBondContact O-CB 3.32Å; V649-N653 PolarHBondContact O-N 2.89Å
650S98.6Very high95.9Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-56.9-48.9178.3-1770000111.9Q622 D626 I646 L647 N653 A654 L884Q622-S650 PolarHBondContact NE2-O 3.16Å; Q622-S650 PolarHBondContact NE2-OG 2.95Å; D626-S650 VanDerWaalsContact CG-OG 3.23Å; D626-S650 WeakPolarHBondContact OD1-CB 3.47Å; D626-S650 PolarHBondContact OD1-OG 3.34Å; D626-S650 PolarHBondContact OD2-OG 3.08Å; I646-S650 VanDerWaalsContact O-CB 3.24Å; I646-S650 WeakPolarHBondContact O-CB 3.24Å; I646-S650 PolarHBondContact O-N 3.34Å; L647-S650 WeakPolarHBondContact O-CB 3.36Å; L647-S650 PolarHBondContact O-N 3.32Å; S650-N653 PolarHBondContact O-N 3.41Å; S650-A654 PolarHBondContact O-N 3.45Å; S650-A654 VanDerWaalsContact O-N 3.16Å; S650-L884 WeakPolarHBondContact OG-CB 3.32Å; S650-L884 PolarHBondContact OG-N 3.04Å
651L98.6Very high95.3Very high2 Ų29.4 Ų9.41%0.015%0.053CC..Hα-helixtrans-71.2-38178.7-62.8-178.6000112.2A570 L647 V649 N653 A654 K655 F878 L884 T914A570-L651 HydrophobicContact CB-CB 3.42Å; A570-L651 VanDerWaalsContact CB-CB 3.42Å; L647-L651 HydrophobicContact CD1-CD1 3.9Å; L647-L651 HydrophobicContact CD1-CD2 4.3Å; L647-L651 HydrophobicContact CD1-CG 3.87Å; L647-L651 HydrophobicContact CD2-CD1 4.41Å; L647-L651 HydrophobicContact CG-CD1 3.93Å; L647-L651 HydrophobicContact CG-CG 4.21Å; L647-L651 WeakPolarHBondContact O-CG 3.42Å; L647-L651 PolarHBondContact O-N 3.13Å; V649-L651 PolarHBondContact O-N 3.3Å; L651-N653 VanDerWaalsContact C-N 3.32Å; L651-N653 PolarHBondContact O-N 3.29Å; L651-A654 PolarHBondContact O-N 3.13Å; L651-K655 WeakPolarHBondContact O-CG 3.31Å; L651-K655 PolarHBondContact O-N 3.4Å; L651-F878 HydrophobicContact CD1-CE1 4.43Å; L651-F878 HydrophobicContact CD1-CE2 4.33Å; L651-F878 HydrophobicContact CD1-CZ 4.21Å; L651-L884 HydrophobicContact CD2-CB 4.1Å; L651-L884 HydrophobicContact CD2-CD1 4.17Å; L651-L884 HydrophobicContact CD2-CD2 4.44Å; L651-L884 HydrophobicContact CD2-CG 4.46Å; L651-T914 HydrophobicContact CD1-CG2 4.37Å; L651-T914 HydrophobicContact CD2-CG2 4.03Å
652A98.6Very high94.8Very high0 Ų012.3 Ų12.30%09%0.086CC..Hα-helixtrans-63.3-39.8175.400000111.3A558 V560 G568 A570 A648 V649 K655 A656A558-A652 HydrophobicContact CB-CB 4.27Å; A558-A652 WeakPolarHBondContact O-CB 3.2Å; V560-A652 HydrophobicContact CB-CB 4.32Å; V560-A652 HydrophobicContact CG2-CB 3.79Å; G568-A652 WeakPolarHBondContact CA-O 3.43Å; A570-A652 HydrophobicContact CB-CB 4.11Å; A648-A652 WeakPolarHBondContact O-CB 3.29Å; A648-A652 PolarHBondContact O-N 3.1Å; V649-A652 PolarHBondContact O-N 3.21Å; A652-K655 PolarHBondContact O-N 3.4Å; A652-A656 WeakPolarHBondContact O-CB 3.35Å; A652-A656 PolarHBondContact O-N 2.96Å
653N98.6Very high94.7Very high0 Ų014.2 Ų14.20%010%0.096CC..Hα-helixtrans-61.2-48.3174.2-176.579.3000111.8I539 V560 A619 Q622 I625 V649 S650 L651 K655 A656 A657I539-N653 WeakPolarHBondContact CD1-OD1 3.41Å; V560-N653 HydrophobicContact CG2-CB 4.33Å; A619-N653 WeakPolarHBondContact CA-OD1 3.35Å; A619-N653 WeakPolarHBondContact CB-OD1 3.32Å; A619-N653 PolarHBondContact O-ND2 2.97Å; Q622-N653 PolarHBondContact OE1-ND2 2.97Å; I625-N653 HydrophobicContact CG2-CB 4.35Å; V649-N653 WeakPolarHBondContact O-CB 3.32Å; V649-N653 PolarHBondContact O-N 2.89Å; S650-N653 PolarHBondContact O-N 3.41Å; L651-N653 VanDerWaalsContact C-N 3.32Å; L651-N653 PolarHBondContact O-N 3.29Å; N653-K655 VanDerWaalsContact C-N 3.29Å; N653-K655 PolarHBondContact O-N 2.8Å; N653-A656 WeakPolarHBondContact O-CB 3.4Å; N653-A656 PolarHBondContact O-N 3.25Å; N653-A656 VanDerWaalsContact O-N 3.11Å; N653-A657 WeakPolarHBondContact O-CB 3.48Å; N653-A657 PolarHBondContact O-N 3.43Å
654A98.4Very high94.7Very high1 Ų116.9 Ų16.91%0.00811%0.113CC..Hα-helixtrans-58.6-41.3178.100000112S650 L651 A657 A658 L665 H668 L884S650-A654 PolarHBondContact O-N 3.45Å; S650-A654 VanDerWaalsContact O-N 3.16Å; L651-A654 PolarHBondContact O-N 3.13Å; A654-A657 PolarHBondContact O-N 3.19Å; A654-A658 WeakPolarHBondContact O-CB 3.39Å; A654-A658 PolarHBondContact O-N 3.48Å; A654-L665 HydrophobicContact CB-CD1 4.28Å; A654-H668 PolarHBondContact O-CD2 3.4Å; A654-L884 HydrophobicContact CB-CD2 3.59Å
655K98.3Very high94.9Very high44 Ų4417.9 Ų17.919%0.19112%0.118CC..Hα-helixtrans-64.6-42.7174.7-75.1173177.4177.20112.5M569 A570 L651 A652 N653 A657 A658 A659 L665 D912 T914M569-K655 WeakPolarHBondContact O-CD 3.14Å; M569-K655 WeakPolarHBondContact O-CE 3.3Å; M569-K655 PolarHBondContact O-NZ 2.74Å; A570-K655 HydrophobicContact CB-CD 4.27Å; L651-K655 WeakPolarHBondContact O-CG 3.31Å; L651-K655 PolarHBondContact O-N 3.4Å; A652-K655 PolarHBondContact O-N 3.4Å; N653-K655 VanDerWaalsContact C-N 3.29Å; N653-K655 PolarHBondContact O-N 2.8Å; K655-A657 VanDerWaalsContact C-N 3.35Å; K655-A658 PolarHBondContact O-N 2.99Å; K655-A659 WeakPolarHBondContact O-CB 3.17Å; K655-A659 PolarHBondContact O-N 2.96Å; K655-L665 HydrophobicContact CD-CD2 4.43Å; K655-L665 HydrophobicContact CG-CD1 4.04Å; K655-L665 HydrophobicContact CG-CD2 3.74Å; K655-L665 HydrophobicContact CG-CG 4.45Å; K655-D912 IonicContact NZ-OD1 3.76Å; K655-D912 PolarHBondContact NZ-OD1 3.41Å; K655-D912 IonicContact NZ-OD2 2.73Å; K655-D912 PolarHBondContact NZ-OD2 3.45Å; K655-T914 WeakPolarHBondContact CE-OG1 3.4Å; K655-T914 PolarHBondContact NZ-OG1 3.39Å
656A96.1Very high94.9Very high0 Ų018.6 Ų18.60%012%0.121CC..Hα-helixtrans-64.3-42.8178.100000110.9V560 L562 A652 N653 A659 A660V560-A656 HydrophobicContact CB-CB 4.26Å; V560-A656 HydrophobicContact CG1-CB 4.15Å; L562-A656 HydrophobicContact CD1-CB 3.77Å; L562-A656 WeakPolarHBondContact CD1-O 3.26Å; L562-A656 HydrophobicContact CD2-CB 4.09Å; L562-A656 HydrophobicContact CG-CB 3.84Å; A652-A656 WeakPolarHBondContact O-CB 3.35Å; A652-A656 PolarHBondContact O-N 2.96Å; N653-A656 WeakPolarHBondContact O-CB 3.4Å; N653-A656 PolarHBondContact O-N 3.25Å; N653-A656 VanDerWaalsContact O-N 3.11Å; A656-A659 PolarHBondContact O-N 3.09Å; A656-A660 WeakPolarHBondContact O-CB 3.46Å; A656-A660 PolarHBondContact O-N 3.39Å
657A94.5Very high94.8Very high0 Ų021.9 Ų21.90%014%0.136CC..Hα-helixtrans-65.8-42.3176.800000112.5A619 N653 A654 K655 A659 A660 K661A619-A657 HydrophobicContact CB-CB 4.27Å; A619-A657 WeakPolarHBondContact O-CB 3.19Å; N653-A657 WeakPolarHBondContact O-CB 3.48Å; N653-A657 PolarHBondContact O-N 3.43Å; A654-A657 PolarHBondContact O-N 3.19Å; K655-A657 VanDerWaalsContact C-N 3.35Å; A657-A659 VanDerWaalsContact C-N 3.35Å; A657-A660 PolarHBondContact O-N 3.14Å; A657-K661 WeakPolarHBondContact O-CB 3.45Å; A657-K661 WeakPolarHBondContact O-CG 3.36Å; A657-K661 PolarHBondContact O-N 3.21Å
658A94.3Very high94.8Very high3 Ų321.9 Ų21.93%0.02514%0.136CC..Hα-helixtrans-59.7-46173.900000111.3A654 K655 A660 K661 G662 M663 L665 H668A654-A658 WeakPolarHBondContact O-CB 3.39Å; A654-A658 PolarHBondContact O-N 3.48Å; K655-A658 PolarHBondContact O-N 2.99Å; A658-A660 PolarHBondContact O-N 3.09Å; A658-K661 CarbonylContact O-C 3.46Å; A658-K661 PolarHBondContact O-N 3.4Å; A658-G662 PolarHBondContact O-N 2.94Å; A658-G662 VanDerWaalsContact O-N 3.13Å; A658-M663 CarbonylContact C-O 3.45Å; A658-M663 PolarHBondContact O-N 3.49Å; A658-M663 VanDerWaalsContact O-N 3.1Å; A658-M663 VanDerWaalsContact O-O 3.12Å; A658-L665 HydrophobicContact CB-CD1 4.27Å; A658-H668 HydrophobicContact CB-CB 3.65Å
659A90.1Very high94.8Very high38 Ų3822 Ų2231%0.31414%0.137SC..Hα-helixtrans-61-44.2175.300000111.9F566 K655 A656 A657 K661 G662F566-A659 HydrophobicContact CB-CB 4.21Å; F566-A659 VanDerWaalsContact CD1-C 3.48Å; F566-A659 HydrophobicContact CD1-CB 4.03Å; F566-A659 WeakPolarHBondContact CD1-O 3.12Å; F566-A659 VanDerWaalsContact CE1-O 3.28Å; F566-A659 WeakPolarHBondContact CE1-O 3.25Å; F566-A659 HydrophobicContact CG-CB 4.49Å; K655-A659 WeakPolarHBondContact O-CB 3.17Å; K655-A659 PolarHBondContact O-N 2.96Å; A656-A659 PolarHBondContact O-N 3.09Å; A657-A659 VanDerWaalsContact C-N 3.35Å; A659-K661 VanDerWaalsContact C-N 3.26Å; A659-K661 PolarHBondContact O-N 2.72Å; A659-G662 PolarHBondContact O-N 2.94Å
660A84.2Confident94.8Very high21 Ų2122 Ų2217%0.17414%0.137CC..Hα-helixtrans-65.2-27.4176.300000113.8L562 F566 A656 A657 A658 G662L562-A660 HydrophobicContact CD1-CB 3.76Å; F566-A660 HydrophobicContact CB-CB 4.25Å; F566-A660 HydrophobicContact CD1-CB 4.48Å; F566-A660 HydrophobicContact CD2-CB 3.52Å; F566-A660 HydrophobicContact CE2-CB 3.94Å; F566-A660 HydrophobicContact CG-CB 3.83Å; A656-A660 WeakPolarHBondContact O-CB 3.46Å; A656-A660 PolarHBondContact O-N 3.39Å; A657-A660 PolarHBondContact O-N 3.14Å; A658-A660 PolarHBondContact O-N 3.09Å; A660-G662 VanDerWaalsContact C-N 3.3Å
661K84Confident94.6Very high74 Ų7425.5 Ų25.532%0.32215%0.153SC..THydrogen-bonded Turntrans-82.1-6.4172.2-73.7177.7171.5-170.80113.1A657 A658 A659 M663 H668 E671A657-K661 WeakPolarHBondContact O-CB 3.45Å; A657-K661 WeakPolarHBondContact O-CG 3.36Å; A657-K661 PolarHBondContact O-N 3.21Å; A658-K661 CarbonylContact O-C 3.46Å; A658-K661 PolarHBondContact O-N 3.4Å; A659-K661 VanDerWaalsContact C-N 3.26Å; A659-K661 PolarHBondContact O-N 2.72Å; K661-M663 VanDerWaalsContact C-N 3.29Å; K661-M663 HydrophobicContact CB-CE 4.33Å; K661-M663 HydrophobicContact CB-CG 3.81Å; K661-M663 HydrophobicContact CB-SD 4.17Å; K661-M663 HydrophobicContact CD-SD 4.08Å; K661-M663 PolarHBondContact O-N 3.13Å; K661-H668 PolarHBondContact NZ-CE1 3.35Å; K661-H668 PolarHBondContact NZ-ND1 3.41Å; K661-E671 IonicContact NZ-OE2 2.72Å; K661-E671 PolarHBondContact NZ-OE2 3.4Å
662G82.7Confident94.5Very high73 Ų7328 Ų2875%0.75317%0.166SC*.THydrogen-bonded Turntrans67.327-17700000113.9A658 A659 A660A658-G662 PolarHBondContact O-N 2.94Å; A658-G662 VanDerWaalsContact O-N 3.13Å; A659-G662 PolarHBondContact O-N 2.94Å; A660-G662 VanDerWaalsContact C-N 3.3Å
663M91.6Very high94.4Very high40 Ų4028.7 Ų28.720%0.19717%0.17CC..SBendtrans-127.3155.4-177.763.1176.847.500112.9A658 K661 E667 H668A658-M663 CarbonylContact C-O 3.45Å; A658-M663 PolarHBondContact O-N 3.49Å; A658-M663 VanDerWaalsContact O-N 3.1Å; A658-M663 VanDerWaalsContact O-O 3.12Å; K661-M663 VanDerWaalsContact C-N 3.29Å; K661-M663 HydrophobicContact CB-CE 4.33Å; K661-M663 HydrophobicContact CB-CG 3.81Å; K661-M663 HydrophobicContact CB-SD 4.17Å; K661-M663 HydrophobicContact CD-SD 4.08Å; K661-M663 PolarHBondContact O-N 3.13Å; M663-E667 HydrophobicContact CE-CG 4.47Å; M663-E667 HydrophobicContact SD-CG 4.14Å; M663-H668 HydrophobicContact CG-CB 4.36Å; M663-H668 HydrophobicContact SD-CB 4.04Å
664P95.5Very high94.1Very high57 Ų5731.4 Ų31.437%0.3720%0.198SC..  trans-61.7153.6173.3-22.935.2000113.1Y666 E667 H668P664-Y666 HydrophobicContact CB-CD1 3.72Å; P664-Y666 HydrophobicContact CB-CE1 3.29Å; P664-Y666 HydrophobicContact CB-CE2 4.36Å; P664-Y666 HydrophobicContact CB-CG 4.44Å; P664-Y666 HydrophobicContact CG-CE1 3.91Å; P664-Y666 PolarHBondContact O-N 3.17Å; P664-E667 WeakPolarHBondContact O-CB 3.48Å; P664-E667 PolarHBondContact O-N 2.8Å; P664-E667 VanDerWaalsContact O-N 3.13Å; P664-H668 PolarHBondContact O-N 3.14Å; P664-H668 VanDerWaalsContact O-N 3.14Å
665L98.2Very high94Very high22 Ų2233 Ų3312%0.11521%0.207CC..Hα-helixtrans-61.5-42.2-177.3-179.562.9000112.9A654 K655 A658 E667 H668 I669 T914 D917A654-L665 HydrophobicContact CB-CD1 4.28Å; K655-L665 HydrophobicContact CD-CD2 4.43Å; K655-L665 HydrophobicContact CG-CD1 4.04Å; K655-L665 HydrophobicContact CG-CD2 3.74Å; K655-L665 HydrophobicContact CG-CG 4.45Å; A658-L665 HydrophobicContact CB-CD1 4.27Å; L665-E667 PolarHBondContact O-N 2.8Å; L665-H668 PolarHBondContact O-N 3.47Å; L665-I669 HydrophobicContact CD1-CD1 4.24Å; L665-I669 HydrophobicContact CD1-CG1 4.21Å; L665-I669 HydrophobicContact CD2-CD1 4.4Å; L665-I669 HydrophobicContact CG-CD1 3.87Å; L665-I669 HydrophobicContact CG-CG1 4.29Å; L665-I669 WeakPolarHBondContact O-CG1 3.44Å; L665-I669 PolarHBondContact O-N 3.14Å; L665-T914 HydrophobicContact CD2-CG2 4Å; L665-D917 HydrophobicContact CB-CB 4.25Å; L665-D917 HydrophobicContact CD2-CB 3.97Å; L665-D917 HydrophobicContact CG-CB 4.07Å
666Y98.1Very high93.7Very high16 Ų1634.9 Ų34.96%0.06322%0.224CC..Hα-helixtrans-58.7-32.7177.166.2-101000112.8P664 A670 Y679 D917 G921 I947 L951P664-Y666 HydrophobicContact CB-CD1 3.72Å; P664-Y666 HydrophobicContact CB-CE1 3.29Å; P664-Y666 HydrophobicContact CB-CE2 4.36Å; P664-Y666 HydrophobicContact CB-CG 4.44Å; P664-Y666 HydrophobicContact CG-CE1 3.91Å; P664-Y666 PolarHBondContact O-N 3.17Å; Y666-A670 PolarHBondContact O-N 2.88Å; Y666-Y679 HydrophobicContact CD2-CD1 4.28Å; Y666-Y679 AromaticContact CD2-CE1 3.98Å; Y666-Y679 HydrophobicContact CD2-CE1 3.98Å; Y666-Y679 HydrophobicContact CE2-CE1 4.39Å; Y666-D917 PolarHBondContact N-OD1 3.31Å; Y666-G921 WeakPolarHBondContact O-CA 3.11Å; Y666-I947 HydrophobicContact CD1-CB 4.43Å; Y666-I947 HydrophobicContact CD1-CD1 4.03Å; Y666-I947 HydrophobicContact CD1-CG1 3.76Å; Y666-I947 HydrophobicContact CD1-CG2 3.89Å; Y666-I947 HydrophobicContact CE1-CB 4.48Å; Y666-I947 HydrophobicContact CE1-CG1 4.08Å; Y666-I947 HydrophobicContact CE1-CG2 3.97Å; Y666-I947 HydrophobicContact CG-CG2 4.25Å; Y666-L951 HydrophobicContact CD2-CD1 4.16Å; Y666-L951 HydrophobicContact CE2-CD1 3.81Å; Y666-L951 HydrophobicContact CE2-CD2 3.78Å; Y666-L951 HydrophobicContact CE2-CG 3.99Å
667E97.3Very high93.4Very high69 Ų6937.4 Ų37.432%0.32225%0.25SS..Hα-helixtrans-74.6-43178.5-177.5163.5-165.400110.4M663 P664 L665 I669 A670 E671 Y679M663-E667 HydrophobicContact CE-CG 4.47Å; M663-E667 HydrophobicContact SD-CG 4.14Å; P664-E667 WeakPolarHBondContact O-CB 3.48Å; P664-E667 PolarHBondContact O-N 2.8Å; P664-E667 VanDerWaalsContact O-N 3.13Å; L665-E667 PolarHBondContact O-N 2.8Å; E667-I669 VanDerWaalsContact C-N 3.33Å; E667-I669 PolarHBondContact O-N 2.87Å; E667-A670 WeakPolarHBondContact O-CB 3.38Å; E667-A670 PolarHBondContact O-N 3.2Å; E667-A670 VanDerWaalsContact O-N 3.13Å; E667-E671 PolarHBondContact O-N 2.74Å; E667-Y679 WeakPolarHBondContact CG-OH 3.38Å
668H96.8Very high93.5Very high0 Ų044.3 Ų44.30%028%0.28CS..Hα-helixtrans-61.1-41172.8-175.144.7000112.4A654 A658 K661 M663 P664 L665 A670 E671 L672A654-H668 PolarHBondContact O-CD2 3.4Å; A658-H668 HydrophobicContact CB-CB 3.65Å; K661-H668 PolarHBondContact NZ-CE1 3.35Å; K661-H668 PolarHBondContact NZ-ND1 3.41Å; M663-H668 HydrophobicContact CG-CB 4.36Å; M663-H668 HydrophobicContact SD-CB 4.04Å; P664-H668 PolarHBondContact O-N 3.14Å; P664-H668 VanDerWaalsContact O-N 3.14Å; L665-H668 PolarHBondContact O-N 3.47Å; H668-A670 VanDerWaalsContact C-N 3.31Å; H668-A670 PolarHBondContact O-N 3.14Å; H668-E671 IonicContact ND1-OE2 3.86Å; H668-E671 WeakPolarHBondContact O-CB 3.38Å; H668-E671 PolarHBondContact O-N 3.38Å; H668-L672 WeakPolarHBondContact O-CG 3.48Å; H668-L672 PolarHBondContact O-N 3.06Å
669I98.3Very high93.6Very high1 Ų145.2 Ų45.21%0.00528%0.283CS..Hα-helixtrans-61.4-40.6174.1-72.3173.1000110.9L665 E667 E671 L672 N673 L888 D917 L918 T922L665-I669 HydrophobicContact CD1-CD1 4.24Å; L665-I669 HydrophobicContact CD1-CG1 4.21Å; L665-I669 HydrophobicContact CD2-CD1 4.4Å; L665-I669 HydrophobicContact CG-CD1 3.87Å; L665-I669 HydrophobicContact CG-CG1 4.29Å; L665-I669 WeakPolarHBondContact O-CG1 3.44Å; L665-I669 PolarHBondContact O-N 3.14Å; E667-I669 VanDerWaalsContact C-N 3.33Å; E667-I669 PolarHBondContact O-N 2.87Å; I669-E671 VanDerWaalsContact C-N 3.32Å; I669-E671 PolarHBondContact O-N 3.03Å; I669-L672 PolarHBondContact O-N 3.21Å; I669-N673 VanDerWaalsContact O-CB 3.26Å; I669-N673 WeakPolarHBondContact O-CB 3.45Å; I669-N673 PolarHBondContact O-N 3.02Å; I669-L888 HydrophobicContact CG2-CD2 4.24Å; I669-D917 HydrophobicContact CD1-CB 4.2Å; I669-L918 HydrophobicContact CD1-CB 4.29Å; I669-L918 HydrophobicContact CD1-CD1 4.34Å; I669-L918 HydrophobicContact CG2-CD1 3.9Å; I669-T922 HydrophobicContact CG2-CG2 3.86Å
670A97.5Very high93.9Very high0 Ų043.7 Ų43.70%027%0.27CS..Hα-helixtrans-63.9-37176.800000112.3Y666 E667 H668 G674 T675 Y679 G921Y666-A670 PolarHBondContact O-N 2.88Å; E667-A670 WeakPolarHBondContact O-CB 3.38Å; E667-A670 PolarHBondContact O-N 3.2Å; E667-A670 VanDerWaalsContact O-N 3.13Å; H668-A670 VanDerWaalsContact C-N 3.31Å; H668-A670 PolarHBondContact O-N 3.14Å; A670-G674 PolarHBondContact O-N 3.35Å; A670-T675 CarbonylContact O-C 3.47Å; A670-T675 VanDerWaalsContact O-C 3.31Å; A670-T675 PolarHBondContact O-N 2.81Å; A670-Y679 HydrophobicContact CB-CD1 4.35Å; A670-Y679 HydrophobicContact CB-CE1 3.64Å; A670-G921 VanDerWaalsContact CA-O 3.24Å; A670-G921 WeakPolarHBondContact CA-O 3.37Å; A670-G921 VanDerWaalsContact CB-O 3.29Å; A670-G921 WeakPolarHBondContact CB-O 3.44Å
671E96.1Very high94.6Very high74 Ų7442.7 Ų42.735%0.34626%0.262SS..Hα-helixtrans-61.4-50.5170.7-66.3-172.9148.500111.4K661 E667 H668 I669 N673 G674 P676K661-E671 IonicContact NZ-OE2 2.72Å; K661-E671 PolarHBondContact NZ-OE2 3.4Å; E667-E671 PolarHBondContact O-N 2.74Å; H668-E671 IonicContact ND1-OE2 3.86Å; H668-E671 WeakPolarHBondContact O-CB 3.38Å; H668-E671 PolarHBondContact O-N 3.38Å; I669-E671 VanDerWaalsContact C-N 3.32Å; I669-E671 PolarHBondContact O-N 3.03Å; E671-N673 VanDerWaalsContact C-N 3.27Å; E671-N673 PolarHBondContact O-N 3.21Å; E671-G674 PolarHBondContact O-N 3.4Å; E671-P676 HydrophobicContact CG-CB 4.38Å
672L95.8Very high95.3Very high54 Ų5439.2 Ų39.228%0.28325%0.247SC..Hα-helixtrans-61.7-35.1-180-67.3176.5000112.4Q622 H668 I669 G674 L884 L888Q622-L672 HydrophobicContact CB-CD1 4.02Å; Q622-L672 HydrophobicContact CB-CD2 3.74Å; Q622-L672 HydrophobicContact CG-CD1 3.97Å; H668-L672 WeakPolarHBondContact O-CG 3.48Å; H668-L672 PolarHBondContact O-N 3.06Å; I669-L672 PolarHBondContact O-N 3.21Å; L672-G674 PolarHBondContact O-N 2.85Å; L672-L884 HydrophobicContact CD1-CD2 4.13Å; L672-L888 HydrophobicContact CB-CD1 3.76Å
673N95.9Very high96Very high16 Ų1635.7 Ų35.79%0.08621%0.211CC..THydrogen-bonded Turntrans-73.9-9.9176-17055.9000113.2I669 E671 T675 L888 T922I669-N673 VanDerWaalsContact O-CB 3.26Å; I669-N673 WeakPolarHBondContact O-CB 3.45Å; I669-N673 PolarHBondContact O-N 3.02Å; E671-N673 VanDerWaalsContact C-N 3.27Å; E671-N673 PolarHBondContact O-N 3.21Å; N673-T675 PolarHBondContact ND2-OG1 3.21Å; N673-L888 HydrophobicContact CB-CD2 4.24Å; N673-T922 HydrophobicContact CB-CG2 4.42Å
674G93.1Very high96.3Very high57 Ų5733.8 Ų33.859%0.58820%0.202SC*.THydrogen-bonded Turntrans74.526-175.700000113.5A670 E671 L672 P676A670-G674 PolarHBondContact O-N 3.35Å; E671-G674 PolarHBondContact O-N 3.4Å; L672-G674 PolarHBondContact O-N 2.85Å; G674-P676 VanDerWaalsContact C-CD 3.45Å
675T94.9Very high96.4Very high33 Ų3331.1 Ų31.120%0.20218%0.184CC..  trans-131.947.4-179.858.60000113.1A670 N673 G677 K678A670-T675 CarbonylContact O-C 3.47Å; A670-T675 VanDerWaalsContact O-C 3.31Å; A670-T675 PolarHBondContact O-N 2.81Å; N673-T675 PolarHBondContact ND2-OG1 3.21Å; T675-G677 PolarHBondContact O-N 2.72Å; T675-K678 WeakPolarHBondContact O-CB 3.29Å; T675-K678 PolarHBondContact O-N 3.4Å; T675-K678 VanDerWaalsContact O-N 3.12Å
676P92.5Very high96.4Very high84 Ų8430.1 Ų30.155%0.54518%0.179SC..THydrogen-bonded Turntrans-57.1140-178.326.5-35.4000111.4E671 G674 K678E671-P676 HydrophobicContact CG-CB 4.38Å; G674-P676 VanDerWaalsContact C-CD 3.45Å; P676-K678 PolarHBondContact O-N 3.03Å
677G90.9Very high96.3Very high53 Ų5329.3 Ų29.355%0.54618%0.176SC..THydrogen-bonded Turntrans72.21-178.500000115.7T675 Y679T675-G677 PolarHBondContact O-N 2.72Å; G677-Y679 PolarHBondContact N-OH 3.19Å
678K95.5Very high96.2Very high145 Ų14526 Ų2663%0.6316%0.16SC*.  trans-105.8111.7176.4-62.2-174.8-179.8178.90110.4T675 P676T675-K678 WeakPolarHBondContact O-CB 3.29Å; T675-K678 PolarHBondContact O-N 3.4Å; T675-K678 VanDerWaalsContact O-N 3.12Å; P676-K678 PolarHBondContact O-N 3.03Å
679Y97Very high96.2Very high23 Ų2326 Ų269%0.0916%0.16CC..  trans-131.3155.8-177-46.3-67.3000110.6Y666 E667 A670 G677 V920 L951Y666-Y679 HydrophobicContact CD2-CD1 4.28Å; Y666-Y679 AromaticContact CD2-CE1 3.98Å; Y666-Y679 HydrophobicContact CD2-CE1 3.98Å; Y666-Y679 HydrophobicContact CE2-CE1 4.39Å; E667-Y679 WeakPolarHBondContact CG-OH 3.38Å; A670-Y679 HydrophobicContact CB-CD1 4.35Å; A670-Y679 HydrophobicContact CB-CE1 3.64Å; G677-Y679 PolarHBondContact N-OH 3.19Å; Y679-V920 HydrophobicContact CD1-CG1 4.4Å; Y679-L951 HydrophobicContact CD2-CD1 4.08Å; Y679-L951 HydrophobicContact CD2-CD2 3.94Å; Y679-L951 HydrophobicContact CE2-CD2 3.98Å; Y679-L951 HydrophobicContact CG-CD1 3.99Å
680S96.8Very high96Very high6 Ų626 Ų264%0.04216%0.16CC..  trans-143.4146.2162.963.60000109.7A923S680-A923 VanDerWaalsContact OG-CA 3.32Å; S680-A923 WeakPolarHBondContact OG-CA 3.15Å; S680-A923 WeakPolarHBondContact OG-CB 3.49Å
681M98.3Very high95.8Very high0 Ų026 Ų260%016%0.16CC..BIsolated β-bridgetrans-81.5126.2172-67.4-48.3-63.600109.1V714 V920 L944 I947 E948 A955 P956 Y957M681-V714 HydrophobicContact CB-CB 4.17Å; M681-V714 HydrophobicContact CE-CB 4.14Å; M681-V714 HydrophobicContact CE-CG1 3.59Å; M681-V920 HydrophobicContact CE-CG2 3.95Å; M681-V920 HydrophobicContact SD-CG1 4.28Å; M681-V920 HydrophobicContact SD-CG2 3.82Å; M681-L944 HydrophobicContact CE-CB 4.03Å; M681-L944 HydrophobicContact CE-CD2 3.99Å; M681-L944 VanDerWaalsContact CE-O 3.25Å; M681-L944 WeakPolarHBondContact CE-O 3.44Å; M681-I947 HydrophobicContact SD-CG2 4.26Å; M681-E948 HydrophobicContact CE-CB 4.08Å; M681-E948 HydrophobicContact SD-CB 4.37Å; M681-A955 HydrophobicContact CG-CB 3.92Å; M681-A955 WeakPolarHBondContact CG-O 3.49Å; M681-A955 HydrophobicContact SD-CB 3.91Å; M681-P956 PolarHBondContact N-O 2.98Å; M681-Y957 HydrophobicContact CB-CD2 4.19Å
682P98.3Very high95.6Very high0 Ų023.5 Ų23.50%016%0.155CC..PPolyproline II helixtrans-74.4147.5-173.230.6-36.9000112.3P684 A919 G925 I927 L944 Y957P682-P684 WeakPolarHBondContact O-CD 3.35Å; P682-A919 HydrophobicContact CB-CB 4.17Å; P682-A919 HydrophobicContact CG-CB 3.92Å; P682-G925 CarbonylContact C-O 3.54Å; P682-G925 VanDerWaalsContact CA-O 3.32Å; P682-G925 WeakPolarHBondContact CA-O 3.46Å; P682-I927 HydrophobicContact CB-CB 3.89Å; P682-I927 HydrophobicContact CB-CG2 3.76Å; P682-I927 HydrophobicContact CG-CB 4.01Å; P682-I927 HydrophobicContact CG-CG2 3.65Å; P682-L944 HydrophobicContact CG-CD1 4.1Å; P682-L944 HydrophobicContact CG-CD2 3.74Å; P682-Y957 WeakPolarHBondContact O-CE2 3.41Å
683V98.3Very high95.2Very high0 Ų027.6 Ų27.60%017%0.172CC..EExtended strand (participates in β ladder)trans-71.6119166.5-179.40000109M685 Q707 V709 G925 Q926 I927 Y957 G959 E962V683-M685 PolarHBondContact O-N 3.17Å; V683-Q707 HydrophobicContact CG1-CB 4.2Å; V683-V709 HydrophobicContact CG1-CG1 4.4Å; V683-G925 PolarHBondContact N-O 3.13Å; V683-Q926 HydrophobicContact CB-CG 4.32Å; V683-Q926 WeakPolarHBondContact O-CA 3.26Å; V683-I927 PolarHBondContact O-N 3.22Å; V683-Y957 HydrophobicContact CG2-CE2 4.21Å; V683-G959 VanDerWaalsContact CG2-O 3.24Å; V683-G959 WeakPolarHBondContact CG2-O 3.34Å; V683-E962 HydrophobicContact CG2-CB 4.05Å; V683-E962 HydrophobicContact CG2-CG 4.18Å
684P98Very high94.6Very high0 Ų027.9 Ų27.90%017%0.173CC..EExtended strand (participates in β ladder)trans-74.2126.8176.729.6-32.4000110.8P682 M686 P708 A717 I927 Y941P682-P684 WeakPolarHBondContact O-CD 3.35Å; P684-M686 HydrophobicContact CB-CE 3.63Å; P684-M686 HydrophobicContact CB-CG 3.97Å; P684-M686 HydrophobicContact CG-CE 3.56Å; P684-M686 HydrophobicContact CG-CG 4.46Å; P684-P708 HydrophobicContact CG-CG 4.24Å; P684-P708 VanDerWaalsContact O-CD 3.31Å; P684-P708 WeakPolarHBondContact O-CD 3.43Å; P684-A717 HydrophobicContact CG-CB 4.06Å; P684-I927 CarbonylContact C-O 3.17Å; P684-I927 WeakPolarHBondContact CA-O 3.46Å; P684-I927 HydrophobicContact CB-CG2 4.36Å; P684-Y941 HydrophobicContact CB-CE1 3.73Å
685M97.7Very high94.4Very high1 Ų126 Ų261%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-92.694.4167.2-62.3178.368.100107.5V683 M705 Q707 A779 V902 I927 K928V683-M685 PolarHBondContact O-N 3.17Å; M685-M705 HydrophobicContact CB-SD 3.93Å; M685-M705 HydrophobicContact CE-CE 4.08Å; M685-M705 HydrophobicContact CE-SD 4.11Å; M685-Q707 HydrophobicContact CG-CG 3.94Å; M685-A779 HydrophobicContact CE-CB 3.65Å; M685-V902 HydrophobicContact SD-CG1 3.67Å; M685-V902 HydrophobicContact SD-CG2 4.26Å; M685-I927 PolarHBondContact N-O 3.23Å; M685-K928 HydrophobicContact CB-CB 4.1Å; M685-K928 HydrophobicContact CB-CG 4.45Å
686M97.3Very high94Very high0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-94.9112.4-171.6-53.1-168.9166.100110.2P684 I688 M705 I706 I718 G721 M932 Y941P684-M686 HydrophobicContact CB-CE 3.63Å; P684-M686 HydrophobicContact CB-CG 3.97Å; P684-M686 HydrophobicContact CG-CE 3.56Å; P684-M686 HydrophobicContact CG-CG 4.46Å; M686-I688 PolarHBondContact O-N 2.85Å; M686-M705 CarbonylContact O-C 3.45Å; M686-M705 WeakPolarHBondContact O-CA 3.46Å; M686-I706 HydrophobicContact CB-CG1 3.94Å; M686-I706 PolarHBondContact N-O 3.38Å; M686-I706 PolarHBondContact O-N 2.95Å; M686-I718 HydrophobicContact CE-CB 4.32Å; M686-I718 HydrophobicContact CE-CG1 3.99Å; M686-G721 VanDerWaalsContact SD-CA 3.55Å; M686-M932 HydrophobicContact CE-SD 4.01Å; M686-M932 HydrophobicContact SD-CG 4.14Å; M686-M932 HydrophobicContact SD-SD 3.97Å; M686-Y941 HydrophobicContact CE-CD1 4.28Å; M686-Y941 HydrophobicContact CE-CE1 3.8Å; M686-Y941 WeakPolarHBondContact CG-OH 3.29Å
687N95.7Very high94Very high0 Ų030.1 Ų30.10%017%0.168CC..EExtended strand (participates in β ladder)trans-67.3127.8173.1-17814.1000110.2I689 N690 F704 M705 E744 S931N687-I689 PolarHBondContact OD1-N 3.39Å; N687-I689 PolarHBondContact OD1-O 2.57Å; N687-N690 VanDerWaalsContact ND2-CG 3.31Å; N687-N690 PolarHBondContact ND2-ND2 2.86Å; N687-N690 PolarHBondContact ND2-OD1 2.87Å; N687-F704 PolarHBondContact OD1-O 3.21Å; N687-M705 HydrophobicContact CB-CG 4.04Å; N687-E744 WeakPolarHBondContact ND2-CB 3.48Å; N687-S931 VanDerWaalsContact O-CA 3.26Å; N687-S931 WeakPolarHBondContact O-CA 3.1Å; N687-S931 WeakPolarHBondContact O-CB 3.34Å; N687-S931 PolarHBondContact O-OG 2.79Å
688I96.1Very high94Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-125.7-18.8-178.957.5169.7000113.5M686 F704 I706 V724 F725 L728 Y747 I761M686-I688 PolarHBondContact O-N 2.85Å; I688-F704 VanDerWaalsContact CG1-O 3.3Å; I688-F704 WeakPolarHBondContact CG1-O 3.49Å; I688-F704 PolarHBondContact N-O 3.18Å; I688-I706 HydrophobicContact CD1-CB 4.36Å; I688-I706 HydrophobicContact CD1-CD1 4.35Å; I688-I706 HydrophobicContact CD1-CG1 4.24Å; I688-I706 HydrophobicContact CD1-CG2 3.4Å; I688-I706 HydrophobicContact CG1-CG2 4.31Å; I688-I706 HydrophobicContact CG2-CD1 3.96Å; I688-I706 HydrophobicContact CG2-CG1 3.96Å; I688-V724 HydrophobicContact CD1-CG1 4.36Å; I688-F725 HydrophobicContact CG2-CD2 4.33Å; I688-L728 HydrophobicContact CB-CD2 3.96Å; I688-L728 HydrophobicContact CD1-CD2 4.11Å; I688-L728 HydrophobicContact CG1-CD2 4.22Å; I688-L728 WeakPolarHBondContact O-CD2 3.36Å; I688-Y747 PolarHBondContact O-N 3.03Å; I688-I761 HydrophobicContact CD1-CB 4.14Å; I688-I761 HydrophobicContact CD1-CD1 3.78Å; I688-I761 HydrophobicContact CD1-CG1 3.57Å; I688-I761 HydrophobicContact CD1-CG2 3.54Å; I688-I761 HydrophobicContact CG1-CD1 3.91Å; I688-I761 HydrophobicContact CG1-CG1 4.14Å
689I96.6Very high94Very high0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-132.7125.3168.8-63.7-178.3000108.9N687 F704 L728 Y747 P749 A757 V760 I761N687-I689 PolarHBondContact OD1-N 3.39Å; N687-I689 PolarHBondContact OD1-O 2.57Å; I689-F704 HydrophobicContact CB-CB 4.19Å; I689-F704 HydrophobicContact CB-CD2 4.31Å; I689-F704 HydrophobicContact CG2-CD2 4.14Å; I689-F704 PolarHBondContact N-O 3.42Å; I689-F704 PolarHBondContact O-N 3.01Å; I689-L728 HydrophobicContact CD1-CD1 4.35Å; I689-L728 HydrophobicContact CD1-CD2 4.16Å; I689-L728 HydrophobicContact CG1-CD2 3.71Å; I689-Y747 CarbonylContact C-O 3.54Å; I689-Y747 VanDerWaalsContact CA-O 3.24Å; I689-Y747 WeakPolarHBondContact CA-O 3.21Å; I689-P749 HydrophobicContact CG2-CG 4.44Å; I689-A757 HydrophobicContact CD1-CB 4.36Å; I689-V760 HydrophobicContact CD1-CG2 3.66Å; I689-I761 HydrophobicContact CD1-CD1 3.91Å; I689-I761 HydrophobicContact CD1-CG1 3.72Å; I689-I761 HydrophobicContact CG1-CD1 4.19Å; I689-I761 HydrophobicContact CG1-CG1 4.24Å
690N94.3Very high93.9Very high0 Ų024.1 Ų24.10%013%0.132CC..EExtended strand (participates in β ladder)trans-94.2141170.2-80.4112.9000110.8N687 H694 A695 N697 Q702 G746 Y747N687-N690 VanDerWaalsContact ND2-CG 3.31Å; N687-N690 PolarHBondContact ND2-ND2 2.86Å; N687-N690 PolarHBondContact ND2-OD1 2.87Å; N690-H694 HydrophobicContact CB-CB 4.38Å; N690-H694 WeakPolarHBondContact ND2-CB 3.48Å; N690-A695 HydrophobicContact CB-CB 3.9Å; N690-N697 PolarHBondContact O-ND2 2.93Å; N690-Q702 WeakPolarHBondContact CA-O 3.13Å; N690-G746 VanDerWaalsContact OD1-CA 3.24Å; N690-G746 WeakPolarHBondContact OD1-CA 3.44Å; N690-G746 PolarHBondContact OD1-N 3.19Å; N690-G746 PolarHBondContact OD1-O 3.28Å; N690-Y747 PolarHBondContact N-O 3.42Å
691G93.6Very high93.8Very high0 Ų023.8 Ų23.80%013%0.13CC..  trans-135.2-160.5164.500000109.8H694 I701 Q702G691-H694 PolarHBondContact O-N 3.48Å; G691-I701 CarbonylContact C-O 3.59Å; G691-I701 VanDerWaalsContact CA-O 3.25Å; G691-I701 WeakPolarHBondContact CA-O 3.5Å; G691-Q702 PolarHBondContact N-O 2.87Å; G691-Q702 WeakPolarHBondContact O-CA 3.38Å
692G91.5Very high93.7Very high22 Ų2224.4 Ų24.423%0.22713%0.133CC..G310 helixtrans53.5-146178.300000112.7H694 A695 V699G692-H694 PolarHBondContact O-N 3.46Å; G692-H694 VanDerWaalsContact O-N 3.1Å; G692-A695 PolarHBondContact O-N 3.25Å; G692-V699 PolarHBondContact N-O 3.44Å
693E86.2Confident93.5Very high139 Ų13924.5 Ų24.565%0.6513%0.133SC*.G310 helixtrans-66-11.9179.8-71.5-66132.400113.9E786E693-E786 HydrophobicContact CG-CG 4.05Å
694H84.3Confident93.5Very high23 Ų2324.6 Ų24.611%0.10613%0.133CC..G310 helixtrans-87.6-0177.5-69.6168.3000114N690 G691 G692 Q702 E703 G742 D743 E744N690-H694 HydrophobicContact CB-CB 4.38Å; N690-H694 WeakPolarHBondContact ND2-CB 3.48Å; G691-H694 PolarHBondContact O-N 3.48Å; G692-H694 PolarHBondContact O-N 3.46Å; G692-H694 VanDerWaalsContact O-N 3.1Å; H694-Q702 HydrophobicContact CB-CG 4.1Å; H694-Q702 PolarHBondContact CD2-NE2 2.96Å; H694-Q702 PolarHBondContact CE1-NE2 3.34Å; H694-Q702 VanDerWaalsContact CE1-NE2 3.28Å; H694-Q702 WeakPolarHBondContact ND1-CG 3.3Å; H694-Q702 PolarHBondContact ND1-NE2 3.39Å; H694-Q702 PolarHBondContact NE2-NE2 3.49Å; H694-Q702 VanDerWaalsContact NE2-NE2 3.11Å; H694-E703 IonicContact CE1-OE1 3.38Å; H694-E703 IonicContact ND1-OE1 3.62Å; H694-E703 PolarHBondContact ND1-OE1 3.14Å; H694-G742 WeakPolarHBondContact O-CA 3.33Å; H694-D743 HydrophobicContact CB-CB 4.38Å; H694-D743 PolarHBondContact O-N 3.29Å; H694-D743 VanDerWaalsContact O-N 3.12Å; H694-E744 IonicContact CE1-OE1 3.51Å; H694-E744 WeakPolarHBondContact ND1-CG 3.49Å
695A88Confident93.5Very high18 Ų1824.6 Ų24.615%0.14913%0.133CC..SBendtrans-149.8144.3179.200000113.3N690 G692 N697 A748N690-A695 HydrophobicContact CB-CB 3.9Å; G692-A695 PolarHBondContact O-N 3.25Å; A695-N697 VanDerWaalsContact C-N 3.26Å; A695-N697 PolarHBondContact O-N 2.85Å; A695-A748 HydrophobicContact CB-CB 3.64Å
696D87.5Confident93.5Very high171 Ų17124.5 Ų24.591%0.91413%0.133SC*.SBendtrans-84.170.5167.8-173.124.2000109.9
697N91.8Very high93.6Very high31 Ų3124.5 Ų24.517%0.16613%0.133CC..SBendtrans-142.5-171.8177.570.416.6000112.2N690 A695 V699 P749 N750N690-N697 PolarHBondContact O-ND2 2.93Å; A695-N697 VanDerWaalsContact C-N 3.26Å; A695-N697 PolarHBondContact O-N 2.85Å; N697-V699 PolarHBondContact OD1-N 3.48Å; N697-V699 VanDerWaalsContact OD1-N 3.14Å; N697-P749 WeakPolarHBondContact CB-O 3.46Å; N697-P749 PolarHBondContact ND2-O 2.98Å; N697-N750 WeakPolarHBondContact CA-OD1 3.28Å; N697-N750 WeakPolarHBondContact CB-OD1 3.06Å
698N92.4Very high93.7Very high69 Ų6924.5 Ų24.537%0.36913%0.133SC..SBendtrans-104.414.8-177.975.6-34.4000114.5N750 L751 G797N698-N750 PolarHBondContact N-OD1 3.16Å; N698-N750 VanDerWaalsContact N-OD1 3.09Å; N698-N750 WeakPolarHBondContact OD1-CA 3.34Å; N698-N750 WeakPolarHBondContact OD1-CB 3.48Å; N698-N750 PolarHBondContact OD1-OD1 3.08Å; N698-L751 VanDerWaalsContact CG-O 3.3Å; N698-L751 PolarHBondContact ND2-O 3Å; N698-L751 PolarHBondContact OD1-N 3.42Å; N698-L751 PolarHBondContact OD1-O 3.41Å; N698-G797 WeakPolarHBondContact O-CA 3.21Å
699V94.3Very high93.8Very high5 Ų525.1 Ų25.13%0.0314%0.137CC..  trans-90.6123.7-179.3-177.50000108.3G692 N697 F704 L751G692-V699 PolarHBondContact N-O 3.44Å; N697-V699 PolarHBondContact OD1-N 3.48Å; N697-V699 VanDerWaalsContact OD1-N 3.14Å; V699-F704 HydrophobicContact CG1-CE2 3.46Å; V699-F704 VanDerWaalsContact CG1-CE2 3.46Å; V699-F704 HydrophobicContact CG1-CZ 3.96Å; V699-L751 HydrophobicContact CG2-CB 4.05Å; V699-L751 HydrophobicContact CG2-CD1 3.98Å; V699-L751 HydrophobicContact CG2-CG 4.21Å
700D94.9Very high93.8Very high21 Ų2127 Ų2711%0.11216%0.156CC..  trans-73.2-41.2-173.3-54.3-73000112.5N754 L795 A796 G797 E798D700-N754 PolarHBondContact N-OD1 2.66Å; D700-N754 PolarHBondContact OD2-ND2 2.95Å; D700-L795 HydrophobicContact CB-CD2 3.81Å; D700-A796 PolarHBondContact OD1-N 2.86Å; D700-G797 VanDerWaalsContact CG-N 3.29Å; D700-G797 PolarHBondContact OD1-N 3.14Å; D700-G797 WeakPolarHBondContact OD2-CA 3.41Å; D700-G797 PolarHBondContact OD2-N 2.8Å; D700-E798 PolarHBondContact OD2-N 2.85Å
701I95.7Very high94Very high0 Ų027.4 Ų27.40%016%0.16CC..SBendtrans-77.2134.9-177-67.2-178.9000110.1G691 F704 N754 M780 D781G691-I701 CarbonylContact C-O 3.59Å; G691-I701 VanDerWaalsContact CA-O 3.25Å; G691-I701 WeakPolarHBondContact CA-O 3.5Å; I701-F704 HydrophobicContact CB-CE1 4.43Å; I701-F704 HydrophobicContact CB-CE2 3.75Å; I701-F704 HydrophobicContact CB-CZ 3.57Å; I701-F704 HydrophobicContact CD1-CZ 4.36Å; I701-F704 HydrophobicContact CG1-CZ 4.44Å; I701-F704 HydrophobicContact CG2-CD2 4.37Å; I701-F704 HydrophobicContact CG2-CE1 4.19Å; I701-F704 HydrophobicContact CG2-CE2 3.77Å; I701-F704 HydrophobicContact CG2-CZ 3.7Å; I701-N754 HydrophobicContact CD1-CB 4.11Å; I701-N754 PolarHBondContact N-OD1 3.04Å; I701-M780 HydrophobicContact CD1-CE 3.14Å; I701-M780 HydrophobicContact CG1-CE 4.38Å; I701-M780 HydrophobicContact CG2-CE 3.97Å; I701-D781 WeakPolarHBondContact CG2-O 3.5Å
702Q94.6Very high94.1Very high13 Ų1335.6 Ų35.66%0.06120%0.195CC..SBendtrans-73.9-40.7-165-167.21371.700114.1N690 G691 H694 D781 A783N690-Q702 WeakPolarHBondContact CA-O 3.13Å; G691-Q702 PolarHBondContact N-O 2.87Å; G691-Q702 WeakPolarHBondContact O-CA 3.38Å; H694-Q702 HydrophobicContact CB-CG 4.1Å; H694-Q702 PolarHBondContact CD2-NE2 2.96Å; H694-Q702 PolarHBondContact CE1-NE2 3.34Å; H694-Q702 VanDerWaalsContact CE1-NE2 3.28Å; H694-Q702 WeakPolarHBondContact ND1-CG 3.3Å; H694-Q702 PolarHBondContact ND1-NE2 3.39Å; H694-Q702 PolarHBondContact NE2-NE2 3.49Å; H694-Q702 VanDerWaalsContact NE2-NE2 3.11Å; Q702-D781 PolarHBondContact N-O 3.03Å; Q702-A783 HydrophobicContact CB-CB 3.92Å; Q702-A783 HydrophobicContact CG-CB 4.39Å
703E95.8Very high94.4Very high2 Ų237.2 Ų37.21%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-139.8135.6177.4-47.4-176.4-176.700112.9H694 M705 E744 M780 D781 K928H694-E703 IonicContact CE1-OE1 3.38Å; H694-E703 IonicContact ND1-OE1 3.62Å; H694-E703 PolarHBondContact ND1-OE1 3.14Å; E703-M705 HydrophobicContact CB-CE 4.49Å; E703-M705 HydrophobicContact CB-CG 4.37Å; E703-E744 WeakPolarHBondContact OE1-CG 3.3Å; E703-M780 WeakPolarHBondContact O-CA 3.38Å; E703-D781 HydrophobicContact CB-CB 3.75Å; E703-D781 HydrophobicContact CG-CB 4.01Å; E703-D781 PolarHBondContact N-O 3.29Å; E703-D781 VanDerWaalsContact N-O 3.07Å; E703-D781 PolarHBondContact O-N 3.04Å; E703-K928 IonicContact OE1-NZ 2.83Å; E703-K928 WeakPolarHBondContact OE2-CE 3.45Å; E703-K928 IonicContact OE2-NZ 3.51Å
704F97.6Very high94.9Very high1 Ų130.6 Ų30.60%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-114.1117.6168-60.5-101000108.8N687 I688 I689 V699 I701 N754 A757 L758 I761 M780N687-F704 PolarHBondContact OD1-O 3.21Å; I688-F704 VanDerWaalsContact CG1-O 3.3Å; I688-F704 WeakPolarHBondContact CG1-O 3.49Å; I688-F704 PolarHBondContact N-O 3.18Å; I689-F704 HydrophobicContact CB-CB 4.19Å; I689-F704 HydrophobicContact CB-CD2 4.31Å; I689-F704 HydrophobicContact CG2-CD2 4.14Å; I689-F704 PolarHBondContact N-O 3.42Å; I689-F704 PolarHBondContact O-N 3.01Å; V699-F704 HydrophobicContact CG1-CE2 3.46Å; V699-F704 VanDerWaalsContact CG1-CE2 3.46Å; V699-F704 HydrophobicContact CG1-CZ 3.96Å; I701-F704 HydrophobicContact CB-CE1 4.43Å; I701-F704 HydrophobicContact CB-CE2 3.75Å; I701-F704 HydrophobicContact CB-CZ 3.57Å; I701-F704 HydrophobicContact CD1-CZ 4.36Å; I701-F704 HydrophobicContact CG1-CZ 4.44Å; I701-F704 HydrophobicContact CG2-CD2 4.37Å; I701-F704 HydrophobicContact CG2-CE1 4.19Å; I701-F704 HydrophobicContact CG2-CE2 3.77Å; I701-F704 HydrophobicContact CG2-CZ 3.7Å; F704-N754 HydrophobicContact CZ-CB 4.18Å; F704-A757 HydrophobicContact CD1-CB 3.95Å; F704-A757 HydrophobicContact CD2-CB 4.03Å; F704-A757 HydrophobicContact CE1-CB 3.73Å; F704-A757 HydrophobicContact CE2-CB 3.85Å; F704-A757 HydrophobicContact CG-CB 4.07Å; F704-A757 HydrophobicContact CZ-CB 3.67Å; F704-L758 HydrophobicContact CD1-CD2 3.71Å; F704-L758 HydrophobicContact CD1-CG 4.02Å; F704-L758 HydrophobicContact CE1-CD2 4.15Å; F704-L758 HydrophobicContact CE1-CG 4.01Å; F704-I761 HydrophobicContact CB-CD1 3.53Å; F704-I761 HydrophobicContact CG-CD1 4.41Å; F704-M780 HydrophobicContact CD1-CE 4.5Å; F704-M780 HydrophobicContact CD1-CG 4.12Å; F704-M780 HydrophobicContact CD1-SD 4.5Å; F704-M780 HydrophobicContact CE1-CE 3.96Å; F704-M780 HydrophobicContact CE1-CG 4.48Å; F704-M780 HydrophobicContact CE1-SD 4.41Å
705M98Very high95.5Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-114.6150.9-169.8-64.9171.7-84.900112M685 M686 N687 E703 L778 A779 D781 K928M685-M705 HydrophobicContact CB-SD 3.93Å; M685-M705 HydrophobicContact CE-CE 4.08Å; M685-M705 HydrophobicContact CE-SD 4.11Å; M686-M705 CarbonylContact O-C 3.45Å; M686-M705 WeakPolarHBondContact O-CA 3.46Å; N687-M705 HydrophobicContact CB-CG 4.04Å; E703-M705 HydrophobicContact CB-CE 4.49Å; E703-M705 HydrophobicContact CB-CG 4.37Å; M705-L778 WeakPolarHBondContact O-CA 3.34Å; M705-A779 HydrophobicContact CB-CB 4.1Å; M705-A779 HydrophobicContact CE-CB 4.14Å; M705-A779 PolarHBondContact N-O 2.9Å; M705-A779 PolarHBondContact O-N 3Å; M705-D781 HydrophobicContact CE-CB 3.97Å; M705-K928 HydrophobicContact SD-CD 3.98Å; M705-K928 HydrophobicContact SD-CG 4.11Å
706I98.3Very high96Very high0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-107.2146.7166.455.7173.7000110.6M686 I688 V724 I761 V765 I776 T777 L778M686-I706 HydrophobicContact CB-CG1 3.94Å; M686-I706 PolarHBondContact N-O 3.38Å; M686-I706 PolarHBondContact O-N 2.95Å; I688-I706 HydrophobicContact CD1-CB 4.36Å; I688-I706 HydrophobicContact CD1-CD1 4.35Å; I688-I706 HydrophobicContact CD1-CG1 4.24Å; I688-I706 HydrophobicContact CD1-CG2 3.4Å; I688-I706 HydrophobicContact CG1-CG2 4.31Å; I688-I706 HydrophobicContact CG2-CD1 3.96Å; I688-I706 HydrophobicContact CG2-CG1 3.96Å; I706-V724 HydrophobicContact CD1-CB 3.7Å; I706-V724 HydrophobicContact CD1-CG1 3.69Å; I706-V724 HydrophobicContact CD1-CG2 4.27Å; I706-I761 HydrophobicContact CG2-CG2 3.81Å; I706-V765 HydrophobicContact CG2-CG2 4.45Å; I706-I776 HydrophobicContact CB-CG2 3.76Å; I706-I776 HydrophobicContact CD1-CD1 4.41Å; I706-I776 HydrophobicContact CG2-CG2 3.75Å; I706-T777 WeakPolarHBondContact CA-O 3.34Å; I706-L778 HydrophobicContact CG2-CD2 3.94Å
707Q98.3Very high96.5Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-125111.1175.6-70.1171-45.900109V683 M685 V709 I776 T777 A779V683-Q707 HydrophobicContact CG1-CB 4.2Å; M685-Q707 HydrophobicContact CG-CG 3.94Å; Q707-V709 HydrophobicContact CB-CG1 4.01Å; Q707-V709 PolarHBondContact O-N 3.34Å; Q707-I776 CarbonylContact O-C 3.52Å; Q707-I776 WeakPolarHBondContact O-CA 3.38Å; Q707-T777 WeakPolarHBondContact CB-OG1 3.37Å; Q707-T777 PolarHBondContact N-O 3.45Å; Q707-T777 PolarHBondContact O-N 3.36Å; Q707-T777 PolarHBondContact OE1-OG1 3.11Å; Q707-A779 HydrophobicContact CG-CB 4.37Å
708P98.3Very high96.8Very high0 Ų027.3 Ų27.30%014%0.144CC..  trans-74.158-179.2-12.928000114.1P684 G710 A711 A717 M720 D775 I776 Y957P684-P708 HydrophobicContact CG-CG 4.24Å; P684-P708 VanDerWaalsContact O-CD 3.31Å; P684-P708 WeakPolarHBondContact O-CD 3.43Å; P708-G710 PolarHBondContact O-N 2.93Å; P708-G710 VanDerWaalsContact O-N 3.12Å; P708-A711 WeakPolarHBondContact O-CB 3.47Å; P708-A711 PolarHBondContact O-N 2.84Å; P708-A717 HydrophobicContact CB-CB 3.79Å; P708-A717 HydrophobicContact CG-CB 4.09Å; P708-A717 VanDerWaalsContact CG-O 3.32Å; P708-A717 WeakPolarHBondContact CG-O 3.1Å; P708-M720 HydrophobicContact CB-CB 4.15Å; P708-M720 HydrophobicContact CB-CE 4.22Å; P708-M720 HydrophobicContact CB-SD 4.1Å; P708-D775 CarbonylContact C-O 3.58Å; P708-I776 HydrophobicContact CB-CD1 4.13Å; P708-I776 HydrophobicContact CG-CD1 4.28Å; P708-Y957 PolarHBondContact O-OH 3.46Å
709V98Very high97.1Very high12 Ų1229.1 Ų29.17%0.07315%0.146CC..THydrogen-bonded Turntrans-64.6-18.1-170.9-64.70000115.4V683 Q707 D775 T777 G959 R960 I963V683-V709 HydrophobicContact CG1-CG1 4.4Å; Q707-V709 HydrophobicContact CB-CG1 4.01Å; Q707-V709 PolarHBondContact O-N 3.34Å; V709-D775 PolarHBondContact N-O 2.73Å; V709-D775 VanDerWaalsContact N-O 3.16Å; V709-T777 VanDerWaalsContact CG1-OG1 3.3Å; V709-T777 WeakPolarHBondContact CG1-OG1 3.25Å; V709-T777 HydrophobicContact CG2-CG2 3.76Å; V709-G959 WeakPolarHBondContact O-CA 3.37Å; V709-R960 HydrophobicContact CB-CB 3.97Å; V709-R960 HydrophobicContact CG1-CB 4.38Å; V709-R960 HydrophobicContact CG2-CB 4.47Å; V709-R960 PolarHBondContact O-N 3.31Å; V709-I963 HydrophobicContact CG1-CD1 3.66Å
710G97.2Very high97.3Very high40 Ų4029.1 Ų29.141%0.41215%0.145SC..THydrogen-bonded Turntrans-88.2-5.4178.500000115P708 D775P708-G710 PolarHBondContact O-N 2.93Å; P708-G710 VanDerWaalsContact O-N 3.12Å; G710-D775 PolarHBondContact N-O 2.97Å
711A97.6Very high97.4Very high9 Ų928.1 Ų28.17%0.07414%0.14CC..  trans-66.2152.5177.700000111.9P708 E716 A717 M720 Y957P708-A711 WeakPolarHBondContact O-CB 3.47Å; P708-A711 PolarHBondContact O-N 2.84Å; A711-E716 HydrophobicContact CB-CB 4.18Å; A711-E716 HydrophobicContact CB-CG 4.05Å; A711-A717 HydrophobicContact CB-CB 3.73Å; A711-M720 HydrophobicContact CB-SD 3.76Å; A711-Y957 HydrophobicContact CB-CD1 4.43Å; A711-Y957 HydrophobicContact CB-CE1 3.85Å; A711-Y957 VanDerWaalsContact O-CD1 3.26Å; A711-Y957 WeakPolarHBondContact O-CD1 3.48Å; A711-Y957 WeakPolarHBondContact O-CE1 3.23Å
712K96Very high97.5Very high172 Ų17229.8 Ų29.875%0.74815%0.151SC*.SBendtrans-90.8-22.9173.9-63.9-176.5-179.6179.80113.3E716K712-E716 PolarHBondContact N-OE2 3.23Å
713T97.2Very high97.7Very high55 Ų5532 Ų3234%0.33716%0.162SC..SBendtrans-140.2159.2-177.877.40000109.8K715 E716 A717 E948T713-K715 VanDerWaalsContact C-N 3.28Å; T713-K715 PolarHBondContact O-N 3.22Å; T713-E716 PolarHBondContact O-N 3.28Å; T713-E716 PolarHBondContact OG1-N 2.83Å; T713-E716 VanDerWaalsContact OG1-N 3.12Å; T713-A717 PolarHBondContact O-N 3.3Å; T713-E948 VanDerWaalsContact CB-OE1 3.26Å; T713-E948 WeakPolarHBondContact CB-OE1 3.46Å
714V97.4Very high97.8Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-66-35176.287.20000111M681 E716 A717 I718 L944 E948 Y957M681-V714 HydrophobicContact CB-CB 4.17Å; M681-V714 HydrophobicContact CE-CB 4.14Å; M681-V714 HydrophobicContact CE-CG1 3.59Å; V714-E716 VanDerWaalsContact C-N 3.28Å; V714-E716 PolarHBondContact O-N 3.09Å; V714-A717 WeakPolarHBondContact O-CB 3.4Å; V714-A717 PolarHBondContact O-N 2.81Å; V714-A717 VanDerWaalsContact O-N 3.15Å; V714-I718 HydrophobicContact CG1-CD1 4.43Å; V714-I718 HydrophobicContact CG2-CD1 4.22Å; V714-I718 VanDerWaalsContact O-CG1 3.29Å; V714-I718 WeakPolarHBondContact O-CG1 3.41Å; V714-I718 PolarHBondContact O-N 2.86Å; V714-L944 HydrophobicContact CG1-CB 4.2Å; V714-L944 HydrophobicContact CG2-CB 4.46Å; V714-L944 HydrophobicContact CG2-CD1 4.37Å; V714-E948 HydrophobicContact CG1-CB 4.06Å; V714-E948 HydrophobicContact CG1-CG 4.5Å; V714-E948 WeakPolarHBondContact CG1-OE1 3.41Å; V714-E948 PolarHBondContact N-OE1 3.41Å; V714-Y957 HydrophobicContact CB-CD2 4.1Å; V714-Y957 HydrophobicContact CB-CE2 4.48Å; V714-Y957 HydrophobicContact CG2-CD2 4.33Å; V714-Y957 HydrophobicContact CG2-CE2 4.3Å
715K97.1Very high97.8Very high102 Ų10232.3 Ų32.344%0.44316%0.163SC..Hα-helixtrans-61.5-39.1175.7-174.9173.7-169.9162.50111.5T713 R719 I945 E948 E949T713-K715 VanDerWaalsContact C-N 3.28Å; T713-K715 PolarHBondContact O-N 3.22Å; K715-R719 PolarHBondContact O-N 3.3Å; K715-R719 VanDerWaalsContact O-N 3.14Å; K715-I945 HydrophobicContact CB-CG1 4.48Å; K715-I945 HydrophobicContact CD-CG2 4.25Å; K715-I945 HydrophobicContact CG-CG2 4.46Å; K715-E948 WeakPolarHBondContact CB-OE2 3.39Å; K715-E948 PolarHBondContact N-OE2 2.97Å; K715-E948 VanDerWaalsContact N-OE2 3.15Å; K715-E949 IonicContact NZ-OE1 2.77Å; K715-E949 PolarHBondContact NZ-OE1 3.4Å
716E97.8Very high97.8Very high61 Ų6137 Ų3729%0.28519%0.185SC..Hα-helixtrans-67.5-44.5171.9-178.7173.6-147.300111.6A711 K712 T713 V714 I718 R719 M720A711-E716 HydrophobicContact CB-CB 4.18Å; A711-E716 HydrophobicContact CB-CG 4.05Å; K712-E716 PolarHBondContact N-OE2 3.23Å; T713-E716 PolarHBondContact O-N 3.28Å; T713-E716 PolarHBondContact OG1-N 2.83Å; T713-E716 VanDerWaalsContact OG1-N 3.12Å; V714-E716 VanDerWaalsContact C-N 3.28Å; V714-E716 PolarHBondContact O-N 3.09Å; E716-I718 VanDerWaalsContact C-N 3.3Å; E716-I718 PolarHBondContact O-N 3.19Å; E716-R719 WeakPolarHBondContact O-CB 3.11Å; E716-R719 PolarHBondContact O-N 3.39Å; E716-R719 VanDerWaalsContact O-N 3.14Å; E716-R719 IonicContact OE1-NH2 2.78Å; E716-M720 HydrophobicContact CG-CG 4.42Å; E716-M720 HydrophobicContact CG-SD 4.25Å; E716-M720 WeakPolarHBondContact O-CG 3.12Å; E716-M720 PolarHBondContact O-N 2.95Å
717A98.2Very high97.8Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-56.3-44.4176.800000112P684 P708 A711 T713 V714 M720 G721 Y957P684-A717 HydrophobicContact CG-CB 4.06Å; P708-A717 HydrophobicContact CB-CB 3.79Å; P708-A717 HydrophobicContact CG-CB 4.09Å; P708-A717 VanDerWaalsContact CG-O 3.32Å; P708-A717 WeakPolarHBondContact CG-O 3.1Å; A711-A717 HydrophobicContact CB-CB 3.73Å; T713-A717 PolarHBondContact O-N 3.3Å; V714-A717 WeakPolarHBondContact O-CB 3.4Å; V714-A717 PolarHBondContact O-N 2.81Å; V714-A717 VanDerWaalsContact O-N 3.15Å; A717-M720 PolarHBondContact O-N 2.73Å; A717-G721 PolarHBondContact O-N 2.78Å; A717-Y957 HydrophobicContact CB-CE2 4.01Å
718I98.2Very high97.8Very high12 Ų1239.4 Ų39.46%0.06220%0.196CC..Hα-helixtrans-65-40.3178-67.6162.9000111.4M686 V714 E716 G721 S722 M932 Y941 I945M686-I718 HydrophobicContact CE-CB 4.32Å; M686-I718 HydrophobicContact CE-CG1 3.99Å; V714-I718 HydrophobicContact CG1-CD1 4.43Å; V714-I718 HydrophobicContact CG2-CD1 4.22Å; V714-I718 VanDerWaalsContact O-CG1 3.29Å; V714-I718 WeakPolarHBondContact O-CG1 3.41Å; V714-I718 PolarHBondContact O-N 2.86Å; E716-I718 VanDerWaalsContact C-N 3.3Å; E716-I718 PolarHBondContact O-N 3.19Å; I718-G721 PolarHBondContact O-N 3Å; I718-S722 PolarHBondContact O-N 2.85Å; I718-M932 HydrophobicContact CG2-CE 3.57Å; I718-M932 HydrophobicContact CG2-SD 4.3Å; I718-Y941 HydrophobicContact CD1-CD1 4.1Å; I718-Y941 HydrophobicContact CD1-CG 4.43Å; I718-Y941 HydrophobicContact CG1-CD1 3.98Å; I718-Y941 HydrophobicContact CG1-CG 4.42Å; I718-I945 HydrophobicContact CD1-CD1 4.04Å; I718-I945 HydrophobicContact CD1-CG1 3.75Å; I718-I945 HydrophobicContact CG2-CD1 4.46Å
719R98.2Very high97.7Very high107 Ų10739.9 Ų39.940%0.40420%0.2SC..Hα-helixtrans-60-49.1173.1179.4-172.265.5783.3111.3K715 E716 G721 S722 E723 Y770K715-R719 PolarHBondContact O-N 3.3Å; K715-R719 VanDerWaalsContact O-N 3.14Å; E716-R719 WeakPolarHBondContact O-CB 3.11Å; E716-R719 PolarHBondContact O-N 3.39Å; E716-R719 VanDerWaalsContact O-N 3.14Å; E716-R719 IonicContact OE1-NH2 2.78Å; R719-G721 VanDerWaalsContact C-N 3.29Å; R719-G721 PolarHBondContact O-N 3.16Å; R719-S722 WeakPolarHBondContact O-CB 3.43Å; R719-S722 PolarHBondContact O-N 2.8Å; R719-E723 WeakPolarHBondContact CG-OE1 3.37Å; R719-E723 IonicContact CZ-OE1 3.58Å; R719-E723 VanDerWaalsContact NH1-CD 3.33Å; R719-E723 IonicContact NH1-OE1 3.19Å; R719-E723 PolarHBondContact NH1-OE1 2.68Å; R719-E723 IonicContact NH1-OE2 3.81Å; R719-E723 PolarHBondContact NH1-OE2 2.8Å; R719-E723 WeakPolarHBondContact O-CG 3.4Å; R719-E723 PolarHBondContact O-N 2.97Å; R719-Y770 PolarHBondContact NH1-OH 2.76Å
720M98.4Very high97.7Very high4 Ų445.3 Ų45.32%0.0222%0.223CC..Hα-helixtrans-56.2-46.8178.4-66.5173.264.500110.8P708 A711 E716 A717 S722 E723 V724 Y770 D775 I776P708-M720 HydrophobicContact CB-CB 4.15Å; P708-M720 HydrophobicContact CB-CE 4.22Å; P708-M720 HydrophobicContact CB-SD 4.1Å; A711-M720 HydrophobicContact CB-SD 3.76Å; E716-M720 HydrophobicContact CG-CG 4.42Å; E716-M720 HydrophobicContact CG-SD 4.25Å; E716-M720 WeakPolarHBondContact O-CG 3.12Å; E716-M720 PolarHBondContact O-N 2.95Å; A717-M720 PolarHBondContact O-N 2.73Å; M720-S722 PolarHBondContact O-N 3.43Å; M720-E723 PolarHBondContact O-N 2.88Å; M720-V724 WeakPolarHBondContact O-CG2 3.4Å; M720-V724 PolarHBondContact O-N 2.91Å; M720-Y770 HydrophobicContact CB-CE1 4.42Å; M720-Y770 HydrophobicContact CB-CE2 4.11Å; M720-Y770 HydrophobicContact CE-CD1 3.74Å; M720-Y770 HydrophobicContact CE-CE1 3.83Å; M720-Y770 HydrophobicContact CE-CG 4.24Å; M720-Y770 HydrophobicContact CG-CE1 3.73Å; M720-Y770 HydrophobicContact CG-CE2 4.25Å; M720-Y770 HydrophobicContact SD-CE1 4.32Å; M720-D775 HydrophobicContact CE-CB 3.91Å; M720-I776 HydrophobicContact CB-CD1 4.45Å; M720-I776 HydrophobicContact CE-CD1 4.12Å; M720-I776 HydrophobicContact CE-CG1 4.12Å
721G97.7Very high97.7Very high0 Ų043.9 Ų43.90%021%0.206CC..Hα-helixtrans-60.5-43.2176.800000114.1M686 A717 I718 R719 E723 V724 F725M686-G721 VanDerWaalsContact SD-CA 3.55Å; A717-G721 PolarHBondContact O-N 2.78Å; I718-G721 PolarHBondContact O-N 3Å; R719-G721 VanDerWaalsContact C-N 3.29Å; R719-G721 PolarHBondContact O-N 3.16Å; G721-E723 PolarHBondContact O-N 3.15Å; G721-V724 PolarHBondContact O-N 2.88Å; G721-F725 WeakPolarHBondContact O-CB 3.46Å; G721-F725 PolarHBondContact O-N 2.88Å
722S97.6Very high97.7Very high35 Ų3543.5 Ų43.525%0.24520%0.203CC..Hα-helixtrans-59.6-44.8175.6-178.80000112.4I718 R719 M720 F725 H726I718-S722 PolarHBondContact O-N 2.85Å; R719-S722 WeakPolarHBondContact O-CB 3.43Å; R719-S722 PolarHBondContact O-N 2.8Å; M720-S722 PolarHBondContact O-N 3.43Å; S722-F725 PolarHBondContact O-N 3.3Å; S722-H726 PolarHBondContact O-CD2 3.43Å; S722-H726 PolarHBondContact O-N 3.27Å
723E98.5Very high97.7Very high61 Ų6141.9 Ų41.929%0.28520%0.196SC..Hα-helixtrans-64.6-45.6179.4-70.4169.7-170.300111R719 M720 G721 F725 H726 H727 A768 Y770R719-E723 WeakPolarHBondContact CG-OE1 3.37Å; R719-E723 IonicContact CZ-OE1 3.58Å; R719-E723 VanDerWaalsContact NH1-CD 3.33Å; R719-E723 IonicContact NH1-OE1 3.19Å; R719-E723 PolarHBondContact NH1-OE1 2.68Å; R719-E723 IonicContact NH1-OE2 3.81Å; R719-E723 PolarHBondContact NH1-OE2 2.8Å; R719-E723 WeakPolarHBondContact O-CG 3.4Å; R719-E723 PolarHBondContact O-N 2.97Å; M720-E723 PolarHBondContact O-N 2.88Å; G721-E723 PolarHBondContact O-N 3.15Å; E723-F725 PolarHBondContact O-N 3.47Å; E723-H726 PolarHBondContact O-N 2.9Å; E723-H727 WeakPolarHBondContact O-CB 3.47Å; E723-H727 PolarHBondContact O-CD2 3.27Å; E723-H727 PolarHBondContact O-N 2.86Å; E723-A768 HydrophobicContact CB-CB 4.32Å; E723-Y770 HydrophobicContact CB-CE2 4.3Å; E723-Y770 WeakPolarHBondContact OE2-CE2 3.49Å; E723-Y770 VanDerWaalsContact OE2-CZ 3.29Å; E723-Y770 PolarHBondContact OE2-OH 3.34Å
724V98.5Very high97.7Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-61.1-45175.71770000111.2I688 I706 M720 G721 H726 H727 L728 A764 V765 A768 Y770 I776I688-V724 HydrophobicContact CD1-CG1 4.36Å; I706-V724 HydrophobicContact CD1-CB 3.7Å; I706-V724 HydrophobicContact CD1-CG1 3.69Å; I706-V724 HydrophobicContact CD1-CG2 4.27Å; M720-V724 WeakPolarHBondContact O-CG2 3.4Å; M720-V724 PolarHBondContact O-N 2.91Å; G721-V724 PolarHBondContact O-N 2.88Å; V724-H726 PolarHBondContact O-N 3.11Å; V724-H727 PolarHBondContact O-N 2.66Å; V724-L728 WeakPolarHBondContact O-CB 3.25Å; V724-L728 PolarHBondContact O-N 3.28Å; V724-A764 HydrophobicContact CG1-CB 4.41Å; V724-V765 HydrophobicContact CG1-CG2 3.78Å; V724-V765 HydrophobicContact CG2-CG2 4.15Å; V724-A768 HydrophobicContact CG2-CB 3.95Å; V724-Y770 HydrophobicContact CG2-CD2 3.93Å; V724-Y770 HydrophobicContact CG2-CE2 4.37Å; V724-I776 HydrophobicContact CG2-CD1 4.16Å
725F97.6Very high97.6Very high8 Ų848 Ų484%0.03524%0.235CC..Hα-helixtrans-56.8-48.2177.6-179.6-107.3000111.8I688 G721 S722 E723 H727 L728 A729 Y747 S931 M932I688-F725 HydrophobicContact CG2-CD2 4.33Å; G721-F725 WeakPolarHBondContact O-CB 3.46Å; G721-F725 PolarHBondContact O-N 2.88Å; S722-F725 PolarHBondContact O-N 3.3Å; E723-F725 PolarHBondContact O-N 3.47Å; F725-H727 PolarHBondContact O-N 3.26Å; F725-L728 PolarHBondContact O-N 3Å; F725-A729 PolarHBondContact O-N 3.18Å; F725-Y747 HydrophobicContact CD1-CE2 4.47Å; F725-Y747 HydrophobicContact CD2-CD2 4.21Å; F725-Y747 AromaticContact CD2-CE2 3.62Å; F725-Y747 HydrophobicContact CD2-CE2 3.62Å; F725-Y747 HydrophobicContact CE1-CE2 4.26Å; F725-Y747 AromaticContact CE1-CZ 3.88Å; F725-Y747 VanDerWaalsContact CE1-OH 3.25Å; F725-Y747 WeakPolarHBondContact CE1-OH 3.43Å; F725-Y747 AromaticContact CE2-CD2 3.83Å; F725-Y747 HydrophobicContact CE2-CD2 3.83Å; F725-Y747 HydrophobicContact CE2-CE1 4.3Å; F725-Y747 AromaticContact CE2-CE2 3.33Å; F725-Y747 HydrophobicContact CE2-CE2 3.33Å; F725-Y747 HydrophobicContact CE2-CG 4.49Å; F725-Y747 AromaticContact CE2-CZ 3.59Å; F725-Y747 HydrophobicContact CG-CE2 4.2Å; F725-Y747 HydrophobicContact CZ-CD2 4.48Å; F725-Y747 HydrophobicContact CZ-CE1 4.03Å; F725-Y747 AromaticContact CZ-CE2 3.69Å; F725-Y747 HydrophobicContact CZ-CE2 3.69Å; F725-Y747 AromaticContact CZ-CZ 3.41Å; F725-Y747 VanDerWaalsContact CZ-CZ 3.41Å; F725-Y747 VanDerWaalsContact CZ-OH 3.27Å; F725-Y747 WeakPolarHBondContact CZ-OH 3.39Å; F725-Y747 WeakPolarHBondContact O-CE2 3.28Å; F725-S931 WeakPolarHBondContact CD2-OG 3.21Å; F725-S931 WeakPolarHBondContact CE2-OG 3.42Å; F725-M932 HydrophobicContact CB-CB 4.2Å; F725-M932 HydrophobicContact CB-CG 4.46Å; F725-M932 HydrophobicContact CD1-CB 3.98Å; F725-M932 HydrophobicContact CG-CB 4.07Å
726H97.5Very high97.5Very high100 Ų10046.5 Ų46.546%0.46325%0.248SC..Hα-helixtrans-68-33.3178-74.2-53.3000113.7S722 E723 V724 A729 K730S722-H726 PolarHBondContact O-CD2 3.43Å; S722-H726 PolarHBondContact O-N 3.27Å; E723-H726 PolarHBondContact O-N 2.9Å; V724-H726 PolarHBondContact O-N 3.11Å; H726-A729 WeakPolarHBondContact O-CB 3.28Å; H726-K730 WeakPolarHBondContact O-CG 3.46Å; H726-K730 PolarHBondContact O-N 3.35Å
727H98.3Very high97.3Very high49 Ų4945.7 Ų45.723%0.22725%0.245CC..Hα-helixtrans-70.8-36.4174.9-85.6-100.4000112.1E723 V724 F725 A729 K730 V731 A767 A768E723-H727 WeakPolarHBondContact O-CB 3.47Å; E723-H727 PolarHBondContact O-CD2 3.27Å; E723-H727 PolarHBondContact O-N 2.86Å; V724-H727 PolarHBondContact O-N 2.66Å; F725-H727 PolarHBondContact O-N 3.26Å; H727-A729 VanDerWaalsContact C-N 3.32Å; H727-A729 PolarHBondContact O-N 3.27Å; H727-K730 WeakPolarHBondContact O-CB 3.35Å; H727-K730 PolarHBondContact O-N 2.81Å; H727-K730 VanDerWaalsContact O-N 3.09Å; H727-V731 WeakPolarHBondContact O-CG2 3.32Å; H727-V731 PolarHBondContact O-N 2.72Å; H727-A767 HydrophobicContact CB-CB 4.33Å; H727-A767 PolarHBondContact CE1-O 3.21Å; H727-A767 VanDerWaalsContact ND1-C 3.35Å; H727-A767 PolarHBondContact ND1-O 3.38Å; H727-A767 VanDerWaalsContact ND1-O 3.14Å; H727-A768 HydrophobicContact CB-CB 4.31Å
728L98.1Very high96.9Very high0 Ų050.1 Ų50.10%027%0.269CS..Hα-helixtrans-59.8-44.1173.4179.560.3000111.1I688 I689 V724 F725 K730 V731 L732 Y747 V760 A764I688-L728 HydrophobicContact CB-CD2 3.96Å; I688-L728 HydrophobicContact CD1-CD2 4.11Å; I688-L728 HydrophobicContact CG1-CD2 4.22Å; I688-L728 WeakPolarHBondContact O-CD2 3.36Å; I689-L728 HydrophobicContact CD1-CD1 4.35Å; I689-L728 HydrophobicContact CD1-CD2 4.16Å; I689-L728 HydrophobicContact CG1-CD2 3.71Å; V724-L728 WeakPolarHBondContact O-CB 3.25Å; V724-L728 PolarHBondContact O-N 3.28Å; F725-L728 PolarHBondContact O-N 3Å; L728-K730 PolarHBondContact O-N 2.86Å; L728-V731 PolarHBondContact O-N 2.84Å; L728-V731 VanDerWaalsContact O-N 3.14Å; L728-L732 HydrophobicContact CD1-CD1 4.21Å; L728-L732 HydrophobicContact CD1-CD2 4.39Å; L728-L732 HydrophobicContact CD1-CG 4.01Å; L728-L732 HydrophobicContact CG-CD1 4.03Å; L728-L732 HydrophobicContact CG-CG 4.28Å; L728-L732 WeakPolarHBondContact O-CG 3.43Å; L728-L732 PolarHBondContact O-N 3.39Å; L728-Y747 HydrophobicContact CB-CD2 4.48Å; L728-Y747 HydrophobicContact CD2-CD2 3.86Å; L728-Y747 HydrophobicContact CG-CD2 4.02Å; L728-V760 HydrophobicContact CD1-CB 4.45Å; L728-V760 HydrophobicContact CD1-CG2 4.3Å; L728-A764 HydrophobicContact CB-CB 3.72Å; L728-A764 HydrophobicContact CD1-CB 4.05Å; L728-A764 HydrophobicContact CG-CB 4.48Å
729A97.4Very high96.7Very high11 Ų1151.5 Ų51.59%0.09128%0.278CS..Hα-helixtrans-55.7-38.9174.600000112.8F725 H726 H727 K733 Y747F725-A729 PolarHBondContact O-N 3.18Å; H726-A729 WeakPolarHBondContact O-CB 3.28Å; H727-A729 VanDerWaalsContact C-N 3.32Å; H727-A729 PolarHBondContact O-N 3.27Å; A729-K733 WeakPolarHBondContact O-CB 3.34Å; A729-K733 VanDerWaalsContact O-CG 3.29Å; A729-K733 WeakPolarHBondContact O-CG 3.36Å; A729-K733 PolarHBondContact O-N 3.38Å; A729-K733 VanDerWaalsContact O-N 3.07Å; A729-Y747 HydrophobicContact CB-CE1 4.34Å; A729-Y747 HydrophobicContact CB-CE2 3.82Å; A729-Y747 VanDerWaalsContact CB-OH 3.29Å; A729-Y747 WeakPolarHBondContact CB-OH 3.44Å
730K97.9Very high96.5Very high125 Ų12548.7 Ų48.754%0.54328%0.278SS..Hα-helixtrans-70.5-43.4177.5-65170.5-170.81680111.4H726 H727 L728 K733 A734H726-K730 WeakPolarHBondContact O-CG 3.46Å; H726-K730 PolarHBondContact O-N 3.35Å; H727-K730 WeakPolarHBondContact O-CB 3.35Å; H727-K730 PolarHBondContact O-N 2.81Å; H727-K730 VanDerWaalsContact O-N 3.09Å; L728-K730 PolarHBondContact O-N 2.86Å; K730-K733 PolarHBondContact O-N 3Å; K730-A734 WeakPolarHBondContact O-CB 3.36Å; K730-A734 PolarHBondContact O-N 3.05Å
731V97.6Very high96.3Very high11 Ų1150.8 Ų50.87%0.06729%0.29CS..Hα-helixtrans-60.3-48.7177170.20000110.6H727 L728 K733 A734 K735 V760 E763 A764H727-V731 WeakPolarHBondContact O-CG2 3.32Å; H727-V731 PolarHBondContact O-N 2.72Å; L728-V731 PolarHBondContact O-N 2.84Å; L728-V731 VanDerWaalsContact O-N 3.14Å; V731-K733 PolarHBondContact O-N 3.14Å; V731-A734 PolarHBondContact O-N 3.24Å; V731-K735 HydrophobicContact CG1-CD 4.36Å; V731-K735 WeakPolarHBondContact O-CG 3.27Å; V731-K735 PolarHBondContact O-N 2.79Å; V731-K735 VanDerWaalsContact O-N 3.14Å; V731-V760 HydrophobicContact CG1-CB 4.46Å; V731-E763 HydrophobicContact CG1-CB 4.32Å; V731-E763 HydrophobicContact CG1-CG 4.16Å; V731-E763 HydrophobicContact CG2-CG 4.12Å; V731-A764 HydrophobicContact CG2-CB 4.42Å
732L97Very high95.9Very high0 Ų051.1 Ų51.10%029%0.294CS..Hα-helixtrans-60.7-47177.6-67176.7000111.5L728 A734 K735 G736 M737 T739 Y747 P749 V760L728-L732 HydrophobicContact CD1-CD1 4.21Å; L728-L732 HydrophobicContact CD1-CD2 4.39Å; L728-L732 HydrophobicContact CD1-CG 4.01Å; L728-L732 HydrophobicContact CG-CD1 4.03Å; L728-L732 HydrophobicContact CG-CG 4.28Å; L728-L732 WeakPolarHBondContact O-CG 3.43Å; L728-L732 PolarHBondContact O-N 3.39Å; L732-A734 VanDerWaalsContact C-N 3.33Å; L732-A734 PolarHBondContact O-N 3.29Å; L732-K735 CarbonylContact O-C 3.51Å; L732-K735 PolarHBondContact O-N 3.08Å; L732-K735 VanDerWaalsContact O-N 3.11Å; L732-G736 PolarHBondContact O-N 2.81Å; L732-M737 HydrophobicContact CB-CB 4.19Å; L732-M737 HydrophobicContact CD2-CB 4.23Å; L732-M737 HydrophobicContact CD2-SD 3.75Å; L732-M737 WeakPolarHBondContact O-CB 3.15Å; L732-M737 PolarHBondContact O-N 3.41Å; L732-T739 HydrophobicContact CB-CG2 3.97Å; L732-T739 HydrophobicContact CD1-CG2 4.49Å; L732-Y747 HydrophobicContact CD1-CD2 4.14Å; L732-Y747 HydrophobicContact CD1-CG 3.98Å; L732-P749 HydrophobicContact CD1-CB 4.42Å; L732-P749 HydrophobicContact CD1-CG 4.21Å; L732-P749 HydrophobicContact CD2-CB 3.99Å; L732-P749 HydrophobicContact CD2-CG 3.94Å; L732-V760 HydrophobicContact CD2-CG2 4.44Å
733K96.3Very high95.3Very high138 Ų13852.5 Ų52.560%0.630%0.298SS*.Hα-helixtrans-59.9-41175.8-79.2176.5-178.7179.90112.8A729 K730 V731 K735 G736 T739A729-K733 WeakPolarHBondContact O-CB 3.34Å; A729-K733 VanDerWaalsContact O-CG 3.29Å; A729-K733 WeakPolarHBondContact O-CG 3.36Å; A729-K733 PolarHBondContact O-N 3.38Å; A729-K733 VanDerWaalsContact O-N 3.07Å; K730-K733 PolarHBondContact O-N 3Å; V731-K733 PolarHBondContact O-N 3.14Å; K733-K735 PolarHBondContact O-N 3.24Å; K733-G736 PolarHBondContact O-N 3.08Å; K733-T739 HydrophobicContact CD-CG2 4.44Å; K733-T739 HydrophobicContact CG-CG2 3.78Å
734A96.5Very high94.8Very high91 Ų9149.9 Ų49.975%0.75229%0.286SS*.Hα-helixtrans-63.8-28.917800000112.5K730 V731 L732 G736K730-A734 WeakPolarHBondContact O-CB 3.36Å; K730-A734 PolarHBondContact O-N 3.05Å; V731-A734 PolarHBondContact O-N 3.24Å; L732-A734 VanDerWaalsContact C-N 3.33Å; L732-A734 PolarHBondContact O-N 3.29Å; A734-G736 VanDerWaalsContact C-N 3.34Å
735K95.8Very high94.5Very high93 Ų9349.9 Ų49.940%0.40429%0.286SS..THydrogen-bonded Turntrans-87.61.9173.9-63.4175.3-163.8-97.20113.6V731 L732 K733 M737 V760 E763V731-K735 HydrophobicContact CG1-CD 4.36Å; V731-K735 WeakPolarHBondContact O-CG 3.27Å; V731-K735 PolarHBondContact O-N 2.79Å; V731-K735 VanDerWaalsContact O-N 3.14Å; L732-K735 CarbonylContact O-C 3.51Å; L732-K735 PolarHBondContact O-N 3.08Å; L732-K735 VanDerWaalsContact O-N 3.11Å; K733-K735 PolarHBondContact O-N 3.24Å; K735-M737 VanDerWaalsContact C-N 3.3Å; K735-M737 HydrophobicContact CB-CE 4.17Å; K735-M737 HydrophobicContact CB-CG 4.09Å; K735-M737 HydrophobicContact CB-SD 3.93Å; K735-M737 HydrophobicContact CD-CE 4.21Å; K735-M737 HydrophobicContact CD-SD 4.15Å; K735-M737 PolarHBondContact O-N 2.96Å; K735-V760 HydrophobicContact CD-CG1 4.21Å; K735-E763 WeakPolarHBondContact CE-OE2 3.46Å; K735-E763 IonicContact NZ-OE2 2.72Å; K735-E763 PolarHBondContact NZ-OE2 2.78Å
736G94.3Very high94.4Very high71 Ų7149.5 Ų49.573%0.73228%0.284SS*.THydrogen-bonded Turntrans72.220.4-177.900000114.3L732 K733 A734L732-G736 PolarHBondContact O-N 2.81Å; K733-G736 PolarHBondContact O-N 3.08Å; A734-G736 VanDerWaalsContact C-N 3.34Å
737M94.3Very high94.4Very high43 Ų4345.6 Ų45.621%0.21227%0.266CS..  trans-90.4158.2-178.3-64.6168.9172.200112L732 K735 P749 L751L732-M737 HydrophobicContact CB-CB 4.19Å; L732-M737 HydrophobicContact CD2-CB 4.23Å; L732-M737 HydrophobicContact CD2-SD 3.75Å; L732-M737 WeakPolarHBondContact O-CB 3.15Å; L732-M737 PolarHBondContact O-N 3.41Å; K735-M737 VanDerWaalsContact C-N 3.3Å; K735-M737 HydrophobicContact CB-CE 4.17Å; K735-M737 HydrophobicContact CB-CG 4.09Å; K735-M737 HydrophobicContact CB-SD 3.93Å; K735-M737 HydrophobicContact CD-CE 4.21Å; K735-M737 HydrophobicContact CD-SD 4.15Å; K735-M737 PolarHBondContact O-N 2.96Å; M737-P749 HydrophobicContact CB-CB 4.09Å; M737-L751 HydrophobicContact CE-CD2 3.71Å; M737-L751 HydrophobicContact SD-CD2 3.68Å
738N89.5Confident94.2Very high94 Ų9443.8 Ų43.850%0.50326%0.259SS..  trans-66144.7178-1680.9000111.4A740N738-A740 WeakPolarHBondContact OD1-CB 3.25Å; N738-A740 PolarHBondContact OD1-N 3.05Å
739T93.9Very high94.2Very high40 Ų4043.8 Ų43.825%0.24526%0.259CS..  trans-122.923.7172.565.20000112.5L732 K733 Y747L732-T739 HydrophobicContact CB-CG2 3.97Å; L732-T739 HydrophobicContact CD1-CG2 4.49Å; K733-T739 HydrophobicContact CD-CG2 4.44Å; K733-T739 HydrophobicContact CG-CG2 3.78Å; T739-Y747 WeakPolarHBondContact O-CD1 3.47Å; T739-Y747 WeakPolarHBondContact O-CE1 3.34Å
740A94.1Very high94Very high49 Ų4948 Ų4841%0.40528%0.28SS..  trans-62.815316100000109.4N738 Y747 A748N738-A740 WeakPolarHBondContact OD1-CB 3.25Å; N738-A740 PolarHBondContact OD1-N 3.05Å; A740-Y747 CarbonylContact O-C 3.58Å; A740-Y747 WeakPolarHBondContact O-CA 3.07Å; A740-A748 PolarHBondContact O-N 3.15Å
741V93.1Very high93.9Very high48 Ų4842.4 Ų42.429%0.29126%0.256SS..BIsolated β-bridgetrans-107.3144.7179.7-63.40000110.6G745 G746 Y747V741-G745 WeakPolarHBondContact CG1-O 3.42Å; V741-G746 CarbonylContact C-O 3.59Å; V741-G746 WeakPolarHBondContact CA-O 3.38Å; V741-G746 WeakPolarHBondContact CB-O 3.43Å; V741-Y747 HydrophobicContact CG1-CD1 3.85Å; V741-Y747 HydrophobicContact CG1-CE1 3.97Å
742G90.2Very high93.5Very high7 Ų744.5 Ų44.57%0.07228%0.28CS..  trans-75.5-167.8173.600000113H694 E744 G745 G746 R934H694-G742 WeakPolarHBondContact O-CA 3.33Å; G742-E744 VanDerWaalsContact C-N 3.27Å; G742-E744 PolarHBondContact O-N 2.79Å; G742-G745 PolarHBondContact O-N 3.46Å; G742-G746 PolarHBondContact N-O 3.21Å; G742-R934 PolarHBondContact O-NH2 3.26Å
743D85.5Confident93.4Very high63 Ų6346 Ų4634%0.33729%0.291SS..THydrogen-bonded Turntrans-60.3-37.5-179.3-85.18.2000112.1H694 G745H694-D743 HydrophobicContact CB-CB 4.38Å; H694-D743 PolarHBondContact O-N 3.29Å; H694-D743 VanDerWaalsContact O-N 3.12Å; D743-G745 VanDerWaalsContact C-N 3.34Å
744E88.4Confident93.2Very high6 Ų639.5 Ų39.53%0.02826%0.262CS..THydrogen-bonded Turntrans-95.29.4-177-51.9-66.3-16900113.8N687 H694 E703 G742 G746 H905 S907 S931 R937N687-E744 WeakPolarHBondContact ND2-CB 3.48Å; H694-E744 IonicContact CE1-OE1 3.51Å; H694-E744 WeakPolarHBondContact ND1-CG 3.49Å; E703-E744 WeakPolarHBondContact OE1-CG 3.3Å; G742-E744 VanDerWaalsContact C-N 3.27Å; G742-E744 PolarHBondContact O-N 2.79Å; E744-G746 VanDerWaalsContact C-N 3.31Å; E744-G746 PolarHBondContact O-N 3.38Å; E744-H905 IonicContact OE1-CD2 3.45Å; E744-H905 IonicContact OE1-NE2 3.9Å; E744-H905 PolarHBondContact OE1-NE2 3.42Å; E744-H905 IonicContact OE2-CD2 3.74Å; E744-H905 PolarHBondContact OE2-CD2 2.88Å; E744-H905 IonicContact OE2-NE2 2.68Å; E744-H905 PolarHBondContact OE2-NE2 3.48Å; E744-S907 WeakPolarHBondContact OE1-CA 3.46Å; E744-S907 WeakPolarHBondContact OE1-CB 3.44Å; E744-S907 PolarHBondContact OE1-N 2.96Å; E744-S931 WeakPolarHBondContact O-CB 3.2Å; E744-S931 PolarHBondContact O-N 3.28Å; E744-R937 IonicContact OE2-CZ 3.95Å; E744-R937 IonicContact OE2-NE 2.73Å; E744-R937 PolarHBondContact OE2-NE 3.44Å; E744-R937 IonicContact OE2-NH1 3.5Å; E744-R937 IonicContact OE2-NH2 2.79Å; E744-R937 PolarHBondContact OE2-NH2 2.93Å
745G92.2Very high93.2Very high0 Ų036.2 Ų36.20%024%0.236CC..SBendtrans81.60.2173.400000115.2V741 G742 D743 S931 S933V741-G745 WeakPolarHBondContact CG1-O 3.42Å; G742-G745 PolarHBondContact O-N 3.46Å; D743-G745 VanDerWaalsContact C-N 3.34Å; G745-S931 WeakPolarHBondContact O-CB 3.37Å; G745-S931 PolarHBondContact O-OG 3.43Å; G745-S933 VanDerWaalsContact CA-OG 3.3Å; G745-S933 WeakPolarHBondContact CA-OG 3.38Å; G745-S933 PolarHBondContact O-OG 3.39Å
746G94.9Very high93.2Very high0 Ų034.7 Ų34.70%023%0.23CC..  trans-71.9155.3169.300000111N690 V741 G742 E744N690-G746 VanDerWaalsContact OD1-CA 3.24Å; N690-G746 WeakPolarHBondContact OD1-CA 3.44Å; N690-G746 PolarHBondContact OD1-N 3.19Å; N690-G746 PolarHBondContact OD1-O 3.28Å; V741-G746 CarbonylContact C-O 3.59Å; V741-G746 WeakPolarHBondContact CA-O 3.38Å; V741-G746 WeakPolarHBondContact CB-O 3.43Å; G742-G746 PolarHBondContact N-O 3.21Å; E744-G746 VanDerWaalsContact C-N 3.31Å; E744-G746 PolarHBondContact O-N 3.38Å
747Y96.5Very high93.2Very high19 Ų1931.3 Ų31.38%0.07520%0.195CC..BIsolated β-bridgetrans-68.4145.6176.9-67.2-62.7000111.4I688 I689 N690 F725 L728 A729 L732 T739 A740 V741 P749I688-Y747 PolarHBondContact O-N 3.03Å; I689-Y747 CarbonylContact C-O 3.54Å; I689-Y747 VanDerWaalsContact CA-O 3.24Å; I689-Y747 WeakPolarHBondContact CA-O 3.21Å; N690-Y747 PolarHBondContact N-O 3.42Å; F725-Y747 HydrophobicContact CD1-CE2 4.47Å; F725-Y747 HydrophobicContact CD2-CD2 4.21Å; F725-Y747 AromaticContact CD2-CE2 3.62Å; F725-Y747 HydrophobicContact CD2-CE2 3.62Å; F725-Y747 HydrophobicContact CE1-CE2 4.26Å; F725-Y747 AromaticContact CE1-CZ 3.88Å; F725-Y747 VanDerWaalsContact CE1-OH 3.25Å; F725-Y747 WeakPolarHBondContact CE1-OH 3.43Å; F725-Y747 AromaticContact CE2-CD2 3.83Å; F725-Y747 HydrophobicContact CE2-CD2 3.83Å; F725-Y747 HydrophobicContact CE2-CE1 4.3Å; F725-Y747 AromaticContact CE2-CE2 3.33Å; F725-Y747 HydrophobicContact CE2-CE2 3.33Å; F725-Y747 HydrophobicContact CE2-CG 4.49Å; F725-Y747 AromaticContact CE2-CZ 3.59Å; F725-Y747 HydrophobicContact CG-CE2 4.2Å; F725-Y747 HydrophobicContact CZ-CD2 4.48Å; F725-Y747 HydrophobicContact CZ-CE1 4.03Å; F725-Y747 AromaticContact CZ-CE2 3.69Å; F725-Y747 HydrophobicContact CZ-CE2 3.69Å; F725-Y747 AromaticContact CZ-CZ 3.41Å; F725-Y747 VanDerWaalsContact CZ-CZ 3.41Å; F725-Y747 VanDerWaalsContact CZ-OH 3.27Å; F725-Y747 WeakPolarHBondContact CZ-OH 3.39Å; F725-Y747 WeakPolarHBondContact O-CE2 3.28Å; L728-Y747 HydrophobicContact CB-CD2 4.48Å; L728-Y747 HydrophobicContact CD2-CD2 3.86Å; L728-Y747 HydrophobicContact CG-CD2 4.02Å; A729-Y747 HydrophobicContact CB-CE1 4.34Å; A729-Y747 HydrophobicContact CB-CE2 3.82Å; A729-Y747 VanDerWaalsContact CB-OH 3.29Å; A729-Y747 WeakPolarHBondContact CB-OH 3.44Å; L732-Y747 HydrophobicContact CD1-CD2 4.14Å; L732-Y747 HydrophobicContact CD1-CG 3.98Å; T739-Y747 WeakPolarHBondContact O-CD1 3.47Å; T739-Y747 WeakPolarHBondContact O-CE1 3.34Å; A740-Y747 CarbonylContact O-C 3.58Å; A740-Y747 WeakPolarHBondContact O-CA 3.07Å; V741-Y747 HydrophobicContact CG1-CD1 3.85Å; V741-Y747 HydrophobicContact CG1-CE1 3.97Å; Y747-P749 WeakPolarHBondContact O-CD 3.25Å
748A95.7Very high93.4Very high10 Ų1029.3 Ų29.38%0.08319%0.185CC..  trans-116.366.5-178.800000112.1A695 A740A695-A748 HydrophobicContact CB-CB 3.64Å; A740-A748 PolarHBondContact O-N 3.15Å
749P96.2Very high93.7Very high0 Ų026.7 Ų26.70%018%0.177CC..  trans-78.4158.917534.9-35.2000111.5I689 N697 L732 M737 Y747 L751I689-P749 HydrophobicContact CG2-CG 4.44Å; N697-P749 WeakPolarHBondContact CB-O 3.46Å; N697-P749 PolarHBondContact ND2-O 2.98Å; L732-P749 HydrophobicContact CD1-CB 4.42Å; L732-P749 HydrophobicContact CD1-CG 4.21Å; L732-P749 HydrophobicContact CD2-CB 3.99Å; L732-P749 HydrophobicContact CD2-CG 3.94Å; M737-P749 HydrophobicContact CB-CB 4.09Å; Y747-P749 WeakPolarHBondContact O-CD 3.25Å; P749-L751 HydrophobicContact CB-CD2 4.4Å; P749-L751 HydrophobicContact CB-CG 4.38Å; P749-L751 HydrophobicContact CG-CD1 4Å; P749-L751 HydrophobicContact CG-CD2 4.25Å; P749-L751 HydrophobicContact CG-CG 4Å
750N95Very high93.9Very high100 Ų10024.9 Ų24.954%0.53517%0.166SC..  trans-83.1136.1159.5-73.3-46.9000109.5N697 N698N697-N750 WeakPolarHBondContact CA-OD1 3.28Å; N697-N750 WeakPolarHBondContact CB-OD1 3.06Å; N698-N750 PolarHBondContact N-OD1 3.16Å; N698-N750 VanDerWaalsContact N-OD1 3.09Å; N698-N750 WeakPolarHBondContact OD1-CA 3.34Å; N698-N750 WeakPolarHBondContact OD1-CB 3.48Å; N698-N750 PolarHBondContact OD1-OD1 3.08Å
751L94.2Very high94Very high7 Ų722.6 Ų22.64%0.03715%0.146CC..  trans-136.6154.1-176.5-61.6171.4000110.4N698 V699 M737 P749 S753 E756 A757N698-L751 VanDerWaalsContact CG-O 3.3Å; N698-L751 PolarHBondContact ND2-O 3Å; N698-L751 PolarHBondContact OD1-N 3.42Å; N698-L751 PolarHBondContact OD1-O 3.41Å; V699-L751 HydrophobicContact CG2-CB 4.05Å; V699-L751 HydrophobicContact CG2-CD1 3.98Å; V699-L751 HydrophobicContact CG2-CG 4.21Å; M737-L751 HydrophobicContact CE-CD2 3.71Å; M737-L751 HydrophobicContact SD-CD2 3.68Å; P749-L751 HydrophobicContact CB-CD2 4.4Å; P749-L751 HydrophobicContact CB-CG 4.38Å; P749-L751 HydrophobicContact CG-CD1 4Å; P749-L751 HydrophobicContact CG-CD2 4.25Å; P749-L751 HydrophobicContact CG-CG 4Å; L751-S753 VanDerWaalsContact C-N 3.33Å; L751-S753 PolarHBondContact O-N 3.15Å; L751-E756 HydrophobicContact CB-CB 4.39Å; L751-E756 HydrophobicContact CD2-CG 4.25Å; L751-A757 HydrophobicContact CD1-CB 3.58Å
752G90.2Very high94.3Very high56 Ų5621.5 Ų21.558%0.57714%0.143SC*.SBendtrans-74.8-16.3-177.700000115.2E756G752-E756 VanDerWaalsContact CA-OE2 3.26Å; G752-E756 WeakPolarHBondContact CA-OE2 3.37Å; G752-E756 PolarHBondContact N-OE2 3.39Å
753S93.7Very high94.6Very high31 Ų3125.5 Ų25.522%0.21716%0.159CC..  trans-166.2167.9177.266.40000111.5L751 A755 E756 E798L751-S753 VanDerWaalsContact C-N 3.33Å; L751-S753 PolarHBondContact O-N 3.15Å; S753-A755 VanDerWaalsContact C-N 3.25Å; S753-A755 PolarHBondContact O-N 3.25Å; S753-A755 PolarHBondContact OG-N 2.83Å; S753-E756 WeakPolarHBondContact O-CB 3.37Å; S753-E756 PolarHBondContact O-N 3.1Å; S753-E756 PolarHBondContact OG-N 2.55Å; S753-E798 VanDerWaalsContact CB-OE1 3.32Å; S753-E798 WeakPolarHBondContact CB-OE1 3.5Å
754N94.1Very high95.2Very high1 Ų122.5 Ų22.51%0.00514%0.143CC..Hα-helixtrans-65.7-32.8172.1-66.6-66.2000111.2D700 I701 F704 E756 A757 E798D700-N754 PolarHBondContact N-OD1 2.66Å; D700-N754 PolarHBondContact OD2-ND2 2.95Å; I701-N754 HydrophobicContact CD1-CB 4.11Å; I701-N754 PolarHBondContact N-OD1 3.04Å; F704-N754 HydrophobicContact CZ-CB 4.18Å; N754-E756 VanDerWaalsContact C-N 3.29Å; N754-E756 PolarHBondContact O-N 3.37Å; N754-A757 WeakPolarHBondContact O-CB 3.41Å; N754-A757 PolarHBondContact O-N 3.14Å; N754-E798 PolarHBondContact N-OE1 2.8Å; N754-E798 WeakPolarHBondContact ND2-CG 3.09Å; N754-E798 PolarHBondContact ND2-OE1 3.39Å
755A95Very high95.7Very high23 Ų2322.2 Ų22.219%0.1914%0.142CC..Hα-helixtrans-66.1-30.1174.300000112.7S753 A757 L758 A759 L815 Y819S753-A755 VanDerWaalsContact C-N 3.25Å; S753-A755 PolarHBondContact O-N 3.25Å; S753-A755 PolarHBondContact OG-N 2.83Å; A755-A757 VanDerWaalsContact C-N 3.32Å; A755-L758 PolarHBondContact O-N 3.14Å; A755-A759 PolarHBondContact O-N 3.22Å; A755-L815 HydrophobicContact CB-CD2 4.04Å; A755-Y819 HydrophobicContact CB-CE2 4.49Å; A755-Y819 PolarHBondContact O-OH 2.93Å
756E95.4Very high96Very high61 Ų6130.1 Ų30.129%0.28518%0.176SC..Hα-helixtrans-67.6-33.3175.7-169.9174.9-176.800111.9L751 G752 S753 N754 L758 A759 V760L751-E756 HydrophobicContact CB-CB 4.39Å; L751-E756 HydrophobicContact CD2-CG 4.25Å; G752-E756 VanDerWaalsContact CA-OE2 3.26Å; G752-E756 WeakPolarHBondContact CA-OE2 3.37Å; G752-E756 PolarHBondContact N-OE2 3.39Å; S753-E756 WeakPolarHBondContact O-CB 3.37Å; S753-E756 PolarHBondContact O-N 3.1Å; S753-E756 PolarHBondContact OG-N 2.55Å; N754-E756 VanDerWaalsContact C-N 3.29Å; N754-E756 PolarHBondContact O-N 3.37Å; E756-L758 VanDerWaalsContact C-N 3.34Å; E756-L758 PolarHBondContact O-N 3.2Å; E756-A759 WeakPolarHBondContact O-CB 3.26Å; E756-A759 PolarHBondContact O-N 3.43Å; E756-A759 VanDerWaalsContact O-N 3.17Å; E756-V760 WeakPolarHBondContact O-CG2 3.04Å; E756-V760 PolarHBondContact O-N 3.32Å
757A96Very high96.1Very high0 Ų032.6 Ų32.60%020%0.196CC..Hα-helixtrans-58.1-47172.900000111.4I689 F704 L751 N754 A755 A759 V760 I761I689-A757 HydrophobicContact CD1-CB 4.36Å; F704-A757 HydrophobicContact CD1-CB 3.95Å; F704-A757 HydrophobicContact CD2-CB 4.03Å; F704-A757 HydrophobicContact CE1-CB 3.73Å; F704-A757 HydrophobicContact CE2-CB 3.85Å; F704-A757 HydrophobicContact CG-CB 4.07Å; F704-A757 HydrophobicContact CZ-CB 3.67Å; L751-A757 HydrophobicContact CD1-CB 3.58Å; N754-A757 WeakPolarHBondContact O-CB 3.41Å; N754-A757 PolarHBondContact O-N 3.14Å; A755-A757 VanDerWaalsContact C-N 3.32Å; A757-A759 VanDerWaalsContact C-N 3.32Å; A757-A759 PolarHBondContact O-N 2.98Å; A757-V760 WeakPolarHBondContact O-CG2 3.5Å; A757-V760 PolarHBondContact O-N 2.92Å; A757-I761 VanDerWaalsContact O-CG1 3.25Å; A757-I761 WeakPolarHBondContact O-CG1 3.3Å; A757-I761 PolarHBondContact O-N 3.46Å; A757-I761 VanDerWaalsContact O-N 3.13Å
758L97.1Very high96.2Very high1 Ų132.5 Ų32.51%0.00520%0.2CC..Hα-helixtrans-63.2-39175.9-61165.8000111.7F704 A755 E756 I761 A762 L778 M780 L815 Y819 I821F704-L758 HydrophobicContact CD1-CD2 3.71Å; F704-L758 HydrophobicContact CD1-CG 4.02Å; F704-L758 HydrophobicContact CE1-CD2 4.15Å; F704-L758 HydrophobicContact CE1-CG 4.01Å; A755-L758 PolarHBondContact O-N 3.14Å; E756-L758 VanDerWaalsContact C-N 3.34Å; E756-L758 PolarHBondContact O-N 3.2Å; L758-I761 PolarHBondContact O-N 3.23Å; L758-A762 WeakPolarHBondContact O-CB 3.2Å; L758-A762 PolarHBondContact O-N 3.39Å; L758-L778 HydrophobicContact CD2-CD1 3.9Å; L758-M780 HydrophobicContact CD1-SD 4.19Å; L758-M780 HydrophobicContact CD2-CG 4.42Å; L758-M780 HydrophobicContact CD2-SD 3.98Å; L758-L815 HydrophobicContact CD1-CD2 4.23Å; L758-Y819 HydrophobicContact CB-CD1 3.82Å; L758-Y819 HydrophobicContact CB-CD2 3.87Å; L758-Y819 HydrophobicContact CB-CE1 3.87Å; L758-Y819 HydrophobicContact CB-CE2 3.91Å; L758-Y819 HydrophobicContact CB-CG 3.83Å; L758-Y819 HydrophobicContact CD1-CD2 3.56Å; L758-Y819 HydrophobicContact CD1-CE2 4Å; L758-Y819 HydrophobicContact CD1-CG 4.03Å; L758-Y819 HydrophobicContact CG-CD2 4.34Å; L758-Y819 HydrophobicContact CG-CG 4.46Å; L758-I821 HydrophobicContact CD1-CD1 3.9Å; L758-I821 HydrophobicContact CD2-CD1 4.35Å; L758-I821 HydrophobicContact CD2-CG1 4.35Å
759A96.7Very high96.3Very high39 Ų3935.1 Ų35.132%0.32223%0.228SC..Hα-helixtrans-64.8-43.8178.600000113A755 E756 A757 I761 A762 E763A755-A759 PolarHBondContact O-N 3.22Å; E756-A759 WeakPolarHBondContact O-CB 3.26Å; E756-A759 PolarHBondContact O-N 3.43Å; E756-A759 VanDerWaalsContact O-N 3.17Å; A757-A759 VanDerWaalsContact C-N 3.32Å; A757-A759 PolarHBondContact O-N 2.98Å; A759-I761 VanDerWaalsContact C-N 3.33Å; A759-A762 WeakPolarHBondContact O-CB 3.39Å; A759-A762 PolarHBondContact O-N 2.74Å; A759-E763 PolarHBondContact O-N 3Å
760V97Very high96.4Very high2 Ų236.7 Ų36.71%0.01223%0.234CC..Hα-helixtrans-69.7-32.2178.1-64.60000112I689 L728 V731 L732 K735 E756 A757 E763 A764I689-V760 HydrophobicContact CD1-CG2 3.66Å; L728-V760 HydrophobicContact CD1-CB 4.45Å; L728-V760 HydrophobicContact CD1-CG2 4.3Å; V731-V760 HydrophobicContact CG1-CB 4.46Å; L732-V760 HydrophobicContact CD2-CG2 4.44Å; K735-V760 HydrophobicContact CD-CG1 4.21Å; E756-V760 WeakPolarHBondContact O-CG2 3.04Å; E756-V760 PolarHBondContact O-N 3.32Å; A757-V760 WeakPolarHBondContact O-CG2 3.5Å; A757-V760 PolarHBondContact O-N 2.92Å; V760-E763 PolarHBondContact O-N 3.23Å; V760-A764 PolarHBondContact O-N 2.84Å
761I97.7Very high96.6Very high0 Ų037.2 Ų37.20%023%0.233CC..Hα-helixtrans-64.6-45.2171.2-67.8169.1000110.3I688 I689 F704 I706 A757 L758 A759 E763 A764 V765 L778I688-I761 HydrophobicContact CD1-CB 4.14Å; I688-I761 HydrophobicContact CD1-CD1 3.78Å; I688-I761 HydrophobicContact CD1-CG1 3.57Å; I688-I761 HydrophobicContact CD1-CG2 3.54Å; I688-I761 HydrophobicContact CG1-CD1 3.91Å; I688-I761 HydrophobicContact CG1-CG1 4.14Å; I689-I761 HydrophobicContact CD1-CD1 3.91Å; I689-I761 HydrophobicContact CD1-CG1 3.72Å; I689-I761 HydrophobicContact CG1-CD1 4.19Å; I689-I761 HydrophobicContact CG1-CG1 4.24Å; F704-I761 HydrophobicContact CB-CD1 3.53Å; F704-I761 HydrophobicContact CG-CD1 4.41Å; I706-I761 HydrophobicContact CG2-CG2 3.81Å; A757-I761 VanDerWaalsContact O-CG1 3.25Å; A757-I761 WeakPolarHBondContact O-CG1 3.3Å; A757-I761 PolarHBondContact O-N 3.46Å; A757-I761 VanDerWaalsContact O-N 3.13Å; L758-I761 PolarHBondContact O-N 3.23Å; A759-I761 VanDerWaalsContact C-N 3.33Å; I761-E763 VanDerWaalsContact C-N 3.28Å; I761-E763 PolarHBondContact O-N 3.5Å; I761-A764 WeakPolarHBondContact O-CB 3.48Å; I761-A764 PolarHBondContact O-N 3.17Å; I761-A764 VanDerWaalsContact O-N 3.08Å; I761-V765 HydrophobicContact CG2-CG2 4.21Å; I761-V765 WeakPolarHBondContact O-CG2 3.4Å; I761-V765 PolarHBondContact O-N 2.88Å; I761-L778 HydrophobicContact CG2-CD2 3.59Å
762A97.9Very high96.7Very high26 Ų2639.1 Ų39.122%0.21524%0.243CC..Hα-helixtrans-58.8-40.8176.700000112L758 A759 K766 L772L758-A762 WeakPolarHBondContact O-CB 3.2Å; L758-A762 PolarHBondContact O-N 3.39Å; A759-A762 WeakPolarHBondContact O-CB 3.39Å; A759-A762 PolarHBondContact O-N 2.74Å; A762-K766 WeakPolarHBondContact O-CB 3.09Å; A762-K766 PolarHBondContact O-N 2.92Å; A762-K766 VanDerWaalsContact O-N 3.09Å; A762-L772 HydrophobicContact CB-CD2 3.7Å
763E97.9Very high97Very high90 Ų9037.6 Ų37.642%0.42123%0.227SC..Hα-helixtrans-61.4-43.4173.7-169.5179.4159.300111.5V731 K735 A759 V760 I761 A767V731-E763 HydrophobicContact CG1-CB 4.32Å; V731-E763 HydrophobicContact CG1-CG 4.16Å; V731-E763 HydrophobicContact CG2-CG 4.12Å; K735-E763 WeakPolarHBondContact CE-OE2 3.46Å; K735-E763 IonicContact NZ-OE2 2.72Å; K735-E763 PolarHBondContact NZ-OE2 2.78Å; A759-E763 PolarHBondContact O-N 3Å; V760-E763 PolarHBondContact O-N 3.23Å; I761-E763 VanDerWaalsContact C-N 3.28Å; I761-E763 PolarHBondContact O-N 3.5Å; E763-A767 VanDerWaalsContact O-CB 3.31Å; E763-A767 WeakPolarHBondContact O-CB 3.48Å; E763-A767 PolarHBondContact O-N 2.81Å
764A98.1Very high97.2Very high0 Ų042 Ų420%024%0.243CC..Hα-helixtrans-65.9-43.617800000113.1V724 L728 V731 V760 I761 K766 A767 A768V724-A764 HydrophobicContact CG1-CB 4.41Å; L728-A764 HydrophobicContact CB-CB 3.72Å; L728-A764 HydrophobicContact CD1-CB 4.05Å; L728-A764 HydrophobicContact CG-CB 4.48Å; V731-A764 HydrophobicContact CG2-CB 4.42Å; V760-A764 PolarHBondContact O-N 2.84Å; I761-A764 WeakPolarHBondContact O-CB 3.48Å; I761-A764 PolarHBondContact O-N 3.17Å; I761-A764 VanDerWaalsContact O-N 3.08Å; A764-K766 PolarHBondContact O-N 2.84Å; A764-A767 PolarHBondContact O-N 3.41Å; A764-A768 PolarHBondContact O-N 2.88Å
765V98.5Very high97.4Very high0 Ų043.9 Ų43.90%025%0.253CS..Hα-helixtrans-58.8-47.8176.41690000110.4I706 V724 I761 A767 A768 G769 Y770 L772 I776I706-V765 HydrophobicContact CG2-CG2 4.45Å; V724-V765 HydrophobicContact CG1-CG2 3.78Å; V724-V765 HydrophobicContact CG2-CG2 4.15Å; I761-V765 HydrophobicContact CG2-CG2 4.21Å; I761-V765 WeakPolarHBondContact O-CG2 3.4Å; I761-V765 PolarHBondContact O-N 2.88Å; V765-A767 VanDerWaalsContact C-N 3.34Å; V765-A767 PolarHBondContact O-N 3.49Å; V765-A768 PolarHBondContact O-N 3.42Å; V765-G769 PolarHBondContact O-N 2.84Å; V765-Y770 PolarHBondContact O-N 3.07Å; V765-Y770 VanDerWaalsContact O-N 3.15Å; V765-L772 HydrophobicContact CB-CD1 4.23Å; V765-L772 HydrophobicContact CG1-CB 4.13Å; V765-L772 HydrophobicContact CG1-CD1 4.04Å; V765-L772 HydrophobicContact CG2-CD1 3.99Å; V765-I776 HydrophobicContact CG1-CB 4.03Å; V765-I776 HydrophobicContact CG1-CG1 4.15Å; V765-I776 HydrophobicContact CG1-CG2 4.45Å; V765-I776 HydrophobicContact CG2-CB 4.38Å; V765-I776 HydrophobicContact CG2-CG2 3.94Å
766K98.2Very high97.5Very high167 Ų16742.8 Ų42.873%0.72624%0.244SC*.Hα-helixtrans-62-41.8175.4-176.2177.9-179.8178.60111.9A762 A764 A768 G769A762-K766 WeakPolarHBondContact O-CB 3.09Å; A762-K766 PolarHBondContact O-N 2.92Å; A762-K766 VanDerWaalsContact O-N 3.09Å; A764-K766 PolarHBondContact O-N 2.84Å; K766-A768 VanDerWaalsContact C-N 3.26Å; K766-A768 PolarHBondContact O-N 3.48Å; K766-G769 PolarHBondContact O-N 3.34Å
767A97.8Very high97.7Very high51 Ų5140 Ų4042%0.42123%0.23SC..Hα-helixtrans-66.3-28179.200000113H727 E763 A764 V765 G769H727-A767 HydrophobicContact CB-CB 4.33Å; H727-A767 PolarHBondContact CE1-O 3.21Å; H727-A767 VanDerWaalsContact ND1-C 3.35Å; H727-A767 PolarHBondContact ND1-O 3.38Å; H727-A767 VanDerWaalsContact ND1-O 3.14Å; E763-A767 VanDerWaalsContact O-CB 3.31Å; E763-A767 WeakPolarHBondContact O-CB 3.48Å; E763-A767 PolarHBondContact O-N 2.81Å; A764-A767 PolarHBondContact O-N 3.41Å; V765-A767 VanDerWaalsContact C-N 3.34Å; V765-A767 PolarHBondContact O-N 3.49Å; A767-G769 VanDerWaalsContact C-N 3.26Å
768A98.1Very high97.8Very high17 Ų1740 Ų4014%0.1423%0.231CC..THydrogen-bonded Turntrans-78.7-6.9173.400000113.3E723 V724 H727 A764 V765 K766 Y770E723-A768 HydrophobicContact CB-CB 4.32Å; V724-A768 HydrophobicContact CG2-CB 3.95Å; H727-A768 HydrophobicContact CB-CB 4.31Å; A764-A768 PolarHBondContact O-N 2.88Å; V765-A768 PolarHBondContact O-N 3.42Å; K766-A768 VanDerWaalsContact C-N 3.26Å; K766-A768 PolarHBondContact O-N 3.48Å; A768-Y770 HydrophobicContact CB-CD2 3.72Å; A768-Y770 HydrophobicContact CB-CE2 3.92Å
769G98.1Very high97.8Very high65 Ų6540 Ų4067%0.6723%0.23SC*.THydrogen-bonded Turntrans92.215.3177.500000114.9V765 K766 A767V765-G769 PolarHBondContact O-N 2.84Å; K766-G769 PolarHBondContact O-N 3.34Å; A767-G769 VanDerWaalsContact C-N 3.26Å
770Y98.5Very high97.9Very high34 Ų3438.1 Ų38.113%0.13322%0.215CC..  trans-107153.5-179.1-59.5-62.3000112.4R719 M720 E723 V724 V765 A768 D775 I776R719-Y770 PolarHBondContact NH1-OH 2.76Å; M720-Y770 HydrophobicContact CB-CE1 4.42Å; M720-Y770 HydrophobicContact CB-CE2 4.11Å; M720-Y770 HydrophobicContact CE-CD1 3.74Å; M720-Y770 HydrophobicContact CE-CE1 3.83Å; M720-Y770 HydrophobicContact CE-CG 4.24Å; M720-Y770 HydrophobicContact CG-CE1 3.73Å; M720-Y770 HydrophobicContact CG-CE2 4.25Å; M720-Y770 HydrophobicContact SD-CE1 4.32Å; E723-Y770 HydrophobicContact CB-CE2 4.3Å; E723-Y770 WeakPolarHBondContact OE2-CE2 3.49Å; E723-Y770 VanDerWaalsContact OE2-CZ 3.29Å; E723-Y770 PolarHBondContact OE2-OH 3.34Å; V724-Y770 HydrophobicContact CG2-CD2 3.93Å; V724-Y770 HydrophobicContact CG2-CE2 4.37Å; V765-Y770 PolarHBondContact O-N 3.07Å; V765-Y770 VanDerWaalsContact O-N 3.15Å; A768-Y770 HydrophobicContact CB-CD2 3.72Å; A768-Y770 HydrophobicContact CB-CE2 3.92Å; Y770-D775 HydrophobicContact CD1-CB 4.28Å; Y770-I776 HydrophobicContact CG-CG1 4.44Å
771E98.1Very high97.9Very high110 Ų11038.5 Ų38.551%0.51422%0.217SC..  trans-95.4115.3175.5-170.5175.7-179.200110.9K774 D775 I776E771-K774 HydrophobicContact CB-CB 4.25Å; E771-K774 HydrophobicContact CB-CD 4.47Å; E771-K774 HydrophobicContact CG-CB 4.17Å; E771-K774 PolarHBondContact O-N 3.17Å; E771-K774 WeakPolarHBondContact OE2-CD 3.47Å; E771-K774 IonicContact OE2-NZ 2.77Å; E771-K774 PolarHBondContact OE2-NZ 3.11Å; E771-D775 WeakPolarHBondContact CB-OD2 3.41Å; E771-D775 PolarHBondContact N-OD2 2.9Å; E771-D775 PolarHBondContact O-N 3.49Å; E771-I776 PolarHBondContact O-N 3.19Å
772L97.5Very high97.8Very high47 Ų4738.5 Ų38.525%0.24622%0.217CC..BIsolated β-bridgetrans-65.8133.5176.4-16677.1000110.4A762 V765 K774 I776 L778 P820A762-L772 HydrophobicContact CB-CD2 3.7Å; V765-L772 HydrophobicContact CB-CD1 4.23Å; V765-L772 HydrophobicContact CG1-CB 4.13Å; V765-L772 HydrophobicContact CG1-CD1 4.04Å; V765-L772 HydrophobicContact CG2-CD1 3.99Å; L772-K774 VanDerWaalsContact C-N 3.3Å; L772-I776 CarbonylContact C-O 3.36Å; L772-I776 HydrophobicContact CD1-CG2 4.17Å; L772-L778 HydrophobicContact CD1-CD1 4.27Å; L772-L778 HydrophobicContact CD1-CD2 4.14Å; L772-L778 HydrophobicContact CD1-CG 4.07Å; L772-L778 HydrophobicContact CD2-CD1 4.21Å; L772-P820 HydrophobicContact CD1-CG 4.44Å; L772-P820 HydrophobicContact CD2-CG 3.85Å; L772-P820 HydrophobicContact CG-CG 3.6Å
773G96.1Very high97.6Very high24 Ų2437.7 Ų37.725%0.24721%0.21CC..THydrogen-bonded Turntrans83.9-1.5-175.600000114.4I776 R960G773-I776 PolarHBondContact N-O 3.09Å; G773-R960 VanDerWaalsContact C-NH2 3.34Å; G773-R960 PolarHBondContact O-NH2 2.87Å
774K96.9Very high97.5Very high125 Ų12533.4 Ų33.454%0.54319%0.19SC..THydrogen-bonded Turntrans-125.9-58172.3-179.1-168.3174.3-167.40111.7E771 L772E771-K774 HydrophobicContact CB-CB 4.25Å; E771-K774 HydrophobicContact CB-CD 4.47Å; E771-K774 HydrophobicContact CG-CB 4.17Å; E771-K774 PolarHBondContact O-N 3.17Å; E771-K774 WeakPolarHBondContact OE2-CD 3.47Å; E771-K774 IonicContact OE2-NZ 2.77Å; E771-K774 PolarHBondContact OE2-NZ 3.11Å; L772-K774 VanDerWaalsContact C-N 3.3Å
775D98.1Very high97.2Very high40 Ų4034.7 Ų34.721%0.21420%0.2CC..THydrogen-bonded Turntrans-87.2-40-179-56.1-36.7000111P708 V709 G710 M720 Y770 E771P708-D775 CarbonylContact C-O 3.58Å; V709-D775 PolarHBondContact N-O 2.73Å; V709-D775 VanDerWaalsContact N-O 3.16Å; G710-D775 PolarHBondContact N-O 2.97Å; M720-D775 HydrophobicContact CE-CB 3.91Å; Y770-D775 HydrophobicContact CD1-CB 4.28Å; E771-D775 WeakPolarHBondContact CB-OD2 3.41Å; E771-D775 PolarHBondContact N-OD2 2.9Å; E771-D775 PolarHBondContact O-N 3.49Å
776I98.5Very high96.9Very high0 Ų039.4 Ų39.40%022%0.222CC..BIsolated β-bridgetrans-125.7127.7179.5-62.8-92.4000108.6I706 Q707 P708 M720 V724 V765 Y770 E771 L772 G773I706-I776 HydrophobicContact CB-CG2 3.76Å; I706-I776 HydrophobicContact CD1-CD1 4.41Å; I706-I776 HydrophobicContact CG2-CG2 3.75Å; Q707-I776 CarbonylContact O-C 3.52Å; Q707-I776 WeakPolarHBondContact O-CA 3.38Å; P708-I776 HydrophobicContact CB-CD1 4.13Å; P708-I776 HydrophobicContact CG-CD1 4.28Å; M720-I776 HydrophobicContact CB-CD1 4.45Å; M720-I776 HydrophobicContact CE-CD1 4.12Å; M720-I776 HydrophobicContact CE-CG1 4.12Å; V724-I776 HydrophobicContact CG2-CD1 4.16Å; V765-I776 HydrophobicContact CG1-CB 4.03Å; V765-I776 HydrophobicContact CG1-CG1 4.15Å; V765-I776 HydrophobicContact CG1-CG2 4.45Å; V765-I776 HydrophobicContact CG2-CB 4.38Å; V765-I776 HydrophobicContact CG2-CG2 3.94Å; Y770-I776 HydrophobicContact CG-CG1 4.44Å; E771-I776 PolarHBondContact O-N 3.19Å; L772-I776 CarbonylContact C-O 3.36Å; L772-I776 HydrophobicContact CD1-CG2 4.17Å; G773-I776 PolarHBondContact N-O 3.09Å
777T98.4Very high96.7Very high1 Ų132.5 Ų32.51%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-105.9170.3165.750.80000110.8I706 Q707 V709 V822I706-T777 WeakPolarHBondContact CA-O 3.34Å; Q707-T777 WeakPolarHBondContact CB-OG1 3.37Å; Q707-T777 PolarHBondContact N-O 3.45Å; Q707-T777 PolarHBondContact O-N 3.36Å; Q707-T777 PolarHBondContact OE1-OG1 3.11Å; V709-T777 VanDerWaalsContact CG1-OG1 3.3Å; V709-T777 WeakPolarHBondContact CG1-OG1 3.25Å; V709-T777 HydrophobicContact CG2-CG2 3.76Å; T777-V822 HydrophobicContact CG2-CG1 3.91Å; T777-V822 HydrophobicContact CG2-CG2 4.35Å; T777-V822 WeakPolarHBondContact OG1-CG2 3.31Å
778L98.3Very high96.6Very high1 Ų133.3 Ų33.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-109.7146.7-179.2-61.3170.7000110.9M705 I706 L758 I761 L772 P820 I821 V822M705-L778 WeakPolarHBondContact O-CA 3.34Å; I706-L778 HydrophobicContact CG2-CD2 3.94Å; L758-L778 HydrophobicContact CD2-CD1 3.9Å; I761-L778 HydrophobicContact CG2-CD2 3.59Å; L772-L778 HydrophobicContact CD1-CD1 4.27Å; L772-L778 HydrophobicContact CD1-CD2 4.14Å; L772-L778 HydrophobicContact CD1-CG 4.07Å; L772-L778 HydrophobicContact CD2-CD1 4.21Å; L778-P820 PolarHBondContact N-O 2.64Å; L778-I821 HydrophobicContact CB-CG1 4.07Å; L778-I821 CarbonylContact O-C 3.53Å; L778-I821 VanDerWaalsContact O-CA 3.32Å; L778-I821 WeakPolarHBondContact O-CA 3.36Å; L778-V822 PolarHBondContact O-N 3.15Å
779A98.1Very high96.4Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-132.5155.5167.600000109.6M685 M705 Q707 S823M685-A779 HydrophobicContact CE-CB 3.65Å; M705-A779 HydrophobicContact CB-CB 4.1Å; M705-A779 HydrophobicContact CE-CB 4.14Å; M705-A779 PolarHBondContact N-O 2.9Å; M705-A779 PolarHBondContact O-N 3Å; Q707-A779 HydrophobicContact CG-CB 4.37Å; A779-S823 VanDerWaalsContact CA-O 3.24Å; A779-S823 WeakPolarHBondContact CA-O 3.5Å
780M97.7Very high96.1Very high1 Ų143.2 Ų43.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-134.3139.3-178.1-68169.456.100110.4I701 E703 F704 L758 L815 I821 S823 I824 E825I701-M780 HydrophobicContact CD1-CE 3.14Å; I701-M780 HydrophobicContact CG1-CE 4.38Å; I701-M780 HydrophobicContact CG2-CE 3.97Å; E703-M780 WeakPolarHBondContact O-CA 3.38Å; F704-M780 HydrophobicContact CD1-CE 4.5Å; F704-M780 HydrophobicContact CD1-CG 4.12Å; F704-M780 HydrophobicContact CD1-SD 4.5Å; F704-M780 HydrophobicContact CE1-CE 3.96Å; F704-M780 HydrophobicContact CE1-CG 4.48Å; F704-M780 HydrophobicContact CE1-SD 4.41Å; L758-M780 HydrophobicContact CD1-SD 4.19Å; L758-M780 HydrophobicContact CD2-CG 4.42Å; L758-M780 HydrophobicContact CD2-SD 3.98Å; M780-L815 HydrophobicContact CE-CD1 4.19Å; M780-I821 HydrophobicContact SD-CD1 3.44Å; M780-I821 WeakPolarHBondContact SD-CD1 3.49Å; M780-I821 HydrophobicContact SD-CG1 3.97Å; M780-I821 HydrophobicContact SD-CG2 4.3Å; M780-S823 PolarHBondContact N-O 2.86Å; M780-I824 CarbonylContact O-C 3.6Å; M780-I824 WeakPolarHBondContact O-CA 3.47Å; M780-E825 PolarHBondContact O-N 2.51Å
781D96.9Very high95.8Very high9 Ų943.5 Ų43.55%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-107.9108.6166-177.7-3.3000108I701 Q702 E703 M705 A783 E825 K928I701-D781 WeakPolarHBondContact CG2-O 3.5Å; Q702-D781 PolarHBondContact N-O 3.03Å; E703-D781 HydrophobicContact CB-CB 3.75Å; E703-D781 HydrophobicContact CG-CB 4.01Å; E703-D781 PolarHBondContact N-O 3.29Å; E703-D781 VanDerWaalsContact N-O 3.07Å; E703-D781 PolarHBondContact O-N 3.04Å; M705-D781 HydrophobicContact CE-CB 3.97Å; D781-A783 PolarHBondContact OD1-N 3.17Å; D781-A783 VanDerWaalsContact OD1-N 3.12Å; D781-E825 HydrophobicContact CB-CB 4.29Å; D781-K928 IonicContact OD2-NZ 3.62Å; D781-K928 PolarHBondContact OD2-NZ 2.88Å
782C96.5Very high95.8Very high1 Ų142.9 Ų42.91%0.00722%0.222CC..  trans-78.7-34.4-178.2-72.70000112.1A784 F787 E825 D826C782-A784 HydrophobicContact CB-CB 4.38Å; C782-A784 PolarHBondContact O-N 3.1Å; C782-F787 HydrophobicContact CB-CZ 4.44Å; C782-F787 WeakPolarHBondContact O-CE1 3.43Å; C782-E825 PolarHBondContact N-O 3.14Å; C782-D826 WeakPolarHBondContact CB-O 3.4Å
783A93.3Very high95.8Very high8 Ų840.7 Ų40.77%0.06621%0.21CC..  trans42.750.3-168.700000112.1Q702 D781 S785 E786Q702-A783 HydrophobicContact CB-CB 3.92Å; Q702-A783 HydrophobicContact CG-CB 4.39Å; D781-A783 PolarHBondContact OD1-N 3.17Å; D781-A783 VanDerWaalsContact OD1-N 3.12Å; A783-S785 PolarHBondContact O-N 3.39Å; A783-E786 HydrophobicContact CB-CG 4.47Å; A783-E786 PolarHBondContact O-N 2.86Å
784A95.4Very high95.8Very high0 Ų041.9 Ų41.90%021%0.212CC..G310 helixtrans-63.8-17.7-161.700000115.2C782 E786 F787 Y788 Y793 F808 D826C782-A784 HydrophobicContact CB-CB 4.38Å; C782-A784 PolarHBondContact O-N 3.1Å; A784-E786 PolarHBondContact O-N 3.44Å; A784-F787 VanDerWaalsContact CA-CZ 3.4Å; A784-F787 HydrophobicContact CB-CE1 4.46Å; A784-F787 HydrophobicContact CB-CE2 3.63Å; A784-F787 HydrophobicContact CB-CZ 3.62Å; A784-F787 WeakPolarHBondContact O-CD2 3.45Å; A784-F787 PolarHBondContact O-N 3.23Å; A784-Y788 WeakPolarHBondContact O-CB 3.18Å; A784-Y788 PolarHBondContact O-N 3.29Å; A784-Y788 VanDerWaalsContact O-N 3.08Å; A784-Y793 HydrophobicContact CB-CD1 4.09Å; A784-Y793 HydrophobicContact CB-CE1 3.95Å; A784-F808 HydrophobicContact CB-CE1 4.2Å; A784-D826 WeakPolarHBondContact CB-O 3.36Å; A784-D826 PolarHBondContact N-O 3.37Å; A784-D826 VanDerWaalsContact N-O 3.14Å
785S93.1Very high95.7Very high28 Ų2835.9 Ų35.920%0.19619%0.187CC..G310 helixtrans-54.3-33.9170.8-51.20000112.4A783 F787 Y788 E830A783-S785 PolarHBondContact O-N 3.39Å; S785-F787 VanDerWaalsContact C-N 3.26Å; S785-F787 PolarHBondContact O-N 3.08Å; S785-Y788 PolarHBondContact O-N 3.18Å; S785-E830 PolarHBondContact OG-N 3.41Å
786E91.9Very high95.4Very high99 Ų9936.9 Ų36.946%0.46320%0.2SC..G310 helixtrans-68.9-23.2-177.2-64.7-56.5145.800113.6E693 A783 A784E693-E786 HydrophobicContact CG-CG 4.05Å; A783-E786 HydrophobicContact CB-CG 4.47Å; A783-E786 PolarHBondContact O-N 2.86Å; A784-E786 PolarHBondContact O-N 3.44Å
787F94.1Very high95.1Very high22 Ų2237.6 Ų37.610%0.09621%0.208CC..G310 helixtrans-118.413.9175.852.3-105.3000113.2C782 A784 S785 Y793 V794 L795 F808C782-F787 HydrophobicContact CB-CZ 4.44Å; C782-F787 WeakPolarHBondContact O-CE1 3.43Å; A784-F787 VanDerWaalsContact CA-CZ 3.4Å; A784-F787 HydrophobicContact CB-CE1 4.46Å; A784-F787 HydrophobicContact CB-CE2 3.63Å; A784-F787 HydrophobicContact CB-CZ 3.62Å; A784-F787 WeakPolarHBondContact O-CD2 3.45Å; A784-F787 PolarHBondContact O-N 3.23Å; S785-F787 VanDerWaalsContact C-N 3.26Å; S785-F787 PolarHBondContact O-N 3.08Å; F787-Y793 HydrophobicContact CD2-CD1 4.08Å; F787-Y793 AromaticContact CE2-CD1 3.93Å; F787-Y793 HydrophobicContact CE2-CD1 3.93Å; F787-V794 WeakPolarHBondContact CB-O 3.24Å; F787-V794 PolarHBondContact O-N 2.82Å; F787-L795 HydrophobicContact CD1-CD2 4.15Å; F787-L795 HydrophobicContact CD2-CD2 3.67Å; F787-L795 HydrophobicContact CE1-CD2 4.16Å; F787-L795 HydrophobicContact CE2-CD2 3.69Å; F787-L795 HydrophobicContact CG-CD2 3.9Å; F787-L795 HydrophobicContact CZ-CD2 3.93Å; F787-F808 AromaticContact CE2-CE1 3.85Å; F787-F808 HydrophobicContact CE2-CE1 3.85Å; F787-F808 HydrophobicContact CE2-CE2 4.25Å; F787-F808 AromaticContact CE2-CZ 3.61Å; F787-F808 HydrophobicContact CE2-CZ 3.61Å; F787-F808 HydrophobicContact CZ-CE1 4.13Å; F787-F808 AromaticContact CZ-CZ 3.71Å; F787-F808 HydrophobicContact CZ-CZ 3.71Å
788Y95Very high94.8Very high68 Ų6838.8 Ų38.827%0.26721%0.213SC..EExtended strand (participates in β ladder)trans-87.6116.9172.3-173.8-116.7000110.6A784 S785 G791 K792 Y793 D829A784-Y788 WeakPolarHBondContact O-CB 3.18Å; A784-Y788 PolarHBondContact O-N 3.29Å; A784-Y788 VanDerWaalsContact O-N 3.08Å; S785-Y788 PolarHBondContact O-N 3.18Å; Y788-G791 VanDerWaalsContact CE2-C 3.49Å; Y788-G791 WeakPolarHBondContact OH-CA 3.42Å; Y788-K792 WeakPolarHBondContact CA-O 3.33Å; Y788-K792 WeakPolarHBondContact CD2-O 3.45Å; Y788-Y793 AromaticContact CD2-CD1 3.73Å; Y788-Y793 HydrophobicContact CD2-CD1 3.73Å; Y788-Y793 HydrophobicContact CD2-CD2 4.06Å; Y788-Y793 AromaticContact CD2-CE1 3.46Å; Y788-Y793 HydrophobicContact CD2-CE1 3.46Å; Y788-Y793 VanDerWaalsContact CD2-CE1 3.46Å; Y788-Y793 AromaticContact CD2-CE2 3.78Å; Y788-Y793 HydrophobicContact CD2-CE2 3.78Å; Y788-Y793 HydrophobicContact CD2-CG 4.03Å; Y788-Y793 AromaticContact CD2-CZ 3.48Å; Y788-Y793 VanDerWaalsContact CD2-CZ 3.48Å; Y788-Y793 HydrophobicContact CE2-CD2 4.32Å; Y788-Y793 HydrophobicContact CE2-CE1 4.21Å; Y788-Y793 AromaticContact CE2-CE2 3.79Å; Y788-Y793 HydrophobicContact CE2-CE2 3.79Å; Y788-Y793 AromaticContact CE2-CZ 3.74Å; Y788-Y793 HydrophobicContact CG-CD1 4.34Å; Y788-Y793 AromaticContact CG-CE1 3.97Å; Y788-Y793 HydrophobicContact CG-CE1 3.97Å; Y788-D829 HydrophobicContact CD1-CB 3.53Å; Y788-D829 WeakPolarHBondContact CD1-OD2 3.33Å; Y788-D829 HydrophobicContact CD2-CB 4.28Å; Y788-D829 HydrophobicContact CE1-CB 4.03Å; Y788-D829 HydrophobicContact CG-CB 3.65Å
789K93Very high94.4Very high138 Ų13841.7 Ų41.760%0.624%0.243SC*.EExtended strand (participates in β ladder)trans-144.7132.5-176.8-171.5175.5178.3177.60111.5G791 K792K789-G791 PolarHBondContact O-N 3.04Å; K789-G791 VanDerWaalsContact O-N 3.17Å; K789-K792 PolarHBondContact N-O 3.02Å; K789-K792 PolarHBondContact O-N 3.28Å; K789-K792 VanDerWaalsContact O-O 3.06Å
790D92.6Very high94.2Very high152 Ų15247.1 Ų47.181%0.81327%0.272SS*.THydrogen-bonded Turntrans52.337.7175.6-57.1-43.7000113.2
791G93.1Very high94Very high40 Ų4051.7 Ų51.741%0.41229%0.292SS..THydrogen-bonded Turntrans80.513.4179.700000115.2Y788 K789Y788-G791 VanDerWaalsContact CE2-C 3.49Å; Y788-G791 WeakPolarHBondContact OH-CA 3.42Å; K789-G791 PolarHBondContact O-N 3.04Å; K789-G791 VanDerWaalsContact O-N 3.17Å
792K96.9Very high94Very high97 Ų9753.5 Ų53.542%0.42231%0.309SS..EExtended strand (participates in β ladder)trans-137152.7179.7-65.1-164.4176.1-162.20112.3Y788 K789 V794 A802 F803Y788-K792 WeakPolarHBondContact CA-O 3.33Å; Y788-K792 WeakPolarHBondContact CD2-O 3.45Å; K789-K792 PolarHBondContact N-O 3.02Å; K789-K792 PolarHBondContact O-N 3.28Å; K789-K792 VanDerWaalsContact O-O 3.06Å; K792-V794 HydrophobicContact CB-CG2 4.42Å; K792-A802 HydrophobicContact CB-CB 4.49Å; K792-A802 HydrophobicContact CD-CB 4.02Å; K792-F803 CarbonylContact C-O 3.59Å; K792-F803 VanDerWaalsContact CA-O 3.26Å; K792-F803 WeakPolarHBondContact CA-O 3.38Å; K792-F803 WeakPolarHBondContact CB-O 3.48Å
793Y97.4Very high94Very high0 Ų055 Ų550%032%0.315CS..EExtended strand (participates in β ladder)trans-92.6110.8172.7-59.4-85.2000109.3A784 F787 Y788 A802 F803 F808 L828 D829 D832A784-Y793 HydrophobicContact CB-CD1 4.09Å; A784-Y793 HydrophobicContact CB-CE1 3.95Å; F787-Y793 HydrophobicContact CD2-CD1 4.08Å; F787-Y793 AromaticContact CE2-CD1 3.93Å; F787-Y793 HydrophobicContact CE2-CD1 3.93Å; Y788-Y793 AromaticContact CD2-CD1 3.73Å; Y788-Y793 HydrophobicContact CD2-CD1 3.73Å; Y788-Y793 HydrophobicContact CD2-CD2 4.06Å; Y788-Y793 AromaticContact CD2-CE1 3.46Å; Y788-Y793 HydrophobicContact CD2-CE1 3.46Å; Y788-Y793 VanDerWaalsContact CD2-CE1 3.46Å; Y788-Y793 AromaticContact CD2-CE2 3.78Å; Y788-Y793 HydrophobicContact CD2-CE2 3.78Å; Y788-Y793 HydrophobicContact CD2-CG 4.03Å; Y788-Y793 AromaticContact CD2-CZ 3.48Å; Y788-Y793 VanDerWaalsContact CD2-CZ 3.48Å; Y788-Y793 HydrophobicContact CE2-CD2 4.32Å; Y788-Y793 HydrophobicContact CE2-CE1 4.21Å; Y788-Y793 AromaticContact CE2-CE2 3.79Å; Y788-Y793 HydrophobicContact CE2-CE2 3.79Å; Y788-Y793 AromaticContact CE2-CZ 3.74Å; Y788-Y793 HydrophobicContact CG-CD1 4.34Å; Y788-Y793 AromaticContact CG-CE1 3.97Å; Y788-Y793 HydrophobicContact CG-CE1 3.97Å; Y793-A802 CarbonylContact O-C 3.55Å; Y793-A802 WeakPolarHBondContact O-CA 3.2Å; Y793-F803 PolarHBondContact N-O 3.02Å; Y793-F803 PolarHBondContact O-N 3.04Å; Y793-F808 HydrophobicContact CD1-CD1 4.17Å; Y793-F808 HydrophobicContact CD1-CE1 4.45Å; Y793-F808 HydrophobicContact CD2-CB 3.99Å; Y793-F808 HydrophobicContact CD2-CD1 4.34Å; Y793-F808 HydrophobicContact CD2-CG 4.35Å; Y793-F808 HydrophobicContact CG-CB 4.24Å; Y793-F808 AromaticContact CG-CD1 4Å; Y793-F808 HydrophobicContact CG-CD1 4Å; Y793-F808 HydrophobicContact CG-CG 4.11Å; Y793-L828 HydrophobicContact CD2-CD2 4.25Å; Y793-L828 HydrophobicContact CE1-CB 4.47Å; Y793-L828 HydrophobicContact CE1-CD2 4.01Å; Y793-L828 HydrophobicContact CE2-CD2 3.5Å; Y793-L828 VanDerWaalsContact CE2-CD2 3.5Å; Y793-L828 WeakPolarHBondContact OH-CB 3.29Å; Y793-L828 WeakPolarHBondContact OH-CD2 3.38Å; Y793-D829 HydrophobicContact CE1-CB 4.09Å; Y793-D829 PolarHBondContact OH-N 2.77Å; Y793-D832 WeakPolarHBondContact OH-CB 3.41Å; Y793-D832 PolarHBondContact OH-OD2 3.14Å
794V96.8Very high94.2Very high49 Ų4957.2 Ų57.230%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-110104.6-171.6-174.70000110.8F787 K792 K801 A802F787-V794 WeakPolarHBondContact CB-O 3.24Å; F787-V794 PolarHBondContact O-N 2.82Å; K792-V794 HydrophobicContact CB-CG2 4.42Å; V794-K801 WeakPolarHBondContact CA-O 3.48Å; V794-A802 HydrophobicContact CG2-CB 4.02Å
795L95Very high94.3Very high0 Ų058.3 Ų58.30%034%0.335CS..EExtended strand (participates in β ladder)trans-93.2105.9-178.1-59.1-177.9000110.7D700 F787 E798 N800 K801 F803 F808 F811D700-L795 HydrophobicContact CB-CD2 3.81Å; F787-L795 HydrophobicContact CD1-CD2 4.15Å; F787-L795 HydrophobicContact CD2-CD2 3.67Å; F787-L795 HydrophobicContact CE1-CD2 4.16Å; F787-L795 HydrophobicContact CE2-CD2 3.69Å; F787-L795 HydrophobicContact CG-CD2 3.9Å; F787-L795 HydrophobicContact CZ-CD2 3.93Å; L795-E798 HydrophobicContact CB-CB 3.72Å; L795-E798 HydrophobicContact CB-CG 3.93Å; L795-E798 HydrophobicContact CD1-CB 4.32Å; L795-E798 HydrophobicContact CD1-CG 3.82Å; L795-E798 PolarHBondContact O-N 2.91Å; L795-N800 WeakPolarHBondContact O-CA 3.49Å; L795-N800 PolarHBondContact O-N 2.82Å; L795-K801 PolarHBondContact N-O 3.43Å; L795-K801 PolarHBondContact O-N 2.94Å; L795-F803 HydrophobicContact CD1-CD2 4.33Å; L795-F803 HydrophobicContact CD1-CE2 3.78Å; L795-F803 HydrophobicContact CG-CD2 4.46Å; L795-F803 HydrophobicContact CG-CE2 4.22Å; L795-F808 HydrophobicContact CD1-CE2 3.93Å; L795-F808 HydrophobicContact CD2-CE2 4.3Å; L795-F808 HydrophobicContact CG-CE2 4.45Å; L795-F811 HydrophobicContact CD1-CD1 4.37Å; L795-F811 HydrophobicContact CD1-CE1 3.88Å; L795-F811 HydrophobicContact CD1-CZ 4.15Å
796A92.1Very high94.5Very high60 Ų6062 Ų6250%0.49635%0.35SS..THydrogen-bonded Turntrans-68.2-43.3-178.800000111.9D700 E798 G799 N800D700-A796 PolarHBondContact OD1-N 2.86Å; A796-E798 PolarHBondContact O-N 2.93Å; A796-G799 PolarHBondContact O-N 2.97Å; A796-N800 PolarHBondContact O-N 3.31Å
797G91.3Very high94.8Very high16 Ų1662 Ų6217%0.16535%0.35CS..THydrogen-bonded Turntrans-63.7-20175.700000113.8N698 D700 G799N698-G797 WeakPolarHBondContact O-CA 3.21Å; D700-G797 VanDerWaalsContact CG-N 3.29Å; D700-G797 PolarHBondContact OD1-N 3.14Å; D700-G797 WeakPolarHBondContact OD2-CA 3.41Å; D700-G797 PolarHBondContact OD2-N 2.8Å; G797-G799 VanDerWaalsContact C-N 3.34Å
798E92.6Very high95Very high25 Ų2561 Ų6112%0.11735%0.345CS..THydrogen-bonded Turntrans-93.217.5173.3-69.9-70.615700113.8D700 S753 N754 L795 A796 K801 F811D700-E798 PolarHBondContact OD2-N 2.85Å; S753-E798 VanDerWaalsContact CB-OE1 3.32Å; S753-E798 WeakPolarHBondContact CB-OE1 3.5Å; N754-E798 PolarHBondContact N-OE1 2.8Å; N754-E798 WeakPolarHBondContact ND2-CG 3.09Å; N754-E798 PolarHBondContact ND2-OE1 3.39Å; L795-E798 HydrophobicContact CB-CB 3.72Å; L795-E798 HydrophobicContact CB-CG 3.93Å; L795-E798 HydrophobicContact CD1-CB 4.32Å; L795-E798 HydrophobicContact CD1-CG 3.82Å; L795-E798 PolarHBondContact O-N 2.91Å; A796-E798 PolarHBondContact O-N 2.93Å; E798-K801 HydrophobicContact CB-CD 4.17Å; E798-K801 WeakPolarHBondContact O-CE 3.49Å; E798-K801 WeakPolarHBondContact O-CG 3.36Å; E798-K801 IonicContact OE2-NZ 3.46Å; E798-K801 PolarHBondContact OE2-NZ 2.95Å; E798-F811 HydrophobicContact CG-CZ 4.37Å
799G90.8Very high95.1Very high62 Ų6257.8 Ų57.864%0.63933%0.332SS*.THydrogen-bonded Turntrans79.933.8-178.700000113.5A796 G797 K801A796-G799 PolarHBondContact O-N 2.97Å; G797-G799 VanDerWaalsContact C-N 3.34Å; G799-K801 VanDerWaalsContact C-N 3.33Å; G799-K801 PolarHBondContact O-N 3.23Å
800N92Very high95.4Very high114 Ų11455 Ų5561%0.6132%0.321SS*.SBendtrans6035.8-178.4-59.1-66.1000113.9L795 A796 A802L795-N800 WeakPolarHBondContact O-CA 3.49Å; L795-N800 PolarHBondContact O-N 2.82Å; A796-N800 PolarHBondContact O-N 3.31Å; N800-A802 PolarHBondContact O-N 2.74Å
801K94.7Very high95.6Very high98 Ų9849.4 Ų49.443%0.42629%0.29SS..EExtended strand (participates in β ladder)trans-65.5135.5171-69.3173.9-160.8151.60109V794 L795 E798 G799 F803V794-K801 WeakPolarHBondContact CA-O 3.48Å; L795-K801 PolarHBondContact N-O 3.43Å; L795-K801 PolarHBondContact O-N 2.94Å; E798-K801 HydrophobicContact CB-CD 4.17Å; E798-K801 WeakPolarHBondContact O-CE 3.49Å; E798-K801 WeakPolarHBondContact O-CG 3.36Å; E798-K801 IonicContact OE2-NZ 3.46Å; E798-K801 PolarHBondContact OE2-NZ 2.95Å; G799-K801 VanDerWaalsContact C-N 3.33Å; G799-K801 PolarHBondContact O-N 3.23Å; K801-F803 HydrophobicContact CB-CD2 4.43Å; K801-F803 HydrophobicContact CB-CE2 3.6Å; K801-F803 HydrophobicContact CB-CZ 3.76Å; K801-F803 HydrophobicContact CD-CE2 4.44Å; K801-F803 HydrophobicContact CD-CZ 3.9Å; K801-F803 HydrophobicContact CG-CZ 4.45Å
802A96.5Very high95.8Very high47 Ų4747.6 Ų47.639%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-117.3122178.900000109.8K792 Y793 V794 N800K792-A802 HydrophobicContact CB-CB 4.49Å; K792-A802 HydrophobicContact CD-CB 4.02Å; Y793-A802 CarbonylContact O-C 3.55Å; Y793-A802 WeakPolarHBondContact O-CA 3.2Å; V794-A802 HydrophobicContact CG2-CB 4.02Å; N800-A802 PolarHBondContact O-N 2.74Å
803F97.3Very high95.8Very high31 Ų3145 Ų4514%0.13626%0.26CS..EExtended strand (participates in β ladder)trans-113.5144.8-176-58.2-84.1000111K792 Y793 L795 K801 E807 F808 F811K792-F803 CarbonylContact C-O 3.59Å; K792-F803 VanDerWaalsContact CA-O 3.26Å; K792-F803 WeakPolarHBondContact CA-O 3.38Å; K792-F803 WeakPolarHBondContact CB-O 3.48Å; Y793-F803 PolarHBondContact N-O 3.02Å; Y793-F803 PolarHBondContact O-N 3.04Å; L795-F803 HydrophobicContact CD1-CD2 4.33Å; L795-F803 HydrophobicContact CD1-CE2 3.78Å; L795-F803 HydrophobicContact CG-CD2 4.46Å; L795-F803 HydrophobicContact CG-CE2 4.22Å; K801-F803 HydrophobicContact CB-CD2 4.43Å; K801-F803 HydrophobicContact CB-CE2 3.6Å; K801-F803 HydrophobicContact CB-CZ 3.76Å; K801-F803 HydrophobicContact CD-CE2 4.44Å; K801-F803 HydrophobicContact CD-CZ 3.9Å; K801-F803 HydrophobicContact CG-CZ 4.45Å; F803-E807 HydrophobicContact CB-CB 4.07Å; F803-E807 HydrophobicContact CD1-CB 3.95Å; F803-F808 HydrophobicContact CB-CB 3.77Å; F803-F808 HydrophobicContact CD2-CD2 4.12Å; F803-F808 HydrophobicContact CG-CB 4.39Å; F803-F808 HydrophobicContact CG-CD2 4.41Å; F803-F811 HydrophobicContact CE1-CB 4.3Å; F803-F811 HydrophobicContact CZ-CB 4.44Å; F803-F811 HydrophobicContact CZ-CD2 4.06Å; F803-F811 HydrophobicContact CZ-CG 4.27Å
804T97.6Very high95.8Very high56 Ų5649.2 Ų49.234%0.34428%0.28SS..  trans-71.4169.2156.658.50000110.5E806 E807 F808T804-E806 VanDerWaalsContact C-N 3.32Å; T804-E806 PolarHBondContact O-N 3.13Å; T804-E807 WeakPolarHBondContact CB-OE2 3.38Å; T804-E807 WeakPolarHBondContact CG2-OE2 3.21Å; T804-E807 PolarHBondContact N-OE2 3.18Å; T804-E807 PolarHBondContact O-N 2.97Å; T804-E807 WeakPolarHBondContact OG1-CB 3.25Å; T804-E807 VanDerWaalsContact OG1-CD 3.25Å; T804-E807 WeakPolarHBondContact OG1-CG 3.38Å; T804-E807 PolarHBondContact OG1-N 3.04Å; T804-E807 PolarHBondContact OG1-OE2 3.2Å; T804-F808 WeakPolarHBondContact O-CB 3.32Å; T804-F808 PolarHBondContact O-N 3.23Å
805S97.1Very high95.8Very high22 Ų2247.2 Ų47.215%0.15427%0.268CS..Hα-helixtrans-58.2-40.6179.1-38.60000113.2T809 D832S805-T809 WeakPolarHBondContact O-CB 3.43Å; S805-T809 PolarHBondContact O-N 3.25Å; S805-T809 PolarHBondContact O-OG1 3.39Å; S805-D832 WeakPolarHBondContact CB-OD2 3.39Å; S805-D832 PolarHBondContact OG-OD2 2.98Å
806E97.8Very high95.9Very high107 Ų10748.6 Ų48.650%0.528%0.276SS..Hα-helixtrans-68.3-44.4175.9-61.5-171.2-178.200111.4T804 F808 T809 H810 Y838T804-E806 VanDerWaalsContact C-N 3.32Å; T804-E806 PolarHBondContact O-N 3.13Å; E806-F808 PolarHBondContact O-N 3.22Å; E806-T809 WeakPolarHBondContact O-CB 3.41Å; E806-T809 PolarHBondContact O-N 3.26Å; E806-H810 PolarHBondContact O-CD2 3.19Å; E806-H810 PolarHBondContact O-N 2.99Å; E806-Y838 HydrophobicContact CB-CD1 4.24Å; E806-Y838 HydrophobicContact CB-CE1 3.81Å; E806-Y838 HydrophobicContact CG-CD1 3.9Å; E806-Y838 HydrophobicContact CG-CD2 4.05Å; E806-Y838 HydrophobicContact CG-CE1 3.8Å; E806-Y838 HydrophobicContact CG-CE2 3.93Å; E806-Y838 HydrophobicContact CG-CG 4.02Å
807E97.8Very high96.1Very high99 Ų9951.6 Ų51.646%0.46328%0.278SS..Hα-helixtrans-65.9-37.5178.6-67.6167142.100112F803 T804 H810 F811F803-E807 HydrophobicContact CB-CB 4.07Å; F803-E807 HydrophobicContact CD1-CB 3.95Å; T804-E807 WeakPolarHBondContact CB-OE2 3.38Å; T804-E807 WeakPolarHBondContact CG2-OE2 3.21Å; T804-E807 PolarHBondContact N-OE2 3.18Å; T804-E807 PolarHBondContact O-N 2.97Å; T804-E807 WeakPolarHBondContact OG1-CB 3.25Å; T804-E807 VanDerWaalsContact OG1-CD 3.25Å; T804-E807 WeakPolarHBondContact OG1-CG 3.38Å; T804-E807 PolarHBondContact OG1-N 3.04Å; T804-E807 PolarHBondContact OG1-OE2 3.2Å; E807-H810 PolarHBondContact O-N 3.03Å; E807-F811 PolarHBondContact O-N 3.01Å
808F97.7Very high96.3Very high0 Ų056 Ų560%029%0.294CS..Hα-helixtrans-69.6-38.5176.3-170.7-123.9000111.3A784 F787 Y793 L795 F803 T804 E806 H810 F811 L812 G827 L828A784-F808 HydrophobicContact CB-CE1 4.2Å; F787-F808 AromaticContact CE2-CE1 3.85Å; F787-F808 HydrophobicContact CE2-CE1 3.85Å; F787-F808 HydrophobicContact CE2-CE2 4.25Å; F787-F808 AromaticContact CE2-CZ 3.61Å; F787-F808 HydrophobicContact CE2-CZ 3.61Å; F787-F808 HydrophobicContact CZ-CE1 4.13Å; F787-F808 AromaticContact CZ-CZ 3.71Å; F787-F808 HydrophobicContact CZ-CZ 3.71Å; Y793-F808 HydrophobicContact CD1-CD1 4.17Å; Y793-F808 HydrophobicContact CD1-CE1 4.45Å; Y793-F808 HydrophobicContact CD2-CB 3.99Å; Y793-F808 HydrophobicContact CD2-CD1 4.34Å; Y793-F808 HydrophobicContact CD2-CG 4.35Å; Y793-F808 HydrophobicContact CG-CB 4.24Å; Y793-F808 AromaticContact CG-CD1 4Å; Y793-F808 HydrophobicContact CG-CD1 4Å; Y793-F808 HydrophobicContact CG-CG 4.11Å; L795-F808 HydrophobicContact CD1-CE2 3.93Å; L795-F808 HydrophobicContact CD2-CE2 4.3Å; L795-F808 HydrophobicContact CG-CE2 4.45Å; F803-F808 HydrophobicContact CB-CB 3.77Å; F803-F808 HydrophobicContact CD2-CD2 4.12Å; F803-F808 HydrophobicContact CG-CB 4.39Å; F803-F808 HydrophobicContact CG-CD2 4.41Å; T804-F808 WeakPolarHBondContact O-CB 3.32Å; T804-F808 PolarHBondContact O-N 3.23Å; E806-F808 PolarHBondContact O-N 3.22Å; F808-H810 VanDerWaalsContact C-N 3.29Å; F808-H810 PolarHBondContact O-N 2.85Å; F808-F811 HydrophobicContact CD2-CB 4.38Å; F808-F811 AromaticContact CD2-CD1 3.96Å; F808-F811 HydrophobicContact CD2-CD1 3.96Å; F808-F811 AromaticContact CE2-CD1 3.71Å; F808-F811 HydrophobicContact CE2-CD1 3.71Å; F808-F811 HydrophobicContact CE2-CE1 4.2Å; F808-F811 WeakPolarHBondContact O-CB 3.43Å; F808-F811 PolarHBondContact O-N 2.95Å; F808-F811 VanDerWaalsContact O-N 3.13Å; F808-L812 HydrophobicContact CD1-CD1 4.22Å; F808-L812 HydrophobicContact CE1-CD1 3.86Å; F808-L812 HydrophobicContact CE1-CG 4.29Å; F808-L812 HydrophobicContact CE2-CD2 4.4Å; F808-L812 HydrophobicContact CE2-CG 4.41Å; F808-L812 HydrophobicContact CZ-CD1 4.18Å; F808-L812 HydrophobicContact CZ-CD2 4.1Å; F808-L812 HydrophobicContact CZ-CG 4.18Å; F808-L812 WeakPolarHBondContact O-CG 3.5Å; F808-L812 PolarHBondContact O-N 2.86Å; F808-G827 VanDerWaalsContact CD1-O 3.3Å; F808-G827 WeakPolarHBondContact CD1-O 3.31Å; F808-G827 WeakPolarHBondContact CE1-O 3.49Å; F808-L828 HydrophobicContact CD1-CD2 3.89Å
809T97.9Very high96.6Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-55.7-44.8170.7-67.60000111.3S805 E806 L812 E813 Y838 Q839 V842 L843S805-T809 WeakPolarHBondContact O-CB 3.43Å; S805-T809 PolarHBondContact O-N 3.25Å; S805-T809 PolarHBondContact O-OG1 3.39Å; E806-T809 WeakPolarHBondContact O-CB 3.41Å; E806-T809 PolarHBondContact O-N 3.26Å; T809-L812 PolarHBondContact O-N 2.85Å; T809-E813 WeakPolarHBondContact O-CB 3.25Å; T809-E813 PolarHBondContact O-N 2.99Å; T809-Y838 HydrophobicContact CG2-CD1 4Å; T809-Y838 HydrophobicContact CG2-CE1 3.99Å; T809-Q839 HydrophobicContact CG2-CB 4.17Å; T809-Q839 HydrophobicContact CG2-CG 4.08Å; T809-V842 HydrophobicContact CG2-CB 3.99Å; T809-V842 HydrophobicContact CG2-CG1 4.1Å; T809-V842 HydrophobicContact CG2-CG2 4.3Å; T809-L843 HydrophobicContact CG2-CD1 4.46Å
810H98Very high96.8Very high80 Ų8056 Ų5637%0.3728%0.28SS..Hα-helixtrans-71.3-30.1177.1-73-54.8000113.7E806 E807 F808 E813 E814 Y838E806-H810 PolarHBondContact O-CD2 3.19Å; E806-H810 PolarHBondContact O-N 2.99Å; E807-H810 PolarHBondContact O-N 3.03Å; F808-H810 VanDerWaalsContact C-N 3.29Å; F808-H810 PolarHBondContact O-N 2.85Å; H810-E813 IonicContact CE1-OE2 3.86Å; H810-E813 IonicContact CG-OE2 3.74Å; H810-E813 IonicContact ND1-OE2 3.14Å; H810-E813 PolarHBondContact ND1-OE2 2.85Å; H810-E813 PolarHBondContact O-N 3.29Å; H810-E814 WeakPolarHBondContact O-CB 3.11Å; H810-E814 PolarHBondContact O-N 3.22Å; H810-Y838 PolarHBondContact NE2-OH 3.23Å
811F97.2Very high97.1Very high35 Ų3550.9 Ų50.915%0.15425%0.252CS..Hα-helixtrans-61.2-47.4170172.6-98.8000111.1L795 E798 F803 E807 F808 E814 L815L795-F811 HydrophobicContact CD1-CD1 4.37Å; L795-F811 HydrophobicContact CD1-CE1 3.88Å; L795-F811 HydrophobicContact CD1-CZ 4.15Å; E798-F811 HydrophobicContact CG-CZ 4.37Å; F803-F811 HydrophobicContact CE1-CB 4.3Å; F803-F811 HydrophobicContact CZ-CB 4.44Å; F803-F811 HydrophobicContact CZ-CD2 4.06Å; F803-F811 HydrophobicContact CZ-CG 4.27Å; E807-F811 PolarHBondContact O-N 3.01Å; F808-F811 HydrophobicContact CD2-CB 4.38Å; F808-F811 AromaticContact CD2-CD1 3.96Å; F808-F811 HydrophobicContact CD2-CD1 3.96Å; F808-F811 AromaticContact CE2-CD1 3.71Å; F808-F811 HydrophobicContact CE2-CD1 3.71Å; F808-F811 HydrophobicContact CE2-CE1 4.2Å; F808-F811 WeakPolarHBondContact O-CB 3.43Å; F808-F811 PolarHBondContact O-N 2.95Å; F808-F811 VanDerWaalsContact O-N 3.13Å; F811-E814 PolarHBondContact O-N 3.21Å; F811-L815 HydrophobicContact CD1-CD1 4.34Å; F811-L815 HydrophobicContact CE1-CD1 3.76Å; F811-L815 HydrophobicContact CE1-CG 4.48Å; F811-L815 HydrophobicContact CZ-CD1 4.05Å; F811-L815 HydrophobicContact CZ-CG 4.5Å; F811-L815 PolarHBondContact O-N 3.06Å; F811-L815 VanDerWaalsContact O-N 3.15Å
812L97.6Very high97.3Very high1 Ų146.4 Ų46.41%0.00523%0.233CC..Hα-helixtrans-64.6-41.6175.3-65.1177.7000111.9F808 T809 E814 L815 T816 I824F808-L812 HydrophobicContact CD1-CD1 4.22Å; F808-L812 HydrophobicContact CE1-CD1 3.86Å; F808-L812 HydrophobicContact CE1-CG 4.29Å; F808-L812 HydrophobicContact CE2-CD2 4.4Å; F808-L812 HydrophobicContact CE2-CG 4.41Å; F808-L812 HydrophobicContact CZ-CD1 4.18Å; F808-L812 HydrophobicContact CZ-CD2 4.1Å; F808-L812 HydrophobicContact CZ-CG 4.18Å; F808-L812 WeakPolarHBondContact O-CG 3.5Å; F808-L812 PolarHBondContact O-N 2.86Å; T809-L812 PolarHBondContact O-N 2.85Å; L812-E814 VanDerWaalsContact C-N 3.29Å; L812-E814 PolarHBondContact O-N 3.36Å; L812-L815 HydrophobicContact CD2-CD1 4.39Å; L812-L815 WeakPolarHBondContact O-CB 3.44Å; L812-L815 PolarHBondContact O-N 2.98Å; L812-T816 VanDerWaalsContact O-CG2 3.23Å; L812-T816 WeakPolarHBondContact O-CG2 3.49Å; L812-T816 PolarHBondContact O-N 3.11Å; L812-I824 HydrophobicContact CB-CD1 4.15Å; L812-I824 HydrophobicContact CD1-CG2 4.3Å
813E97.5Very high97.4Very high44 Ų4444.2 Ų44.221%0.20621%0.214CC..Hα-helixtrans-55.7-45.1174.4-171.5-165.1172.300111.3T809 H810 L815 T816 K817 L843T809-E813 WeakPolarHBondContact O-CB 3.25Å; T809-E813 PolarHBondContact O-N 2.99Å; H810-E813 IonicContact CE1-OE2 3.86Å; H810-E813 IonicContact CG-OE2 3.74Å; H810-E813 IonicContact ND1-OE2 3.14Å; H810-E813 PolarHBondContact ND1-OE2 2.85Å; H810-E813 PolarHBondContact O-N 3.29Å; E813-L815 VanDerWaalsContact C-N 3.35Å; E813-L815 PolarHBondContact O-N 3.16Å; E813-T816 PolarHBondContact O-N 2.98Å; E813-T816 VanDerWaalsContact O-N 3.13Å; E813-T816 PolarHBondContact O-OG1 3.28Å; E813-K817 PolarHBondContact O-N 2.89Å; E813-K817 VanDerWaalsContact O-N 3.15Å; E813-K817 VanDerWaalsContact OE1-CE 3.23Å; E813-K817 WeakPolarHBondContact OE1-CE 3.28Å; E813-K817 IonicContact OE1-NZ 3.65Å; E813-K817 PolarHBondContact OE1-NZ 3.24Å; E813-K817 IonicContact OE2-NZ 2.93Å; E813-L843 HydrophobicContact CB-CD2 3.8Å; E813-L843 HydrophobicContact CG-CD2 3.72Å
814E97.1Very high97.4Very high88 Ų8842.8 Ų42.841%0.41121%0.208SC..Hα-helixtrans-64.8-38.5179.3-172.854.4-145.300112H810 F811 L812 T816 K817 Q818H810-E814 WeakPolarHBondContact O-CB 3.11Å; H810-E814 PolarHBondContact O-N 3.22Å; F811-E814 PolarHBondContact O-N 3.21Å; L812-E814 VanDerWaalsContact C-N 3.29Å; L812-E814 PolarHBondContact O-N 3.36Å; E814-T816 VanDerWaalsContact C-N 3.31Å; E814-T816 PolarHBondContact O-N 2.88Å; E814-K817 PolarHBondContact O-N 3.25Å; E814-Q818 WeakPolarHBondContact O-CG 3.48Å; E814-Q818 PolarHBondContact O-N 3.09Å; E814-Q818 PolarHBondContact OE1-NE2 2.92Å
815L97Very high97.4Very high7 Ų740.1 Ų40.14%0.03719%0.192CC..Hα-helixtrans-59.9-41.5171.3-67178.1000111.6A755 L758 M780 F811 L812 E813 K817 Q818 Y819 I821A755-L815 HydrophobicContact CB-CD2 4.04Å; L758-L815 HydrophobicContact CD1-CD2 4.23Å; M780-L815 HydrophobicContact CE-CD1 4.19Å; F811-L815 HydrophobicContact CD1-CD1 4.34Å; F811-L815 HydrophobicContact CE1-CD1 3.76Å; F811-L815 HydrophobicContact CE1-CG 4.48Å; F811-L815 HydrophobicContact CZ-CD1 4.05Å; F811-L815 HydrophobicContact CZ-CG 4.5Å; F811-L815 PolarHBondContact O-N 3.06Å; F811-L815 VanDerWaalsContact O-N 3.15Å; L812-L815 HydrophobicContact CD2-CD1 4.39Å; L812-L815 WeakPolarHBondContact O-CB 3.44Å; L812-L815 PolarHBondContact O-N 2.98Å; E813-L815 VanDerWaalsContact C-N 3.35Å; E813-L815 PolarHBondContact O-N 3.16Å; L815-K817 PolarHBondContact O-N 3.23Å; L815-Q818 PolarHBondContact O-N 2.98Å; L815-Q818 VanDerWaalsContact O-N 3.12Å; L815-Y819 PolarHBondContact O-N 2.67Å; L815-I821 HydrophobicContact CB-CD1 3.82Å
816T96.9Very high97.4Very high28 Ų2839.2 Ų39.217%0.17219%0.186CC..Hα-helixtrans-67.9-20.6178.674.20000113.9L812 E813 E814 Y819 I821 I824 I847L812-T816 VanDerWaalsContact O-CG2 3.23Å; L812-T816 WeakPolarHBondContact O-CG2 3.49Å; L812-T816 PolarHBondContact O-N 3.11Å; E813-T816 PolarHBondContact O-N 2.98Å; E813-T816 VanDerWaalsContact O-N 3.13Å; E813-T816 PolarHBondContact O-OG1 3.28Å; E814-T816 VanDerWaalsContact C-N 3.31Å; E814-T816 PolarHBondContact O-N 2.88Å; T816-Y819 CarbonylContact C-O 3.53Å; T816-Y819 WeakPolarHBondContact CA-O 3.36Å; T816-I821 HydrophobicContact CG2-CB 4.05Å; T816-I821 HydrophobicContact CG2-CD1 4.43Å; T816-I821 HydrophobicContact CG2-CG2 4.22Å; T816-I824 HydrophobicContact CG2-CD1 4.04Å; T816-I847 HydrophobicContact CG2-CD1 4.05Å; T816-I847 HydrophobicContact CG2-CG1 4.28Å
817K95.9Very high97.3Very high124 Ų12434.2 Ų34.254%0.53916%0.162SC..Hα-helixtrans-78.9-30.6173-69.7168.2-174.5157.10111.8E813 E814 L815E813-K817 PolarHBondContact O-N 2.89Å; E813-K817 VanDerWaalsContact O-N 3.15Å; E813-K817 VanDerWaalsContact OE1-CE 3.23Å; E813-K817 WeakPolarHBondContact OE1-CE 3.28Å; E813-K817 IonicContact OE1-NZ 3.65Å; E813-K817 PolarHBondContact OE1-NZ 3.24Å; E813-K817 IonicContact OE2-NZ 2.93Å; E814-K817 PolarHBondContact O-N 3.25Å; L815-K817 PolarHBondContact O-N 3.23Å
818Q96Very high97.3Very high109 Ų10929.5 Ų29.551%0.50914%0.14SC..Hα-helixtrans-88.1-33.7-177.5-66178.333.300112.7E814 L815E814-Q818 WeakPolarHBondContact O-CG 3.48Å; E814-Q818 PolarHBondContact O-N 3.09Å; E814-Q818 PolarHBondContact OE1-NE2 2.92Å; L815-Q818 PolarHBondContact O-N 2.98Å; L815-Q818 VanDerWaalsContact O-N 3.12Å
819Y97.4Very high97.2Very high45 Ų4530.4 Ų30.418%0.17615%0.145CC..SBendtrans-128.1147.2-178.6-59.7-82000110A755 L758 L815 T816 I821A755-Y819 HydrophobicContact CB-CE2 4.49Å; A755-Y819 PolarHBondContact O-OH 2.93Å; L758-Y819 HydrophobicContact CB-CD1 3.82Å; L758-Y819 HydrophobicContact CB-CD2 3.87Å; L758-Y819 HydrophobicContact CB-CE1 3.87Å; L758-Y819 HydrophobicContact CB-CE2 3.91Å; L758-Y819 HydrophobicContact CB-CG 3.83Å; L758-Y819 HydrophobicContact CD1-CD2 3.56Å; L758-Y819 HydrophobicContact CD1-CE2 4Å; L758-Y819 HydrophobicContact CD1-CG 4.03Å; L758-Y819 HydrophobicContact CG-CD2 4.34Å; L758-Y819 HydrophobicContact CG-CG 4.46Å; L815-Y819 PolarHBondContact O-N 2.67Å; T816-Y819 CarbonylContact C-O 3.53Å; T816-Y819 WeakPolarHBondContact CA-O 3.36Å; Y819-I821 PolarHBondContact O-N 3.34Å
820P96.7Very high96.9Very high42 Ų4232.3 Ų32.327%0.27315%0.154SC..  trans-77.160.8-179.733.2-34.7000111.2L772 L778L772-P820 HydrophobicContact CD1-CG 4.44Å; L772-P820 HydrophobicContact CD2-CG 3.85Å; L772-P820 HydrophobicContact CG-CG 3.6Å; L778-P820 PolarHBondContact N-O 2.64Å
821I98.2Very high96.5Very high5 Ų532 Ų323%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-75.4124.7170.1-60157.2000106.7L758 L778 M780 L815 T816 Y819 I824 I847L758-I821 HydrophobicContact CD1-CD1 3.9Å; L758-I821 HydrophobicContact CD2-CD1 4.35Å; L758-I821 HydrophobicContact CD2-CG1 4.35Å; L778-I821 HydrophobicContact CB-CG1 4.07Å; L778-I821 CarbonylContact O-C 3.53Å; L778-I821 VanDerWaalsContact O-CA 3.32Å; L778-I821 WeakPolarHBondContact O-CA 3.36Å; M780-I821 HydrophobicContact SD-CD1 3.44Å; M780-I821 WeakPolarHBondContact SD-CD1 3.49Å; M780-I821 HydrophobicContact SD-CG1 3.97Å; M780-I821 HydrophobicContact SD-CG2 4.3Å; L815-I821 HydrophobicContact CB-CD1 3.82Å; T816-I821 HydrophobicContact CG2-CB 4.05Å; T816-I821 HydrophobicContact CG2-CD1 4.43Å; T816-I821 HydrophobicContact CG2-CG2 4.22Å; Y819-I821 PolarHBondContact O-N 3.34Å; I821-I824 HydrophobicContact CG2-CD1 4.44Å; I821-I824 HydrophobicContact CG2-CG1 3.92Å; I821-I847 VanDerWaalsContact O-CD1 3.26Å; I821-I847 WeakPolarHBondContact O-CD1 3.27Å
822V98Very high96.4Very high5 Ų531.3 Ų31.33%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-120-11.4-177.1-59.80000112.7T777 L778 Q848 I963 Q966T777-V822 HydrophobicContact CG2-CG1 3.91Å; T777-V822 HydrophobicContact CG2-CG2 4.35Å; T777-V822 WeakPolarHBondContact OG1-CG2 3.31Å; L778-V822 PolarHBondContact O-N 3.15Å; V822-Q848 WeakPolarHBondContact O-CB 3.38Å; V822-Q848 PolarHBondContact O-N 2.79Å; V822-I963 HydrophobicContact CB-CG2 4.24Å; V822-I963 HydrophobicContact CG2-CD1 3.74Å; V822-I963 HydrophobicContact CG2-CG2 4.02Å; V822-Q966 HydrophobicContact CB-CG 3.86Å; V822-Q966 VanDerWaalsContact CG1-CD 3.46Å; V822-Q966 HydrophobicContact CG1-CG 4.12Å; V822-Q966 VanDerWaalsContact CG1-OE1 3.27Å
823S98.4Very high96.3Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-141.8136.7175.5-1700000111.4A779 M780 Q848 V850A779-S823 VanDerWaalsContact CA-O 3.24Å; A779-S823 WeakPolarHBondContact CA-O 3.5Å; M780-S823 PolarHBondContact N-O 2.86Å; S823-Q848 CarbonylContact C-O 3.37Å; S823-Q848 WeakPolarHBondContact CA-O 3.5Å; S823-Q848 PolarHBondContact OG-NE2 3.3Å; S823-Q848 PolarHBondContact OG-O 3.35Å; S823-V850 WeakPolarHBondContact OG-CG2 3.28Å
824I98.4Very high96.2Very high2 Ų237.3 Ų37.31%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-128.6124.4175.4-61.7176000107.3M780 L812 T816 I821 L843 I847 Q848 L849 V850M780-I824 CarbonylContact O-C 3.6Å; M780-I824 WeakPolarHBondContact O-CA 3.47Å; L812-I824 HydrophobicContact CB-CD1 4.15Å; L812-I824 HydrophobicContact CD1-CG2 4.3Å; T816-I824 HydrophobicContact CG2-CD1 4.04Å; I821-I824 HydrophobicContact CG2-CD1 4.44Å; I821-I824 HydrophobicContact CG2-CG1 3.92Å; I824-L843 HydrophobicContact CD1-CD1 4.41Å; I824-I847 HydrophobicContact CB-CG2 4.41Å; I824-I847 HydrophobicContact CD1-CG2 4.09Å; I824-I847 HydrophobicContact CG1-CG2 3.95Å; I824-Q848 PolarHBondContact N-O 2.87Å; I824-L849 HydrophobicContact CB-CD2 4.24Å; I824-L849 CarbonylContact O-C 3.58Å; I824-L849 WeakPolarHBondContact O-CA 3.29Å; I824-V850 PolarHBondContact O-N 3.34Å
825E97.7Very high96.2Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-102.5134175.7177.8-179.8164.400109.6M780 D781 C782 G827 V850 D852 L875 K928M780-E825 PolarHBondContact O-N 2.51Å; D781-E825 HydrophobicContact CB-CB 4.29Å; C782-E825 PolarHBondContact N-O 3.14Å; E825-G827 VanDerWaalsContact C-N 3.31Å; E825-G827 PolarHBondContact O-N 2.92Å; E825-V850 WeakPolarHBondContact CA-O 3.49Å; E825-V850 HydrophobicContact CB-CB 4.02Å; E825-V850 HydrophobicContact CG-CB 4.26Å; E825-V850 HydrophobicContact CG-CG1 4.32Å; E825-D852 HydrophobicContact CG-CB 4.23Å; E825-L875 WeakPolarHBondContact OE1-CD2 3.44Å; E825-K928 IonicContact OE1-NZ 2.74Å; E825-K928 PolarHBondContact OE1-NZ 3.07Å; E825-K928 WeakPolarHBondContact OE2-CD 3.42Å; E825-K928 IonicContact OE2-NZ 3.72Å; E825-K928 PolarHBondContact OE2-NZ 2.98Å
826D95.7Very high96.2Very high3 Ų333 Ų332%0.01617%0.171CC..SBendtrans43.253.5178.5-68.5-13.3000114.1C782 A784 L828 V850 G851 D852 D853C782-D826 WeakPolarHBondContact CB-O 3.4Å; A784-D826 WeakPolarHBondContact CB-O 3.36Å; A784-D826 PolarHBondContact N-O 3.37Å; A784-D826 VanDerWaalsContact N-O 3.14Å; D826-L828 PolarHBondContact O-N 2.62Å; D826-L828 VanDerWaalsContact O-N 3.09Å; D826-V850 PolarHBondContact N-O 3.35Å; D826-G851 WeakPolarHBondContact OD1-CA 3.47Å; D826-D852 PolarHBondContact OD1-N 2.97Å; D826-D852 WeakPolarHBondContact OD2-CB 3.36Å; D826-D853 WeakPolarHBondContact OD2-CB 3.11Å; D826-D853 PolarHBondContact OD2-N 3.3Å
827G96.9Very high96.2Very high1 Ų133.5 Ų33.51%0.0118%0.178CC..  trans-67.6-3.1-178.900000115.1F808 E825 Q839F808-G827 VanDerWaalsContact CD1-O 3.3Å; F808-G827 WeakPolarHBondContact CD1-O 3.31Å; F808-G827 WeakPolarHBondContact CE1-O 3.49Å; E825-G827 VanDerWaalsContact C-N 3.31Å; E825-G827 PolarHBondContact O-N 2.92Å; G827-Q839 PolarHBondContact O-NE2 2.83Å
828L97.2Very high96.3Very high1 Ų130.3 Ų30.31%0.00516%0.163CC..SBendtrans-149.4167.4176.7-69.3173.3000109.3Y793 F808 D826 G835 F836 Q839Y793-L828 HydrophobicContact CD2-CD2 4.25Å; Y793-L828 HydrophobicContact CE1-CB 4.47Å; Y793-L828 HydrophobicContact CE1-CD2 4.01Å; Y793-L828 HydrophobicContact CE2-CD2 3.5Å; Y793-L828 VanDerWaalsContact CE2-CD2 3.5Å; Y793-L828 WeakPolarHBondContact OH-CB 3.29Å; Y793-L828 WeakPolarHBondContact OH-CD2 3.38Å; F808-L828 HydrophobicContact CD1-CD2 3.89Å; D826-L828 PolarHBondContact O-N 2.62Å; D826-L828 VanDerWaalsContact O-N 3.09Å; L828-G835 WeakPolarHBondContact CD1-O 3.43Å; L828-F836 HydrophobicContact CB-CD1 4.45Å; L828-F836 HydrophobicContact CB-CD2 3.79Å; L828-F836 HydrophobicContact CB-CE1 4.27Å; L828-F836 HydrophobicContact CB-CE2 3.59Å; L828-F836 HydrophobicContact CB-CG 4.22Å; L828-F836 HydrophobicContact CB-CZ 3.85Å; L828-F836 HydrophobicContact CD1-CG 4.3Å; L828-F836 VanDerWaalsContact CD1-N 3.3Å; L828-F836 VanDerWaalsContact O-CE2 3.24Å; L828-F836 WeakPolarHBondContact O-CE2 3.36Å; L828-F836 VanDerWaalsContact O-CZ 3.28Å; L828-F836 WeakPolarHBondContact O-CZ 3.31Å; L828-Q839 HydrophobicContact CD1-CB 3.99Å
829D94.7Very high96.4Very high19 Ų1925.2 Ų25.210%0.10214%0.139CC..  trans-64.7143.7-179.9174.4-91000111.9Y788 Y793 S831 D832 F836Y788-D829 HydrophobicContact CD1-CB 3.53Å; Y788-D829 WeakPolarHBondContact CD1-OD2 3.33Å; Y788-D829 HydrophobicContact CD2-CB 4.28Å; Y788-D829 HydrophobicContact CE1-CB 4.03Å; Y788-D829 HydrophobicContact CG-CB 3.65Å; Y793-D829 HydrophobicContact CE1-CB 4.09Å; Y793-D829 PolarHBondContact OH-N 2.77Å; D829-S831 PolarHBondContact O-N 2.87Å; D829-S831 WeakPolarHBondContact OD1-CA 3.48Å; D829-S831 VanDerWaalsContact OD1-CB 3.24Å; D829-S831 WeakPolarHBondContact OD1-CB 3.25Å; D829-S831 PolarHBondContact OD1-N 3.13Å; D829-S831 PolarHBondContact OD1-OG 2.98Å; D829-D832 HydrophobicContact CB-CB 4.29Å; D829-D832 PolarHBondContact O-N 3.38Å; D829-F836 WeakPolarHBondContact O-CE2 3.38Å
830E91.5Very high96.4Very high40 Ų4024.1 Ų24.119%0.18714%0.137CC..THydrogen-bonded Turntrans-57.3-20.8-17663.8170.7-140.100114.4S580 S785 W833 D853S580-E830 PolarHBondContact OG-OE1 2.9Å; S785-E830 PolarHBondContact OG-N 3.41Å; E830-W833 PolarHBondContact O-NE1 3.16Å; E830-D853 HydrophobicContact CB-CB 4.33Å
831S91.5Very high96.4Very high73 Ų7330.2 Ų30.251%0.5116%0.159SC..THydrogen-bonded Turntrans-93.7-14.6177.778.10000114.1D829 W833D829-S831 PolarHBondContact O-N 2.87Å; D829-S831 WeakPolarHBondContact OD1-CA 3.48Å; D829-S831 VanDerWaalsContact OD1-CB 3.24Å; D829-S831 WeakPolarHBondContact OD1-CB 3.25Å; D829-S831 PolarHBondContact OD1-N 3.13Å; D829-S831 PolarHBondContact OD1-OG 2.98Å; S831-W833 VanDerWaalsContact C-N 3.33Å; S831-W833 PolarHBondContact O-N 3.39Å
832D94.4Very high96.4Very high21 Ų2132.4 Ų32.411%0.11217%0.173CC..  trans-8763.7-175.2-171.210.6000112.9Y793 S805 D829 D834 G835 F836Y793-D832 WeakPolarHBondContact OH-CB 3.41Å; Y793-D832 PolarHBondContact OH-OD2 3.14Å; S805-D832 WeakPolarHBondContact CB-OD2 3.39Å; S805-D832 PolarHBondContact OG-OD2 2.98Å; D829-D832 HydrophobicContact CB-CB 4.29Å; D829-D832 PolarHBondContact O-N 3.38Å; D832-D834 VanDerWaalsContact C-N 3.32Å; D832-D834 PolarHBondContact O-N 3.35Å; D832-G835 PolarHBondContact O-N 2.92Å; D832-G835 WeakPolarHBondContact OD1-CA 3.24Å; D832-G835 PolarHBondContact OD1-N 3.46Å; D832-F836 WeakPolarHBondContact O-CD2 3.24Å; D832-F836 PolarHBondContact O-N 3.49Å
833W94.9Very high96.4Very high27 Ų2732.5 Ų32.510%0.10217%0.173CC..Hα-helixtrans-64.3-34.8-177.3-77.855.5000113.1E830 S831 F836 A837 L854 I861 E864 K868 I870E830-W833 PolarHBondContact O-NE1 3.16Å; S831-W833 VanDerWaalsContact C-N 3.33Å; S831-W833 PolarHBondContact O-N 3.39Å; W833-F836 PolarHBondContact O-N 3.31Å; W833-A837 PolarHBondContact O-N 3.2Å; W833-L854 HydrophobicContact CZ2-CD1 4.19Å; W833-I861 HydrophobicContact CH2-CG2 4.13Å; W833-I861 HydrophobicContact CZ2-CG2 3.88Å; W833-E864 HydrophobicContact CH2-CB 4.08Å; W833-E864 HydrophobicContact CH2-CG 4.01Å; W833-E864 HydrophobicContact CZ3-CB 4.24Å; W833-E864 HydrophobicContact CZ3-CG 3.81Å; W833-K868 HydrophobicContact CE3-CD 3.65Å; W833-K868 HydrophobicContact CZ3-CD 3.82Å; W833-I870 HydrophobicContact CE3-CD1 4.46Å; W833-I870 HydrophobicContact CE3-CG1 3.85Å; W833-I870 HydrophobicContact CZ3-CG1 4.12Å; W833-I870 VanDerWaalsContact O-CD1 3.25Å; W833-I870 WeakPolarHBondContact O-CD1 3.43Å
834D95.8Very high96.2Very high143 Ų14333 Ų3377%0.76518%0.178SC*.Hα-helixtrans-68.1-41.8176.7-71.2-24.6000110.7D832 A837 Y838D832-D834 VanDerWaalsContact C-N 3.32Å; D832-D834 PolarHBondContact O-N 3.35Å; D834-A837 PolarHBondContact O-N 3.28Å; D834-Y838 PolarHBondContact O-N 3.07Å
835G96.6Very high96.1Very high4 Ų440 Ų404%0.04122%0.215CC..Hα-helixtrans-59.6-46.1171.300000111.8L828 D832 A837 Y838 Q839L828-G835 WeakPolarHBondContact CD1-O 3.43Å; D832-G835 PolarHBondContact O-N 2.92Å; D832-G835 WeakPolarHBondContact OD1-CA 3.24Å; D832-G835 PolarHBondContact OD1-N 3.46Å; G835-A837 VanDerWaalsContact C-N 3.34Å; G835-A837 PolarHBondContact O-N 3.41Å; G835-Y838 CarbonylContact O-C 3.59Å; G835-Y838 WeakPolarHBondContact O-CA 3.41Å; G835-Y838 WeakPolarHBondContact O-CB 3.33Å; G835-Y838 PolarHBondContact O-N 2.95Å; G835-Y838 VanDerWaalsContact O-N 3.14Å; G835-Q839 PolarHBondContact O-N 2.9Å
836F96.9Very high95.9Very high2 Ų247.3 Ų47.31%0.00925%0.247CC..Hα-helixtrans-63.6-37.2177.5-93.6-71.4000112.9L828 D829 D832 W833 Y838 Q839 T840 L854 I870L828-F836 HydrophobicContact CB-CD1 4.45Å; L828-F836 HydrophobicContact CB-CD2 3.79Å; L828-F836 HydrophobicContact CB-CE1 4.27Å; L828-F836 HydrophobicContact CB-CE2 3.59Å; L828-F836 HydrophobicContact CB-CG 4.22Å; L828-F836 HydrophobicContact CB-CZ 3.85Å; L828-F836 HydrophobicContact CD1-CG 4.3Å; L828-F836 VanDerWaalsContact CD1-N 3.3Å; L828-F836 VanDerWaalsContact O-CE2 3.24Å; L828-F836 WeakPolarHBondContact O-CE2 3.36Å; L828-F836 VanDerWaalsContact O-CZ 3.28Å; L828-F836 WeakPolarHBondContact O-CZ 3.31Å; D829-F836 WeakPolarHBondContact O-CE2 3.38Å; D832-F836 WeakPolarHBondContact O-CD2 3.24Å; D832-F836 PolarHBondContact O-N 3.49Å; W833-F836 PolarHBondContact O-N 3.31Å; F836-Y838 VanDerWaalsContact C-N 3.3Å; F836-Y838 PolarHBondContact O-N 3.47Å; F836-Q839 PolarHBondContact O-N 3.44Å; F836-T840 WeakPolarHBondContact O-CB 3.49Å; F836-T840 PolarHBondContact O-N 2.89Å; F836-T840 PolarHBondContact O-OG1 3.29Å; F836-L854 HydrophobicContact CD1-CD2 3.96Å; F836-L854 HydrophobicContact CD2-CD1 3.98Å; F836-L854 HydrophobicContact CD2-CD2 3.95Å; F836-L854 HydrophobicContact CE1-CD2 3.95Å; F836-L854 HydrophobicContact CE2-CB 4.5Å; F836-L854 HydrophobicContact CE2-CD1 4Å; F836-L854 HydrophobicContact CE2-CD2 3.92Å; F836-L854 HydrophobicContact CE2-CG 4.37Å; F836-L854 HydrophobicContact CG-CD2 3.96Å; F836-L854 HydrophobicContact CZ-CD2 3.93Å; F836-I870 HydrophobicContact CB-CD1 4.27Å; F836-I870 HydrophobicContact CB-CG2 3.91Å; F836-I870 HydrophobicContact CG-CG2 4.44Å
837A97.2Very high96Very high38 Ų3847.6 Ų47.631%0.31425%0.249SC..Hα-helixtrans-60.9-42.5173.100000111W833 D834 G835 T840 K841 I870W833-A837 PolarHBondContact O-N 3.2Å; D834-A837 PolarHBondContact O-N 3.28Å; G835-A837 VanDerWaalsContact C-N 3.34Å; G835-A837 PolarHBondContact O-N 3.41Å; A837-T840 PolarHBondContact O-N 2.93Å; A837-K841 WeakPolarHBondContact O-CB 3.31Å; A837-K841 PolarHBondContact O-N 3.08Å; A837-I870 HydrophobicContact CB-CD1 3.59Å
838Y97.9Very high96.1Very high57 Ų5747.6 Ų47.622%0.22425%0.249CC..Hα-helixtrans-63.6-48.3174.4-176-89.7000112E806 T809 H810 D834 G835 F836 T840 K841 V842E806-Y838 HydrophobicContact CB-CD1 4.24Å; E806-Y838 HydrophobicContact CB-CE1 3.81Å; E806-Y838 HydrophobicContact CG-CD1 3.9Å; E806-Y838 HydrophobicContact CG-CD2 4.05Å; E806-Y838 HydrophobicContact CG-CE1 3.8Å; E806-Y838 HydrophobicContact CG-CE2 3.93Å; E806-Y838 HydrophobicContact CG-CG 4.02Å; T809-Y838 HydrophobicContact CG2-CD1 4Å; T809-Y838 HydrophobicContact CG2-CE1 3.99Å; H810-Y838 PolarHBondContact NE2-OH 3.23Å; D834-Y838 PolarHBondContact O-N 3.07Å; G835-Y838 CarbonylContact O-C 3.59Å; G835-Y838 WeakPolarHBondContact O-CA 3.41Å; G835-Y838 WeakPolarHBondContact O-CB 3.33Å; G835-Y838 PolarHBondContact O-N 2.95Å; G835-Y838 VanDerWaalsContact O-N 3.14Å; F836-Y838 VanDerWaalsContact C-N 3.3Å; F836-Y838 PolarHBondContact O-N 3.47Å; Y838-T840 VanDerWaalsContact C-N 3.28Å; Y838-T840 PolarHBondContact O-N 3.15Å; Y838-K841 WeakPolarHBondContact O-CB 2.82Å; Y838-K841 PolarHBondContact O-N 2.82Å; Y838-K841 VanDerWaalsContact O-N 3.14Å; Y838-V842 HydrophobicContact CD1-CG2 4Å; Y838-V842 HydrophobicContact CE1-CG2 3.57Å; Y838-V842 HydrophobicContact CE2-CG2 4.46Å; Y838-V842 WeakPolarHBondContact O-CG2 3.22Å; Y838-V842 PolarHBondContact O-N 3.31Å
839Q98Very high96.1Very high1 Ų147.6 Ų47.61%0.00525%0.249CC..Hα-helixtrans-58.5-41.5177.6-172.1175.88900111.5T809 G827 L828 G835 F836 V842 L843 L849T809-Q839 HydrophobicContact CG2-CB 4.17Å; T809-Q839 HydrophobicContact CG2-CG 4.08Å; G827-Q839 PolarHBondContact O-NE2 2.83Å; L828-Q839 HydrophobicContact CD1-CB 3.99Å; G835-Q839 PolarHBondContact O-N 2.9Å; F836-Q839 PolarHBondContact O-N 3.44Å; Q839-V842 PolarHBondContact O-N 3.43Å; Q839-L843 HydrophobicContact CG-CD1 4.03Å; Q839-L843 WeakPolarHBondContact O-CB 3.41Å; Q839-L843 PolarHBondContact O-N 2.65Å; Q839-L849 HydrophobicContact CG-CD1 4.19Å; Q839-L849 HydrophobicContact CG-CD2 4.38Å
840T97.6Very high96.3Very high22 Ų2246.8 Ų46.814%0.13524%0.244CC..Hα-helixtrans-64.3-41.8176.9-51.60000111.7F836 A837 Y838 V842 G844 L849 G869 A871F836-T840 WeakPolarHBondContact O-CB 3.49Å; F836-T840 PolarHBondContact O-N 2.89Å; F836-T840 PolarHBondContact O-OG1 3.29Å; A837-T840 PolarHBondContact O-N 2.93Å; Y838-T840 VanDerWaalsContact C-N 3.28Å; Y838-T840 PolarHBondContact O-N 3.15Å; T840-V842 VanDerWaalsContact C-N 3.33Å; T840-V842 PolarHBondContact O-N 2.96Å; T840-G844 VanDerWaalsContact O-CA 3.25Å; T840-G844 WeakPolarHBondContact O-CA 3.44Å; T840-G844 PolarHBondContact O-N 3.37Å; T840-L849 VanDerWaalsContact CA-CD1 3.49Å; T840-L849 HydrophobicContact CG2-CD1 4.43Å; T840-G869 WeakPolarHBondContact CG2-O 3.32Å; T840-A871 WeakPolarHBondContact OG1-CA 3.46Å; T840-A871 PolarHBondContact OG1-N 2.95Å
841K97.4Very high96.5Very high171 Ų17144.9 Ų44.974%0.74324%0.235SC*.Hα-helixtrans-63.3-36.7174.7-178.7-176.1174.7-172.90113A837 Y838A837-K841 WeakPolarHBondContact O-CB 3.31Å; A837-K841 PolarHBondContact O-N 3.08Å; Y838-K841 WeakPolarHBondContact O-CB 2.82Å; Y838-K841 PolarHBondContact O-N 2.82Å; Y838-K841 VanDerWaalsContact O-N 3.14Å
842V97.5Very high96.6Very high50 Ų5041.7 Ų41.730%0.30321%0.213SC..Hα-helixtrans-81.3-42-177.2175.20000112T809 Y838 Q839 T840T809-V842 HydrophobicContact CG2-CB 3.99Å; T809-V842 HydrophobicContact CG2-CG1 4.1Å; T809-V842 HydrophobicContact CG2-CG2 4.3Å; Y838-V842 HydrophobicContact CD1-CG2 4Å; Y838-V842 HydrophobicContact CE1-CG2 3.57Å; Y838-V842 HydrophobicContact CE2-CG2 4.46Å; Y838-V842 WeakPolarHBondContact O-CG2 3.22Å; Y838-V842 PolarHBondContact O-N 3.31Å; Q839-V842 PolarHBondContact O-N 3.43Å; T840-V842 VanDerWaalsContact C-N 3.33Å; T840-V842 PolarHBondContact O-N 2.96Å
843L97.3Very high96.4Very high7 Ų742.5 Ų42.54%0.03722%0.217CC..Hα-helixtrans-113.1-25.3-168.6-64177.7000114.4T809 E813 I824 Q839 D845 K846 I847 L849T809-L843 HydrophobicContact CG2-CD1 4.46Å; E813-L843 HydrophobicContact CB-CD2 3.8Å; E813-L843 HydrophobicContact CG-CD2 3.72Å; I824-L843 HydrophobicContact CD1-CD1 4.41Å; Q839-L843 HydrophobicContact CG-CD1 4.03Å; Q839-L843 WeakPolarHBondContact O-CB 3.41Å; Q839-L843 PolarHBondContact O-N 2.65Å; L843-D845 PolarHBondContact O-N 3.46Å; L843-K846 PolarHBondContact O-N 2.82Å; L843-I847 HydrophobicContact CB-CB 4.21Å; L843-I847 HydrophobicContact CB-CG1 4.22Å; L843-I847 HydrophobicContact CD2-CG1 4.32Å; L843-I847 PolarHBondContact O-N 2.71Å; L843-L849 HydrophobicContact CB-CD1 4.37Å; L843-L849 HydrophobicContact CB-CD2 4.26Å
844G96Very high96.2Very high11 Ų1141.2 Ų41.211%0.11321%0.212CC..THydrogen-bonded Turntrans-64.8-16.5-164.400000116.2T840 K846 N872T840-G844 VanDerWaalsContact O-CA 3.25Å; T840-G844 WeakPolarHBondContact O-CA 3.44Å; T840-G844 PolarHBondContact O-N 3.37Å; G844-K846 VanDerWaalsContact C-N 3.34Å; G844-N872 PolarHBondContact O-ND2 3.35Å
845D94.4Very high96.2Very high148 Ų14834.4 Ų34.479%0.79118%0.176SC*.THydrogen-bonded Turntrans-76.3-23.9173.6-74.4-19.7000112.8L843L843-D845 PolarHBondContact O-N 3.46Å
846K95.1Very high96Very high154 Ų15434.2 Ų34.267%0.6717%0.174SC*.THydrogen-bonded Turntrans-120-28.6-173.8-63.3179.8-174.9172.30112.9L843 G844 Q966L843-K846 PolarHBondContact O-N 2.82Å; G844-K846 VanDerWaalsContact C-N 3.34Å; K846-Q966 PolarHBondContact O-NE2 3.12Å
847I97.6Very high95.9Very high10 Ų1034.1 Ų34.15%0.05117%0.173CC..SBendtrans-115.7136-174.2-52.3-59.8000108.6T816 I821 I824 L843 L849 N872T816-I847 HydrophobicContact CG2-CD1 4.05Å; T816-I847 HydrophobicContact CG2-CG1 4.28Å; I821-I847 VanDerWaalsContact O-CD1 3.26Å; I821-I847 WeakPolarHBondContact O-CD1 3.27Å; I824-I847 HydrophobicContact CB-CG2 4.41Å; I824-I847 HydrophobicContact CD1-CG2 4.09Å; I824-I847 HydrophobicContact CG1-CG2 3.95Å; L843-I847 HydrophobicContact CB-CB 4.21Å; L843-I847 HydrophobicContact CB-CG1 4.22Å; L843-I847 HydrophobicContact CD2-CG1 4.32Å; L843-I847 PolarHBondContact O-N 2.71Å; I847-L849 HydrophobicContact CB-CD2 4.47Å; I847-L849 HydrophobicContact CG2-CD2 4.12Å; I847-L849 PolarHBondContact O-N 3.25Å; I847-N872 PolarHBondContact O-ND2 3.01Å
848Q98.3Very high95.7Very high0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-73.1109.8169-179.5178.1-57.300109.5V822 S823 I824 V850 N872 I963 K964V822-Q848 WeakPolarHBondContact O-CB 3.38Å; V822-Q848 PolarHBondContact O-N 2.79Å; S823-Q848 CarbonylContact C-O 3.37Å; S823-Q848 WeakPolarHBondContact CA-O 3.5Å; S823-Q848 PolarHBondContact OG-NE2 3.3Å; S823-Q848 PolarHBondContact OG-O 3.35Å; I824-Q848 PolarHBondContact N-O 2.87Å; Q848-V850 HydrophobicContact CG-CG2 3.84Å; Q848-N872 WeakPolarHBondContact CA-OD1 3.22Å; Q848-I963 HydrophobicContact CB-CG2 3.92Å; Q848-K964 HydrophobicContact CB-CB 3.97Å; Q848-K964 HydrophobicContact CG-CB 3.97Å
849L98.3Very high95.5Very high2 Ų233 Ų331%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-95.4111.5175.3-57.9178.4000108.1I824 Q839 T840 L843 I847 A871 N872 S873I824-L849 HydrophobicContact CB-CD2 4.24Å; I824-L849 CarbonylContact O-C 3.58Å; I824-L849 WeakPolarHBondContact O-CA 3.29Å; Q839-L849 HydrophobicContact CG-CD1 4.19Å; Q839-L849 HydrophobicContact CG-CD2 4.38Å; T840-L849 VanDerWaalsContact CA-CD1 3.49Å; T840-L849 HydrophobicContact CG2-CD1 4.43Å; L843-L849 HydrophobicContact CB-CD1 4.37Å; L843-L849 HydrophobicContact CB-CD2 4.26Å; I847-L849 HydrophobicContact CB-CD2 4.47Å; I847-L849 HydrophobicContact CG2-CD2 4.12Å; I847-L849 PolarHBondContact O-N 3.25Å; L849-A871 HydrophobicContact CB-CB 4.17Å; L849-A871 WeakPolarHBondContact O-CB 3.12Å; L849-N872 PolarHBondContact N-OD1 3.28Å; L849-N872 PolarHBondContact O-N 3.3Å; L849-N872 VanDerWaalsContact O-N 3.11Å; L849-N872 PolarHBondContact O-OD1 3.16Å; L849-S873 WeakPolarHBondContact O-CB 3.37Å; L849-S873 PolarHBondContact O-N 2.93Å
850V98.1Very high95.3Very high1 Ų139.2 Ų39.21%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-101.7124.9-175.2-172.60000109S823 I824 E825 D826 Q848 S873 L875 V902S823-V850 WeakPolarHBondContact OG-CG2 3.28Å; I824-V850 PolarHBondContact O-N 3.34Å; E825-V850 WeakPolarHBondContact CA-O 3.49Å; E825-V850 HydrophobicContact CB-CB 4.02Å; E825-V850 HydrophobicContact CG-CB 4.26Å; E825-V850 HydrophobicContact CG-CG1 4.32Å; D826-V850 PolarHBondContact N-O 3.35Å; Q848-V850 HydrophobicContact CG-CG2 3.84Å; V850-S873 WeakPolarHBondContact CA-O 3.44Å; V850-L875 HydrophobicContact CG1-CB 3.67Å; V850-L875 HydrophobicContact CG1-CD1 3.8Å; V850-L875 HydrophobicContact CG1-CG 4.35Å; V850-V902 HydrophobicContact CG2-CG2 4.46Å
851G95.7Very high95.2Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-95.8115.616900000111.4D826 S873 L875D826-G851 WeakPolarHBondContact OD1-CA 3.47Å; G851-S873 PolarHBondContact N-O 3.2Å; G851-L875 PolarHBondContact O-N 2.76Å
852D93.9Very high95.1Very high6 Ų631 Ų313%0.03216%0.158CC..SBendtrans-100.4-76.5169.9179.126.3000110.3E825 D826 L854 F855 V856 L875 K877 Q880E825-D852 HydrophobicContact CG-CB 4.23Å; D826-D852 PolarHBondContact OD1-N 2.97Å; D826-D852 WeakPolarHBondContact OD2-CB 3.36Å; D852-L854 PolarHBondContact O-N 2.89Å; D852-F855 PolarHBondContact O-N 3.23Å; D852-V856 WeakPolarHBondContact O-CA 3.26Å; D852-V856 PolarHBondContact O-N 3.06Å; D852-L875 HydrophobicContact CB-CB 3.75Å; D852-L875 HydrophobicContact CB-CD2 3.61Å; D852-L875 HydrophobicContact CB-CG 4.31Å; D852-L875 WeakPolarHBondContact OD2-CD2 3.49Å; D852-K877 IonicContact OD1-NZ 2.79Å; D852-K877 VanDerWaalsContact OD2-CE 3.31Å; D852-K877 WeakPolarHBondContact OD2-CE 3.41Å; D852-K877 IonicContact OD2-NZ 2.72Å; D852-K877 PolarHBondContact OD2-NZ 2.88Å; D852-Q880 PolarHBondContact OD1-NE2 3.41Å
853D89.2Confident95.1Very high38 Ų3834 Ų3420%0.20317%0.167CC..THydrogen-bonded Turntrans-64.5-24.9175.9-69.6-29.6000111.7D826 E830 V856D826-D853 WeakPolarHBondContact OD2-CB 3.11Å; D826-D853 PolarHBondContact OD2-N 3.3Å; E830-D853 HydrophobicContact CB-CB 4.33Å; D853-V856 WeakPolarHBondContact O-CG1 3.44Å
854L92.3Very high95.1Very high1 Ų137.7 Ų37.71%0.00518%0.184CC..THydrogen-bonded Turntrans-64.8-41.6175.6-177.962000113.1W833 F836 D852 I861 I870W833-L854 HydrophobicContact CZ2-CD1 4.19Å; F836-L854 HydrophobicContact CD1-CD2 3.96Å; F836-L854 HydrophobicContact CD2-CD1 3.98Å; F836-L854 HydrophobicContact CD2-CD2 3.95Å; F836-L854 HydrophobicContact CE1-CD2 3.95Å; F836-L854 HydrophobicContact CE2-CB 4.5Å; F836-L854 HydrophobicContact CE2-CD1 4Å; F836-L854 HydrophobicContact CE2-CD2 3.92Å; F836-L854 HydrophobicContact CE2-CG 4.37Å; F836-L854 HydrophobicContact CG-CD2 3.96Å; F836-L854 HydrophobicContact CZ-CD2 3.93Å; D852-L854 PolarHBondContact O-N 2.89Å; L854-I861 WeakPolarHBondContact O-CG2 3.19Å; L854-I870 HydrophobicContact CD2-CG2 3.57Å
855F94.6Very high95.1Very high0 Ų037.2 Ų37.20%018%0.178CC..THydrogen-bonded Turntrans-112.4-24-172.3-62.6-38.5000114.3D852 T857 N858 I861 L862 I870 A871 I874 Y899D852-F855 PolarHBondContact O-N 3.23Å; F855-T857 PolarHBondContact O-N 2.85Å; F855-T857 VanDerWaalsContact O-N 3.1Å; F855-N858 WeakPolarHBondContact O-CB 3.35Å; F855-N858 PolarHBondContact O-N 3.03Å; F855-I861 HydrophobicContact CD1-CG2 4.27Å; F855-L862 HydrophobicContact CD2-CD1 4.17Å; F855-L862 HydrophobicContact CE2-CD1 4.3Å; F855-L862 HydrophobicContact CG-CD1 4.35Å; F855-I870 HydrophobicContact CE1-CG2 4.21Å; F855-I870 HydrophobicContact CZ-CG2 4.06Å; F855-I870 WeakPolarHBondContact CZ-O 3.39Å; F855-A871 HydrophobicContact CE2-CB 3.96Å; F855-A871 HydrophobicContact CZ-CB 4Å; F855-I874 HydrophobicContact CB-CD1 3.82Å; F855-I874 HydrophobicContact CB-CG1 4.12Å; F855-I874 HydrophobicContact CD2-CB 4.09Å; F855-I874 HydrophobicContact CD2-CD1 4.33Å; F855-I874 HydrophobicContact CD2-CG1 4.03Å; F855-I874 HydrophobicContact CG-CD1 4.44Å; F855-Y899 HydrophobicContact CE2-CE1 4.38Å; F855-Y899 HydrophobicContact CZ-CE1 4.47Å
856V93.1Very high95.2Very high0 Ų032.3 Ų32.30%015%0.152CC..THydrogen-bonded Turntrans46.838.8176.9-65.60000114.3R581 E582 D852 D853 N858 I861 Q880R581-V856 HydrophobicContact CB-CG2 3.84Å; E582-V856 HydrophobicContact CG-CB 3.92Å; E582-V856 HydrophobicContact CG-CG1 3.55Å; D852-V856 WeakPolarHBondContact O-CA 3.26Å; D852-V856 PolarHBondContact O-N 3.06Å; D853-V856 WeakPolarHBondContact O-CG1 3.44Å; V856-N858 HydrophobicContact CG2-CB 3.9Å; V856-N858 PolarHBondContact O-N 3.37Å; V856-I861 HydrophobicContact CG2-CD1 3.68Å; V856-Q880 VanDerWaalsContact C-OE1 3.28Å; V856-Q880 HydrophobicContact CB-CB 4.35Å; V856-Q880 WeakPolarHBondContact O-CB 3.49Å
857T94.7Very high95.3Very high0 Ų031.5 Ų31.50%015%0.15CC..THydrogen-bonded Turntrans54.314.8-175.6-50.60000113.8F855 L875 I876 K877 Q880 I881 A890F855-T857 PolarHBondContact O-N 2.85Å; F855-T857 VanDerWaalsContact O-N 3.1Å; T857-L875 PolarHBondContact OG1-O 2.67Å; T857-I876 HydrophobicContact CG2-CD1 4.07Å; T857-I876 HydrophobicContact CG2-CG2 4.08Å; T857-K877 PolarHBondContact OG1-N 3.17Å; T857-K877 PolarHBondContact OG1-O 3.13Å; T857-Q880 PolarHBondContact OG1-OE1 2.95Å; T857-I881 HydrophobicContact CG2-CB 4.17Å; T857-I881 HydrophobicContact CG2-CG2 3.89Å; T857-A890 HydrophobicContact CG2-CB 4.12Å; T857-A890 WeakPolarHBondContact O-CB 2.83Å
858N93.9Very high95.2Very high30 Ų3036.5 Ų36.516%0.1617%0.172CC..  trans-93.2119-171.7-175-45.2000110.6F855 V856 K860 I861 L862 I881F855-N858 WeakPolarHBondContact O-CB 3.35Å; F855-N858 PolarHBondContact O-N 3.03Å; V856-N858 HydrophobicContact CG2-CB 3.9Å; V856-N858 PolarHBondContact O-N 3.37Å; N858-K860 VanDerWaalsContact C-N 3.25Å; N858-K860 PolarHBondContact O-N 3.16Å; N858-K860 WeakPolarHBondContact OD1-CB 3.4Å; N858-K860 PolarHBondContact OD1-N 2.95Å; N858-I861 HydrophobicContact CB-CB 4.27Å; N858-I861 HydrophobicContact CB-CD1 3.92Å; N858-I861 HydrophobicContact CB-CG1 4.12Å; N858-I861 PolarHBondContact O-N 3.24Å; N858-I861 PolarHBondContact OD1-N 3.02Å; N858-L862 WeakPolarHBondContact O-CB 3.23Å; N858-L862 PolarHBondContact O-N 3.01Å; N858-I881 HydrophobicContact CB-CD1 4.29Å
859T93.5Very high95Very high40 Ų4038.3 Ų38.325%0.24519%0.191CC..Hα-helixtrans-59.8-31-177.352.90000113.8K863 A889 A890 M893T859-K863 VanDerWaalsContact O-CB 3.23Å; T859-K863 WeakPolarHBondContact O-CB 3.35Å; T859-K863 PolarHBondContact O-N 2.97Å; T859-K863 VanDerWaalsContact O-N 3.1Å; T859-A889 HydrophobicContact CG2-CB 4.18Å; T859-A890 HydrophobicContact CG2-CB 3.96Å; T859-M893 HydrophobicContact CG2-CE 4.29Å; T859-M893 VanDerWaalsContact O-SD 3.39Å
860K93.6Very high95Very high133 Ų13338.3 Ų38.358%0.57819%0.191SC*.Hα-helixtrans-70.7-45.9177-62.2-178.6-173.5174.20111.2E636 N858 K863 E864E636-K860 IonicContact OE1-NZ 2.66Å; E636-K860 PolarHBondContact OE1-NZ 3.05Å; N858-K860 VanDerWaalsContact C-N 3.25Å; N858-K860 PolarHBondContact O-N 3.16Å; N858-K860 WeakPolarHBondContact OD1-CB 3.4Å; N858-K860 PolarHBondContact OD1-N 2.95Å; K860-K863 PolarHBondContact O-N 3.33Å; K860-E864 PolarHBondContact O-N 3.43Å
861I94.2Very high94.9Very high21 Ų2138.4 Ų38.411%0.10819%0.192CC..Hα-helixtrans-71.1-43.8-177.7-57.3172.7000110.1R581 W833 L854 F855 V856 N858 K863 E864 G865R581-I861 HydrophobicContact CB-CD1 3.79Å; R581-I861 HydrophobicContact CG-CD1 4.26Å; W833-I861 HydrophobicContact CH2-CG2 4.13Å; W833-I861 HydrophobicContact CZ2-CG2 3.88Å; L854-I861 WeakPolarHBondContact O-CG2 3.19Å; F855-I861 HydrophobicContact CD1-CG2 4.27Å; V856-I861 HydrophobicContact CG2-CD1 3.68Å; N858-I861 HydrophobicContact CB-CB 4.27Å; N858-I861 HydrophobicContact CB-CD1 3.92Å; N858-I861 HydrophobicContact CB-CG1 4.12Å; N858-I861 PolarHBondContact O-N 3.24Å; N858-I861 PolarHBondContact OD1-N 3.02Å; I861-K863 VanDerWaalsContact C-N 3.29Å; I861-K863 PolarHBondContact O-N 3.13Å; I861-E864 PolarHBondContact O-N 3.42Å; I861-G865 PolarHBondContact O-N 3.43Å
862L96.5Very high95Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-57.2-43.8174.2174.560.3000111.2F855 N858 E864 G865 I866 I874 M893 A894F855-L862 HydrophobicContact CD2-CD1 4.17Å; F855-L862 HydrophobicContact CE2-CD1 4.3Å; F855-L862 HydrophobicContact CG-CD1 4.35Å; N858-L862 WeakPolarHBondContact O-CB 3.23Å; N858-L862 PolarHBondContact O-N 3.01Å; L862-E864 VanDerWaalsContact C-N 3.34Å; L862-E864 PolarHBondContact O-N 3.01Å; L862-G865 PolarHBondContact O-N 3.28Å; L862-G865 VanDerWaalsContact O-N 3.16Å; L862-I866 HydrophobicContact CD1-CD1 3.9Å; L862-I866 HydrophobicContact CD1-CG1 4.07Å; L862-I866 HydrophobicContact CD2-CD1 4.39Å; L862-I866 HydrophobicContact CG-CD1 3.75Å; L862-I866 HydrophobicContact CG-CG1 4.39Å; L862-I866 VanDerWaalsContact O-CG1 3.31Å; L862-I866 WeakPolarHBondContact O-CG1 3.25Å; L862-I866 PolarHBondContact O-N 2.88Å; L862-I874 HydrophobicContact CB-CD1 4.28Å; L862-I874 HydrophobicContact CD1-CB 4.33Å; L862-I874 HydrophobicContact CD1-CD1 4.04Å; L862-I874 HydrophobicContact CD2-CD1 3.81Å; L862-I874 HydrophobicContact CG-CD1 4.24Å; L862-M893 HydrophobicContact CD2-CB 4.29Å; L862-M893 HydrophobicContact CD2-CG 4.22Å; L862-M893 HydrophobicContact CD2-SD 4.17Å; L862-M893 HydrophobicContact CG-SD 4.29Å; L862-A894 HydrophobicContact CD2-CB 4.08Å
863K97.2Very high95.2Very high113 Ų11338.7 Ų38.749%0.49119%0.193SC..Hα-helixtrans-58.9-45.9176.9-176.1179.7176.5-1740111.8T859 K860 I861 G865 I866 E867 M893T859-K863 VanDerWaalsContact O-CB 3.23Å; T859-K863 WeakPolarHBondContact O-CB 3.35Å; T859-K863 PolarHBondContact O-N 2.97Å; T859-K863 VanDerWaalsContact O-N 3.1Å; K860-K863 PolarHBondContact O-N 3.33Å; I861-K863 VanDerWaalsContact C-N 3.29Å; I861-K863 PolarHBondContact O-N 3.13Å; K863-G865 VanDerWaalsContact C-N 3.31Å; K863-G865 PolarHBondContact O-N 3.08Å; K863-I866 PolarHBondContact O-N 3.49Å; K863-E867 WeakPolarHBondContact CE-OE1 3.03Å; K863-E867 WeakPolarHBondContact O-CG 3.49Å; K863-E867 PolarHBondContact O-N 3Å; K863-M893 HydrophobicContact CB-SD 3.93Å
864E96.7Very high95.6Very high84 Ų8436.9 Ų36.939%0.39318%0.183SC..Hα-helixtrans-61.7-40175.6-172.6-179.7169.300111.7W833 K860 I861 L862 E867 K868W833-E864 HydrophobicContact CH2-CB 4.08Å; W833-E864 HydrophobicContact CH2-CG 4.01Å; W833-E864 HydrophobicContact CZ3-CB 4.24Å; W833-E864 HydrophobicContact CZ3-CG 3.81Å; K860-E864 PolarHBondContact O-N 3.43Å; I861-E864 PolarHBondContact O-N 3.42Å; L862-E864 VanDerWaalsContact C-N 3.34Å; L862-E864 PolarHBondContact O-N 3.01Å; E864-E867 PolarHBondContact O-N 2.91Å; E864-K868 HydrophobicContact CG-CD 4.13Å; E864-K868 WeakPolarHBondContact O-CB 3.26Å; E864-K868 WeakPolarHBondContact O-CG 3.31Å; E864-K868 PolarHBondContact O-N 2.74Å; E864-K868 WeakPolarHBondContact OE1-CE 3.49Å; E864-K868 IonicContact OE1-NZ 2.62Å; E864-K868 PolarHBondContact OE1-NZ 2.94Å
865G96.5Very high95.9Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-59.7-48.3174.700000112.8I861 L862 K863 E867 K868 G869 I870I861-G865 PolarHBondContact O-N 3.43Å; L862-G865 PolarHBondContact O-N 3.28Å; L862-G865 VanDerWaalsContact O-N 3.16Å; K863-G865 VanDerWaalsContact C-N 3.31Å; K863-G865 PolarHBondContact O-N 3.08Å; G865-E867 PolarHBondContact O-N 3.23Å; G865-K868 CarbonylContact O-C 3.56Å; G865-K868 PolarHBondContact O-N 3.22Å; G865-G869 PolarHBondContact O-N 2.82Å; G865-I870 WeakPolarHBondContact O-CB 3.27Å; G865-I870 PolarHBondContact O-N 3.04Å
866I96.7Very high96Very high46 Ų4636.9 Ų36.924%0.23618%0.183CC..Hα-helixtrans-59.6-46.7176.7-69.3160.1000110.5L862 K863 K868 G869 M893 A897 Y899L862-I866 HydrophobicContact CD1-CD1 3.9Å; L862-I866 HydrophobicContact CD1-CG1 4.07Å; L862-I866 HydrophobicContact CD2-CD1 4.39Å; L862-I866 HydrophobicContact CG-CD1 3.75Å; L862-I866 HydrophobicContact CG-CG1 4.39Å; L862-I866 VanDerWaalsContact O-CG1 3.31Å; L862-I866 WeakPolarHBondContact O-CG1 3.25Å; L862-I866 PolarHBondContact O-N 2.88Å; K863-I866 PolarHBondContact O-N 3.49Å; I866-K868 PolarHBondContact O-N 3.38Å; I866-G869 PolarHBondContact O-N 3.49Å; I866-G869 VanDerWaalsContact O-N 3.15Å; I866-M893 HydrophobicContact CD1-CG 4.1Å; I866-A897 HydrophobicContact CD1-CB 3.59Å; I866-A897 HydrophobicContact CG1-CB 3.97Å; I866-A897 HydrophobicContact CG2-CB 3.74Å; I866-Y899 HydrophobicContact CG1-CD2 4.24Å; I866-Y899 HydrophobicContact CG1-CE1 4.46Å; I866-Y899 HydrophobicContact CG1-CE2 3.94Å
867E96.4Very high96.1Very high137 Ų13737.9 Ų37.964%0.6419%0.188SC*.Hα-helixtrans-62.7-32.2-179.6-74.2174.4-178.900112.6K863 E864 G865K863-E867 WeakPolarHBondContact CE-OE1 3.03Å; K863-E867 WeakPolarHBondContact O-CG 3.49Å; K863-E867 PolarHBondContact O-N 3Å; E864-E867 PolarHBondContact O-N 2.91Å; G865-E867 PolarHBondContact O-N 3.23Å
868K96Very high96Very high114 Ų11438.4 Ų38.450%0.49619%0.19SC..Hα-helixtrans-90.9-2.3178.3-70.8176.4176176.10114W833 E864 G865 I866 I870W833-K868 HydrophobicContact CE3-CD 3.65Å; W833-K868 HydrophobicContact CZ3-CD 3.82Å; E864-K868 HydrophobicContact CG-CD 4.13Å; E864-K868 WeakPolarHBondContact O-CB 3.26Å; E864-K868 WeakPolarHBondContact O-CG 3.31Å; E864-K868 PolarHBondContact O-N 2.74Å; E864-K868 WeakPolarHBondContact OE1-CE 3.49Å; E864-K868 IonicContact OE1-NZ 2.62Å; E864-K868 PolarHBondContact OE1-NZ 2.94Å; G865-K868 CarbonylContact O-C 3.56Å; G865-K868 PolarHBondContact O-N 3.22Å; I866-K868 PolarHBondContact O-N 3.38Å; K868-I870 HydrophobicContact CB-CD1 4.3Å; K868-I870 HydrophobicContact CB-CG1 3.63Å
869G95.1Very high95.9Very high39 Ų3937.3 Ų37.340%0.40218%0.184SC..THydrogen-bonded Turntrans65.538.6-177.500000112.9T840 G865 I866T840-G869 WeakPolarHBondContact CG2-O 3.32Å; G865-G869 PolarHBondContact O-N 2.82Å; I866-G869 PolarHBondContact O-N 3.49Å; I866-G869 VanDerWaalsContact O-N 3.15Å
870I96.8Very high95.8Very high2 Ų235.5 Ų35.51%0.0117%0.173CC..  trans-93.6126.2-177.2-61.5-62.1000109.7W833 F836 A837 L854 F855 G865 K868 Y899W833-I870 HydrophobicContact CE3-CD1 4.46Å; W833-I870 HydrophobicContact CE3-CG1 3.85Å; W833-I870 HydrophobicContact CZ3-CG1 4.12Å; W833-I870 VanDerWaalsContact O-CD1 3.25Å; W833-I870 WeakPolarHBondContact O-CD1 3.43Å; F836-I870 HydrophobicContact CB-CD1 4.27Å; F836-I870 HydrophobicContact CB-CG2 3.91Å; F836-I870 HydrophobicContact CG-CG2 4.44Å; A837-I870 HydrophobicContact CB-CD1 3.59Å; L854-I870 HydrophobicContact CD2-CG2 3.57Å; F855-I870 HydrophobicContact CE1-CG2 4.21Å; F855-I870 HydrophobicContact CZ-CG2 4.06Å; F855-I870 WeakPolarHBondContact CZ-O 3.39Å; G865-I870 WeakPolarHBondContact O-CB 3.27Å; G865-I870 PolarHBondContact O-N 3.04Å; K868-I870 HydrophobicContact CB-CD1 4.3Å; K868-I870 HydrophobicContact CB-CG1 3.63Å; I870-Y899 WeakPolarHBondContact O-CE1 3.45Å; I870-Y899 PolarHBondContact O-OH 2.92Å
871A97.3Very high95.8Very high3 Ų329.7 Ų29.73%0.02515%0.148CC..  trans55.1-173.2-175.700000112.2T840 L849 F855 Y899T840-A871 WeakPolarHBondContact OG1-CA 3.46Å; T840-A871 PolarHBondContact OG1-N 2.95Å; L849-A871 HydrophobicContact CB-CB 4.17Å; L849-A871 WeakPolarHBondContact O-CB 3.12Å; F855-A871 HydrophobicContact CE2-CB 3.96Å; F855-A871 HydrophobicContact CZ-CB 4Å; A871-Y899 VanDerWaalsContact O-CZ 3.3Å; A871-Y899 PolarHBondContact O-OH 2.92Å
872N97.2Very high95.8Very high11 Ų1128.7 Ų28.76%0.05914%0.143CC..SBendtrans-143.38175.964.417.2000113.2G844 I847 Q848 L849 Y899 T900 K964G844-N872 PolarHBondContact O-ND2 3.35Å; I847-N872 PolarHBondContact O-ND2 3.01Å; Q848-N872 WeakPolarHBondContact CA-OD1 3.22Å; L849-N872 PolarHBondContact N-OD1 3.28Å; L849-N872 PolarHBondContact O-N 3.3Å; L849-N872 VanDerWaalsContact O-N 3.11Å; L849-N872 PolarHBondContact O-OD1 3.16Å; N872-Y899 WeakPolarHBondContact O-CA 3.46Å; N872-T900 PolarHBondContact O-N 3.32Å; N872-K964 HydrophobicContact CB-CG 4.07Å
873S98.1Very high95.8Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-149.7151178.5-168.20000110L849 V850 G851 T900L849-S873 WeakPolarHBondContact O-CB 3.37Å; L849-S873 PolarHBondContact O-N 2.93Å; V850-S873 WeakPolarHBondContact CA-O 3.44Å; G851-S873 PolarHBondContact N-O 3.2Å; S873-T900 VanDerWaalsContact CA-O 3.3Å; S873-T900 WeakPolarHBondContact CA-O 3.46Å; S873-T900 WeakPolarHBondContact CB-OG1 3.37Å; S873-T900 PolarHBondContact OG-O 3.5Å; S873-T900 PolarHBondContact OG-OG1 2.91Å
874I97.8Very high95.8Very high0 Ų023.3 Ų23.30%012%0.12CC..EExtended strand (participates in β ladder)trans-115141.7172.2-178.4167.3000110.2F855 L862 I876 A894 T900 A901 V902F855-I874 HydrophobicContact CB-CD1 3.82Å; F855-I874 HydrophobicContact CB-CG1 4.12Å; F855-I874 HydrophobicContact CD2-CB 4.09Å; F855-I874 HydrophobicContact CD2-CD1 4.33Å; F855-I874 HydrophobicContact CD2-CG1 4.03Å; F855-I874 HydrophobicContact CG-CD1 4.44Å; L862-I874 HydrophobicContact CB-CD1 4.28Å; L862-I874 HydrophobicContact CD1-CB 4.33Å; L862-I874 HydrophobicContact CD1-CD1 4.04Å; L862-I874 HydrophobicContact CD2-CD1 3.81Å; L862-I874 HydrophobicContact CG-CD1 4.24Å; I874-I876 HydrophobicContact CD1-CD1 3.91Å; I874-I876 HydrophobicContact CG1-CD1 3.99Å; I874-I876 HydrophobicContact CG2-CD1 3.91Å; I874-I876 HydrophobicContact CG2-CG1 4.27Å; I874-A894 HydrophobicContact CG2-CB 3.54Å; I874-T900 PolarHBondContact N-O 3.13Å; I874-A901 HydrophobicContact CG2-CB 4.27Å; I874-A901 WeakPolarHBondContact O-CA 3.33Å; I874-V902 PolarHBondContact O-N 3.28Å
875L97.3Very high95.8Very high0 Ų021.5 Ų21.50%011%0.114CC..EExtended strand (participates in β ladder)trans-89.3131.3164.7-153.793.1000109.6E825 V850 G851 D852 T857 K877 V902 S904 K928E825-L875 WeakPolarHBondContact OE1-CD2 3.44Å; V850-L875 HydrophobicContact CG1-CB 3.67Å; V850-L875 HydrophobicContact CG1-CD1 3.8Å; V850-L875 HydrophobicContact CG1-CG 4.35Å; G851-L875 PolarHBondContact O-N 2.76Å; D852-L875 HydrophobicContact CB-CB 3.75Å; D852-L875 HydrophobicContact CB-CD2 3.61Å; D852-L875 HydrophobicContact CB-CG 4.31Å; D852-L875 WeakPolarHBondContact OD2-CD2 3.49Å; T857-L875 PolarHBondContact OG1-O 2.67Å; L875-K877 HydrophobicContact CD2-CD 4.21Å; L875-K877 HydrophobicContact CD2-CG 4.17Å; L875-V902 HydrophobicContact CD1-CB 3.83Å; L875-V902 HydrophobicContact CD1-CG1 3.69Å; L875-S904 VanDerWaalsContact CD2-CB 3.44Å; L875-K928 HydrophobicContact CD1-CD 4.17Å
876I97.3Very high95.9Very high1 Ų123.8 Ų23.81%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-109.8111-175.3-59.8-70.3000109.2T857 I874 T887 A890 I891 A901 V902 I903 S904T857-I876 HydrophobicContact CG2-CD1 4.07Å; T857-I876 HydrophobicContact CG2-CG2 4.08Å; I874-I876 HydrophobicContact CD1-CD1 3.91Å; I874-I876 HydrophobicContact CG1-CD1 3.99Å; I874-I876 HydrophobicContact CG2-CD1 3.91Å; I874-I876 HydrophobicContact CG2-CG1 4.27Å; I876-T887 HydrophobicContact CG2-CG2 3.54Å; I876-A890 HydrophobicContact CD1-CB 4.14Å; I876-I891 HydrophobicContact CB-CG1 4.48Å; I876-I891 HydrophobicContact CD1-CG1 3.92Å; I876-I891 HydrophobicContact CG1-CG1 3.83Å; I876-I891 HydrophobicContact CG2-CD1 4.11Å; I876-I891 HydrophobicContact CG2-CG1 4.04Å; I876-A901 HydrophobicContact CG1-CB 4.26Å; I876-V902 PolarHBondContact N-O 3.43Å; I876-I903 HydrophobicContact CB-CD1 3.8Å; I876-I903 HydrophobicContact CG1-CD1 4.24Å; I876-I903 HydrophobicContact CG2-CD1 3.9Å; I876-S904 PolarHBondContact O-N 3.01Å
877K94.6Very high95.9Very high22 Ų2221.6 Ų21.610%0.09611%0.114CC..  trans-122.3107.6170.7-60.3-179-179.9164.60108.2D852 T857 L875 N879 Q880 H905 R906D852-K877 IonicContact OD1-NZ 2.79Å; D852-K877 VanDerWaalsContact OD2-CE 3.31Å; D852-K877 WeakPolarHBondContact OD2-CE 3.41Å; D852-K877 IonicContact OD2-NZ 2.72Å; D852-K877 PolarHBondContact OD2-NZ 2.88Å; T857-K877 PolarHBondContact OG1-N 3.17Å; T857-K877 PolarHBondContact OG1-O 3.13Å; L875-K877 HydrophobicContact CD2-CD 4.21Å; L875-K877 HydrophobicContact CD2-CG 4.17Å; K877-N879 PolarHBondContact O-N 2.8Å; K877-Q880 HydrophobicContact CB-CG 3.96Å; K877-Q880 WeakPolarHBondContact O-CB 3.2Å; K877-Q880 PolarHBondContact O-N 3.09Å; K877-H905 WeakPolarHBondContact CD-O 3.21Å; K877-H905 WeakPolarHBondContact CE-O 3.31Å; K877-R906 HydrophobicContact CD-CG 4.22Å
878F93.2Very high96Very high11 Ų1115.7 Ų15.75%0.0489%0.086CC..Hα-helixtrans-61.3-20-17237.4-133.4000115.2P573 L647 L651 Q880 I881 G882 T887 T914 I915 L918P573-F878 HydrophobicContact CG-CE2 3.92Å; L647-F878 HydrophobicContact CD1-CB 3.9Å; L647-F878 HydrophobicContact CD1-CD2 4.2Å; L647-F878 HydrophobicContact CD1-CG 4.19Å; L647-F878 HydrophobicContact CD2-CD2 3.61Å; L647-F878 HydrophobicContact CD2-CE2 4.19Å; L647-F878 HydrophobicContact CD2-CG 4.4Å; L647-F878 HydrophobicContact CG-CD2 4.48Å; L651-F878 HydrophobicContact CD1-CE1 4.43Å; L651-F878 HydrophobicContact CD1-CE2 4.33Å; L651-F878 HydrophobicContact CD1-CZ 4.21Å; F878-Q880 VanDerWaalsContact C-N 3.33Å; F878-I881 PolarHBondContact O-N 3.45Å; F878-G882 WeakPolarHBondContact O-CA 3.3Å; F878-G882 PolarHBondContact O-N 3.01Å; F878-T887 WeakPolarHBondContact CA-OG1 3.38Å; F878-T887 HydrophobicContact CB-CG2 3.95Å; F878-T887 VanDerWaalsContact CB-OG1 3.23Å; F878-T887 WeakPolarHBondContact CB-OG1 3.34Å; F878-T914 HydrophobicContact CE1-CG2 4.41Å; F878-I915 HydrophobicContact CD1-CG2 4.21Å; F878-I915 HydrophobicContact CE1-CB 4.31Å; F878-I915 HydrophobicContact CE1-CG2 3.23Å; F878-I915 HydrophobicContact CE2-CG2 4.08Å; F878-I915 HydrophobicContact CZ-CB 4.42Å; F878-I915 HydrophobicContact CZ-CG2 3.16Å; F878-L918 HydrophobicContact CD1-CD2 3.73Å; F878-L918 HydrophobicContact CE1-CD2 4.15Å
879N91.7Very high96Very high6 Ų612.4 Ų12.43%0.0328%0.081CC..Hα-helixtrans-76.7-19.5174.975.4-43.8000113P573 L647 K877 I881 R906P573-N879 PolarHBondContact O-ND2 3.49Å; L647-N879 HydrophobicContact CD2-CB 3.63Å; K877-N879 PolarHBondContact O-N 2.8Å; N879-I881 VanDerWaalsContact C-N 3.25Å; N879-I881 PolarHBondContact O-N 2.98Å; N879-R906 PolarHBondContact ND2-NE 2.98Å; N879-R906 VanDerWaalsContact ND2-NE 3.17Å; N879-R906 PolarHBondContact ND2-NH2 3.3Å; N879-R906 VanDerWaalsContact ND2-NH2 3.2Å; N879-R906 WeakPolarHBondContact OD1-CG 3.39Å; N879-R906 PolarHBondContact OD1-NE 3.09Å; N879-R906 PolarHBondContact OD1-NH2 2.93Å
880Q92.1Very high96.1Very high2 Ų210.6 Ų10.61%0.0096%0.062CC..Hα-helixtrans-67.1-28.1173.4-70.1176.7-3800112.4E582 A583 D852 V856 T857 K877 F878E582-Q880 HydrophobicContact CG-CG 4.21Å; E582-Q880 WeakPolarHBondContact OE1-CG 3.38Å; E582-Q880 PolarHBondContact OE1-NE2 2.83Å; A583-Q880 WeakPolarHBondContact CB-O 3.32Å; A583-Q880 PolarHBondContact N-O 3.16Å; D852-Q880 PolarHBondContact OD1-NE2 3.41Å; V856-Q880 VanDerWaalsContact C-OE1 3.28Å; V856-Q880 HydrophobicContact CB-CB 4.35Å; V856-Q880 WeakPolarHBondContact O-CB 3.49Å; T857-Q880 PolarHBondContact OG1-OE1 2.95Å; K877-Q880 HydrophobicContact CB-CG 3.96Å; K877-Q880 WeakPolarHBondContact O-CB 3.2Å; K877-Q880 PolarHBondContact O-N 3.09Å; F878-Q880 VanDerWaalsContact C-N 3.33Å
881I93.7Very high96.2Very high11 Ų1110.5 Ų10.56%0.0566%0.061CC..Hα-helixtrans-107.4-32.5178-159.657.4000112.8K638 T857 N858 F878 N879 E886 T887K638-I881 VanDerWaalsContact CD-O 3.3Å; K638-I881 WeakPolarHBondContact CD-O 3.48Å; K638-I881 WeakPolarHBondContact CE-O 3.23Å; K638-I881 PolarHBondContact NZ-O 3.23Å; T857-I881 HydrophobicContact CG2-CB 4.17Å; T857-I881 HydrophobicContact CG2-CG2 3.89Å; N858-I881 HydrophobicContact CB-CD1 4.29Å; F878-I881 PolarHBondContact O-N 3.45Å; N879-I881 VanDerWaalsContact C-N 3.25Å; N879-I881 PolarHBondContact O-N 2.98Å; I881-E886 HydrophobicContact CB-CB 4.44Å; I881-E886 HydrophobicContact CG1-CB 3.55Å; I881-E886 HydrophobicContact CG1-CG 4.33Å; I881-E886 HydrophobicContact CG2-CB 4.01Å; I881-T887 WeakPolarHBondContact CG2-OG1 3.35Å
882G92.9Very high96.1Very high0 Ų015.2 Ų15.20%08%0.081CC..  trans97.31.4166.600000116.8I646 L647 F878I646-G882 CarbonylContact C-O 3.56Å; I646-G882 VanDerWaalsContact CG2-O 3.29Å; I646-G882 WeakPolarHBondContact CG2-O 3.37Å; L647-G882 VanDerWaalsContact CA-O 3.3Å; L647-G882 WeakPolarHBondContact CA-O 3.43Å; L647-G882 PolarHBondContact N-O 2.99Å; L647-G882 VanDerWaalsContact N-O 3.1Å; F878-G882 WeakPolarHBondContact O-CA 3.3Å; F878-G882 PolarHBondContact O-N 3.01Å
883S96.6Very high96.1Very high0 Ų017.4 Ų17.40%09%0.092CC..SBendtrans-147.4155.2172.572.80000112.4E886 T887S883-E886 WeakPolarHBondContact CB-OE2 3.35Å; S883-E886 WeakPolarHBondContact OG-CB 3.38Å; S883-E886 VanDerWaalsContact OG-CG 3.26Å; S883-E886 WeakPolarHBondContact OG-CG 3.32Å; S883-E886 PolarHBondContact OG-N 2.94Å; S883-E886 PolarHBondContact OG-OE2 3.34Å; S883-T887 WeakPolarHBondContact O-CB 3.38Å; S883-T887 PolarHBondContact O-N 2.93Å; S883-T887 VanDerWaalsContact O-N 3.11Å; S883-T887 PolarHBondContact O-OG1 3.03Å
884L97.9Very high96.1Very high1 Ų117.4 Ų17.41%0.0059%0.092CC..Hα-helixtrans-65.2-42.8176.8-178.258000111.3Q622 S650 L651 A654 L672 E886 T887 L888 L918Q622-L884 HydrophobicContact CG-CD2 4.42Å; S650-L884 WeakPolarHBondContact OG-CB 3.32Å; S650-L884 PolarHBondContact OG-N 3.04Å; L651-L884 HydrophobicContact CD2-CB 4.1Å; L651-L884 HydrophobicContact CD2-CD1 4.17Å; L651-L884 HydrophobicContact CD2-CD2 4.44Å; L651-L884 HydrophobicContact CD2-CG 4.46Å; A654-L884 HydrophobicContact CB-CD2 3.59Å; L672-L884 HydrophobicContact CD1-CD2 4.13Å; L884-E886 PolarHBondContact O-N 3.41Å; L884-T887 WeakPolarHBondContact O-CB 3.29Å; L884-T887 PolarHBondContact O-N 3.4Å; L884-L888 HydrophobicContact CD1-CD1 4.45Å; L884-L888 HydrophobicContact CD1-CG 4.2Å; L884-L888 HydrophobicContact CG-CD1 4.22Å; L884-L888 HydrophobicContact CG-CG 4.4Å; L884-L888 WeakPolarHBondContact O-CG 3.35Å; L884-L888 PolarHBondContact O-N 3.41Å; L884-L918 HydrophobicContact CD1-CD1 4.05Å
885T97.9Very high96Very high46 Ų4621.1 Ų21.128%0.28211%0.108SC..Hα-helixtrans-60.6-46-179.6-61.20000112A623 D626 T887 L888 A889A623-T885 HydrophobicContact CB-CG2 4.22Å; D626-T885 WeakPolarHBondContact OD2-CB 3.46Å; D626-T885 PolarHBondContact OD2-N 3.3Å; D626-T885 PolarHBondContact OD2-OG1 3.25Å; T885-T887 VanDerWaalsContact C-N 3.32Å; T885-T887 PolarHBondContact O-N 3.36Å; T885-L888 PolarHBondContact O-N 2.7Å; T885-A889 PolarHBondContact O-N 3.08Å
886E97Very high95.9Very high47 Ų4726.9 Ų26.922%0.2214%0.139CC..Hα-helixtrans-67.4-34.3177.2-67.5167.6108.400111.9I630 K638 I881 S883 L884 A889 A890I630-E886 HydrophobicContact CD1-CG 4.2Å; I630-E886 VanDerWaalsContact CD1-OE2 3.31Å; I630-E886 WeakPolarHBondContact CD1-OE2 3.43Å; K638-E886 WeakPolarHBondContact CE-OE2 3.49Å; K638-E886 IonicContact NZ-OE1 3.88Å; K638-E886 PolarHBondContact NZ-OE1 3.28Å; K638-E886 IonicContact NZ-OE2 3.14Å; K638-E886 PolarHBondContact NZ-OE2 3.45Å; I881-E886 HydrophobicContact CB-CB 4.44Å; I881-E886 HydrophobicContact CG1-CB 3.55Å; I881-E886 HydrophobicContact CG1-CG 4.33Å; I881-E886 HydrophobicContact CG2-CB 4.01Å; S883-E886 WeakPolarHBondContact CB-OE2 3.35Å; S883-E886 WeakPolarHBondContact OG-CB 3.38Å; S883-E886 VanDerWaalsContact OG-CG 3.26Å; S883-E886 WeakPolarHBondContact OG-CG 3.32Å; S883-E886 PolarHBondContact OG-N 2.94Å; S883-E886 PolarHBondContact OG-OE2 3.34Å; L884-E886 PolarHBondContact O-N 3.41Å; E886-A889 WeakPolarHBondContact O-CB 3.24Å; E886-A889 PolarHBondContact O-N 2.73Å; E886-A890 PolarHBondContact O-N 3.45Å
887T97.6Very high95.9Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-61.6-47.7174.5-58.80000111.3I876 F878 I881 S883 L884 T885 A889 A890 I891 L918I876-T887 HydrophobicContact CG2-CG2 3.54Å; F878-T887 WeakPolarHBondContact CA-OG1 3.38Å; F878-T887 HydrophobicContact CB-CG2 3.95Å; F878-T887 VanDerWaalsContact CB-OG1 3.23Å; F878-T887 WeakPolarHBondContact CB-OG1 3.34Å; I881-T887 WeakPolarHBondContact CG2-OG1 3.35Å; S883-T887 WeakPolarHBondContact O-CB 3.38Å; S883-T887 PolarHBondContact O-N 2.93Å; S883-T887 VanDerWaalsContact O-N 3.11Å; S883-T887 PolarHBondContact O-OG1 3.03Å; L884-T887 WeakPolarHBondContact O-CB 3.29Å; L884-T887 PolarHBondContact O-N 3.4Å; T885-T887 VanDerWaalsContact C-N 3.32Å; T885-T887 PolarHBondContact O-N 3.36Å; T887-A889 VanDerWaalsContact C-N 3.29Å; T887-A889 PolarHBondContact O-N 2.71Å; T887-A890 PolarHBondContact O-N 2.87Å; T887-I891 HydrophobicContact CG2-CD1 4.18Å; T887-I891 WeakPolarHBondContact O-CG1 3.37Å; T887-I891 PolarHBondContact O-N 3.46Å; T887-L918 HydrophobicContact CG2-CD2 4.01Å
888L98Very high95.9Very high13 Ų1329.6 Ų29.67%0.06817%0.169CC..Hα-helixtrans-62-38.5177.2-67.6176.8000111.5I669 L672 N673 L884 T885 A890 I891 K892 L918 T922I669-L888 HydrophobicContact CG2-CD2 4.24Å; L672-L888 HydrophobicContact CB-CD1 3.76Å; N673-L888 HydrophobicContact CB-CD2 4.24Å; L884-L888 HydrophobicContact CD1-CD1 4.45Å; L884-L888 HydrophobicContact CD1-CG 4.2Å; L884-L888 HydrophobicContact CG-CD1 4.22Å; L884-L888 HydrophobicContact CG-CG 4.4Å; L884-L888 WeakPolarHBondContact O-CG 3.35Å; L884-L888 PolarHBondContact O-N 3.41Å; T885-L888 PolarHBondContact O-N 2.7Å; L888-A890 VanDerWaalsContact C-N 3.35Å; L888-A890 PolarHBondContact O-N 3.11Å; L888-I891 PolarHBondContact O-N 2.92Å; L888-K892 VanDerWaalsContact O-CB 3.3Å; L888-K892 WeakPolarHBondContact O-CB 3.3Å; L888-K892 PolarHBondContact O-N 2.86Å; L888-L918 HydrophobicContact CD2-CD1 3.89Å; L888-T922 HydrophobicContact CD2-CG2 3.49Å; L888-T922 VanDerWaalsContact CD2-CG2 3.49Å
889A97.2Very high96.1Very high46 Ų4630.3 Ų30.338%0.3817%0.171SC..Hα-helixtrans-62.4-40.1175.400000112.4T859 T885 E886 T887 M893T859-A889 HydrophobicContact CG2-CB 4.18Å; T885-A889 PolarHBondContact O-N 3.08Å; E886-A889 WeakPolarHBondContact O-CB 3.24Å; E886-A889 PolarHBondContact O-N 2.73Å; T887-A889 VanDerWaalsContact C-N 3.29Å; T887-A889 PolarHBondContact O-N 2.71Å; A889-M893 WeakPolarHBondContact O-CB 3.38Å; A889-M893 PolarHBondContact O-N 2.95Å
890A97.1Very high96.4Very high0 Ų031.2 Ų31.20%018%0.178CC..Hα-helixtrans-65.3-46.3175.600000112.2T857 T859 I876 E886 T887 L888 K892 M893 A894T857-A890 HydrophobicContact CG2-CB 4.12Å; T857-A890 WeakPolarHBondContact O-CB 2.83Å; T859-A890 HydrophobicContact CG2-CB 3.96Å; I876-A890 HydrophobicContact CD1-CB 4.14Å; E886-A890 PolarHBondContact O-N 3.45Å; T887-A890 PolarHBondContact O-N 2.87Å; L888-A890 VanDerWaalsContact C-N 3.35Å; L888-A890 PolarHBondContact O-N 3.11Å; A890-K892 VanDerWaalsContact C-N 3.33Å; A890-K892 PolarHBondContact O-N 3.22Å; A890-M893 PolarHBondContact O-N 3.04Å; A890-A894 PolarHBondContact O-N 3.02Å
891I97.7Very high96.6Very high0 Ų031.1 Ų31.10%018%0.177CC..Hα-helixtrans-58.7-46.9176.2-66166.1000110.5I876 T887 L888 A894 K895 A901 I903 L918 T922I876-I891 HydrophobicContact CB-CG1 4.48Å; I876-I891 HydrophobicContact CD1-CG1 3.92Å; I876-I891 HydrophobicContact CG1-CG1 3.83Å; I876-I891 HydrophobicContact CG2-CD1 4.11Å; I876-I891 HydrophobicContact CG2-CG1 4.04Å; T887-I891 HydrophobicContact CG2-CD1 4.18Å; T887-I891 WeakPolarHBondContact O-CG1 3.37Å; T887-I891 PolarHBondContact O-N 3.46Å; L888-I891 PolarHBondContact O-N 2.92Å; I891-A894 PolarHBondContact O-N 2.89Å; I891-K895 HydrophobicContact CG2-CD 4.3Å; I891-K895 WeakPolarHBondContact O-CG 3.34Å; I891-K895 PolarHBondContact O-N 3.35Å; I891-A901 HydrophobicContact CG2-CB 4.36Å; I891-I903 HydrophobicContact CD1-CD1 3.75Å; I891-I903 HydrophobicContact CG1-CD1 4.3Å; I891-L918 HydrophobicContact CD1-CD1 4.28Å; I891-L918 HydrophobicContact CD1-CD2 4.45Å; I891-L918 HydrophobicContact CD1-CG 4.4Å; I891-T922 HydrophobicContact CD1-CG2 3.91Å
892K96.4Very high96.8Very high102 Ų10230.6 Ų30.644%0.44317%0.174SC..Hα-helixtrans-61.3-47.6179.6-172.7-178.1-17870.90111.4L888 A890 A894 K895 D896L888-K892 VanDerWaalsContact O-CB 3.3Å; L888-K892 WeakPolarHBondContact O-CB 3.3Å; L888-K892 PolarHBondContact O-N 2.86Å; A890-K892 VanDerWaalsContact C-N 3.33Å; A890-K892 PolarHBondContact O-N 3.22Å; K892-A894 VanDerWaalsContact C-N 3.34Å; K892-A894 PolarHBondContact O-N 2.87Å; K892-K895 PolarHBondContact O-N 2.9Å; K892-D896 WeakPolarHBondContact O-CB 3.48Å; K892-D896 VanDerWaalsContact O-CG 3.24Å; K892-D896 PolarHBondContact O-N 3.09Å
893M97.3Very high97.1Very high58 Ų5830.7 Ų30.729%0.28618%0.175SC..Hα-helixtrans-58.9-44.3178.3-178.6-179.1-66.300112.2T859 L862 K863 I866 A889 A890 D896 A897T859-M893 HydrophobicContact CG2-CE 4.29Å; T859-M893 VanDerWaalsContact O-SD 3.39Å; L862-M893 HydrophobicContact CD2-CB 4.29Å; L862-M893 HydrophobicContact CD2-CG 4.22Å; L862-M893 HydrophobicContact CD2-SD 4.17Å; L862-M893 HydrophobicContact CG-SD 4.29Å; K863-M893 HydrophobicContact CB-SD 3.93Å; I866-M893 HydrophobicContact CD1-CG 4.1Å; A889-M893 WeakPolarHBondContact O-CB 3.38Å; A889-M893 PolarHBondContact O-N 2.95Å; A890-M893 PolarHBondContact O-N 3.04Å; M893-D896 PolarHBondContact O-N 3.48Å; M893-A897 WeakPolarHBondContact O-CB 3.4Å; M893-A897 PolarHBondContact O-N 3.28Å; M893-A897 VanDerWaalsContact O-N 3.08Å
894A97.4Very high97.1Very high0 Ų030.8 Ų30.80%018%0.175CC..Hα-helixtrans-59.1-50.8176.700000111L862 I874 A890 I891 K892 D896 A897 G898 Y899L862-A894 HydrophobicContact CD2-CB 4.08Å; I874-A894 HydrophobicContact CG2-CB 3.54Å; A890-A894 PolarHBondContact O-N 3.02Å; I891-A894 PolarHBondContact O-N 2.89Å; K892-A894 VanDerWaalsContact C-N 3.34Å; K892-A894 PolarHBondContact O-N 2.87Å; A894-D896 PolarHBondContact O-N 3.21Å; A894-A897 CarbonylContact O-C 3.37Å; A894-A897 PolarHBondContact O-N 3.2Å; A894-G898 PolarHBondContact O-N 3.27Å; A894-G898 VanDerWaalsContact O-N 3.15Å; A894-Y899 WeakPolarHBondContact O-CA 3.41Å; A894-Y899 WeakPolarHBondContact O-CB 3.3Å; A894-Y899 PolarHBondContact O-N 3.44Å
895K95.5Very high96.8Very high77 Ų7731 Ų3134%0.33518%0.176SC..Hα-helixtrans-62.6-42.8-179.6-73.8-174.3170-1640113I891 K892 A897 G898 T922 A923I891-K895 HydrophobicContact CG2-CD 4.3Å; I891-K895 WeakPolarHBondContact O-CG 3.34Å; I891-K895 PolarHBondContact O-N 3.35Å; K892-K895 PolarHBondContact O-N 2.9Å; K895-A897 PolarHBondContact O-N 2.87Å; K895-G898 PolarHBondContact O-N 3.19Å; K895-T922 PolarHBondContact NZ-O 3.31Å; K895-A923 VanDerWaalsContact NZ-C 3.29Å; K895-A923 PolarHBondContact NZ-O 3.08Å
896D95.8Very high96.5Very high121 Ų12129.2 Ų29.265%0.64716%0.164SC*.Hα-helixtrans-63.5-31.2178.4-70.6-13.4000111.4K892 M893 A894 G898K892-D896 WeakPolarHBondContact O-CB 3.48Å; K892-D896 VanDerWaalsContact O-CG 3.24Å; K892-D896 PolarHBondContact O-N 3.09Å; M893-D896 PolarHBondContact O-N 3.48Å; A894-D896 PolarHBondContact O-N 3.21Å; D896-G898 VanDerWaalsContact C-N 3.31Å
897A96.3Very high96.1Very high44 Ų4427.3 Ų27.336%0.36416%0.156SC..THydrogen-bonded Turntrans-83.8-0.217300000114.2I866 M893 A894 K895 Y899I866-A897 HydrophobicContact CD1-CB 3.59Å; I866-A897 HydrophobicContact CG1-CB 3.97Å; I866-A897 HydrophobicContact CG2-CB 3.74Å; M893-A897 WeakPolarHBondContact O-CB 3.4Å; M893-A897 PolarHBondContact O-N 3.28Å; M893-A897 VanDerWaalsContact O-N 3.08Å; A894-A897 CarbonylContact O-C 3.37Å; A894-A897 PolarHBondContact O-N 3.2Å; K895-A897 PolarHBondContact O-N 2.87Å; A897-Y899 VanDerWaalsContact C-N 3.32Å; A897-Y899 HydrophobicContact CB-CD2 4.36Å
898G95.3Very high95.7Very high36 Ų3627.3 Ų27.337%0.37116%0.156SC..THydrogen-bonded Turntrans77.711.7-177.900000114.8A894 K895 D896 K964A894-G898 PolarHBondContact O-N 3.27Å; A894-G898 VanDerWaalsContact O-N 3.15Å; K895-G898 PolarHBondContact O-N 3.19Å; D896-G898 VanDerWaalsContact C-N 3.31Å; G898-K964 PolarHBondContact O-NZ 3.07Å
899Y97.2Very high95.5Very high26 Ų2626.9 Ų26.910%0.10215%0.154CC..  trans-76.5149.8169.4-81-132.4000109.9F855 I866 I870 A871 N872 A894 A897F855-Y899 HydrophobicContact CE2-CE1 4.38Å; F855-Y899 HydrophobicContact CZ-CE1 4.47Å; I866-Y899 HydrophobicContact CG1-CD2 4.24Å; I866-Y899 HydrophobicContact CG1-CE1 4.46Å; I866-Y899 HydrophobicContact CG1-CE2 3.94Å; I870-Y899 WeakPolarHBondContact O-CE1 3.45Å; I870-Y899 PolarHBondContact O-OH 2.92Å; A871-Y899 VanDerWaalsContact O-CZ 3.3Å; A871-Y899 PolarHBondContact O-OH 2.92Å; N872-Y899 WeakPolarHBondContact O-CA 3.46Å; A894-Y899 WeakPolarHBondContact O-CA 3.41Å; A894-Y899 WeakPolarHBondContact O-CB 3.3Å; A894-Y899 PolarHBondContact O-N 3.44Å; A897-Y899 VanDerWaalsContact C-N 3.32Å; A897-Y899 HydrophobicContact CB-CD2 4.36Å
900T97.2Very high95.3Very high26 Ų2625 Ų2516%0.1614%0.138CC..EExtended strand (participates in β ladder)trans-80.8158.1165.645.50000110.7N872 S873 I874 K964N872-T900 PolarHBondContact O-N 3.32Å; S873-T900 VanDerWaalsContact CA-O 3.3Å; S873-T900 WeakPolarHBondContact CA-O 3.46Å; S873-T900 WeakPolarHBondContact CB-OG1 3.37Å; S873-T900 PolarHBondContact OG-O 3.5Å; S873-T900 PolarHBondContact OG-OG1 2.91Å; I874-T900 PolarHBondContact N-O 3.13Å; T900-K964 HydrophobicContact CG2-CB 3.99Å; T900-K964 HydrophobicContact CG2-CD 4.21Å
901A97.3Very high95.2Very high0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-125.8128.9176.600000109.6I874 I876 I891I874-A901 HydrophobicContact CG2-CB 4.27Å; I874-A901 WeakPolarHBondContact O-CA 3.33Å; I876-A901 HydrophobicContact CG1-CB 4.26Å; I891-A901 HydrophobicContact CG2-CB 4.36Å
902V98.2Very high95.1Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-111.8115.6177.8-179.40000107.9M685 V850 I874 L875 I876 Q926 K928M685-V902 HydrophobicContact SD-CG1 3.67Å; M685-V902 HydrophobicContact SD-CG2 4.26Å; V850-V902 HydrophobicContact CG2-CG2 4.46Å; I874-V902 PolarHBondContact O-N 3.28Å; L875-V902 HydrophobicContact CD1-CB 3.83Å; L875-V902 HydrophobicContact CD1-CG1 3.69Å; I876-V902 PolarHBondContact N-O 3.43Å; V902-Q926 HydrophobicContact CB-CB 4.32Å; V902-Q926 HydrophobicContact CG1-CB 4.13Å; V902-Q926 HydrophobicContact CG2-CB 3.94Å; V902-K928 HydrophobicContact CG1-CB 4.1Å
903I98.1Very high95.1Very high1 Ų128.3 Ų28.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-75.9131.2175.7-52.3-50000108.9I876 I891 I915 L918 A919 A924 Q926 I927 K928I876-I903 HydrophobicContact CB-CD1 3.8Å; I876-I903 HydrophobicContact CG1-CD1 4.24Å; I876-I903 HydrophobicContact CG2-CD1 3.9Å; I891-I903 HydrophobicContact CD1-CD1 3.75Å; I891-I903 HydrophobicContact CG1-CD1 4.3Å; I903-I915 HydrophobicContact CG2-CB 3.74Å; I903-I915 HydrophobicContact CG2-CG2 3.96Å; I903-L918 HydrophobicContact CD1-CD2 4.21Å; I903-L918 HydrophobicContact CD1-CG 4.3Å; I903-L918 HydrophobicContact CG2-CD2 4.06Å; I903-A919 HydrophobicContact CB-CB 4.06Å; I903-A919 HydrophobicContact CG1-CB 3.79Å; I903-A924 HydrophobicContact CD1-CB 3.85Å; I903-A924 HydrophobicContact CG1-CB 3.58Å; I903-Q926 PolarHBondContact N-O 3.25Å; I903-Q926 VanDerWaalsContact N-O 3.13Å; I903-I927 HydrophobicContact CB-CG1 4.48Å; I903-I927 CarbonylContact O-C 3.53Å; I903-I927 VanDerWaalsContact O-CA 3.25Å; I903-I927 WeakPolarHBondContact O-CA 3.47Å; I903-I927 WeakPolarHBondContact O-CG1 3.26Å; I903-K928 PolarHBondContact O-N 3.22Å
904S96.2Very high95.1Very high2 Ų225.8 Ų25.81%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-134158.7-173.7-165.70000114.9L875 I876 K928L875-S904 VanDerWaalsContact CD2-CB 3.44Å; I876-S904 PolarHBondContact O-N 3.01Å; S904-K928 VanDerWaalsContact CA-O 3.23Å; S904-K928 WeakPolarHBondContact CA-O 3.39Å; S904-K928 PolarHBondContact OG-O 2.9Å
905H92.9Very high95.1Very high5 Ų525.8 Ų25.82%0.02315%0.147CC..  trans-85.8-179.9175.366.6-79.8000112.4E744 K877 E909 I915 K928 T929 G930 R937E744-H905 IonicContact OE1-CD2 3.45Å; E744-H905 IonicContact OE1-NE2 3.9Å; E744-H905 PolarHBondContact OE1-NE2 3.42Å; E744-H905 IonicContact OE2-CD2 3.74Å; E744-H905 PolarHBondContact OE2-CD2 2.88Å; E744-H905 IonicContact OE2-NE2 2.68Å; E744-H905 PolarHBondContact OE2-NE2 3.48Å; K877-H905 WeakPolarHBondContact CD-O 3.21Å; K877-H905 WeakPolarHBondContact CE-O 3.31Å; H905-E909 WeakPolarHBondContact CB-OE2 3.48Å; H905-I915 HydrophobicContact CB-CD1 4.07Å; H905-K928 PolarHBondContact N-O 3.42Å; H905-K928 VanDerWaalsContact N-O 3.11Å; H905-K928 VanDerWaalsContact ND1-C 3.34Å; H905-K928 PolarHBondContact ND1-O 3.42Å; H905-T929 WeakPolarHBondContact ND1-CA 3.35Å; H905-G930 PolarHBondContact CE1-N 3Å; H905-G930 PolarHBondContact ND1-N 2.86Å; H905-R937 VanDerWaalsContact CD2-CZ 3.4Å; H905-R937 PolarHBondContact CD2-NH1 3.12Å; H905-R937 VanDerWaalsContact CG-NH1 3.31Å
906R90.4Very high95.2Very high9 Ų922.1 Ų22.13%0.03413%0.131CC..  trans-119.6163.3164.1-69.1-80.2-168.9156.140112P573 S574 E582 K877 N879 G908 E909 R937P573-R906 HydrophobicContact CB-CB 4.17Å; P573-R906 HydrophobicContact CG-CG 4.45Å; S574-R906 WeakPolarHBondContact O-CB 3.21Å; E582-R906 VanDerWaalsContact CD-NH2 3.31Å; E582-R906 IonicContact OE1-CZ 3.92Å; E582-R906 IonicContact OE1-NH1 3.21Å; E582-R906 PolarHBondContact OE1-NH1 3.42Å; E582-R906 IonicContact OE1-NH2 2.95Å; E582-R906 PolarHBondContact OE1-NH2 2.92Å; E582-R906 IonicContact OE2-CZ 3.78Å; E582-R906 IonicContact OE2-NH1 3.41Å; E582-R906 PolarHBondContact OE2-NH1 2.65Å; E582-R906 IonicContact OE2-NH2 3.44Å; E582-R906 PolarHBondContact OE2-NH2 3.41Å; K877-R906 HydrophobicContact CD-CG 4.22Å; N879-R906 PolarHBondContact ND2-NE 2.98Å; N879-R906 VanDerWaalsContact ND2-NE 3.17Å; N879-R906 PolarHBondContact ND2-NH2 3.3Å; N879-R906 VanDerWaalsContact ND2-NH2 3.2Å; N879-R906 WeakPolarHBondContact OD1-CG 3.39Å; N879-R906 PolarHBondContact OD1-NE 3.09Å; N879-R906 PolarHBondContact OD1-NH2 2.93Å; R906-G908 VanDerWaalsContact C-N 3.33Å; R906-G908 PolarHBondContact O-N 3.4Å; R906-E909 PolarHBondContact N-OE2 2.74Å; R906-E909 WeakPolarHBondContact O-CB 3.39Å; R906-R937 PolarHBondContact O-NH1 3.12Å; R906-R937 PolarHBondContact O-NH2 3.41Å
907S88.4Confident95.4Very high7 Ų716.8 Ų16.85%0.04910%0.102CC..SBendtrans-63-35.4179.556.30000113.8S550 R551 A576 E744 E909 R937S550-S907 PolarHBondContact OG-O 3.36Å; R551-S907 WeakPolarHBondContact CD-O 3.39Å; R551-S907 WeakPolarHBondContact CG-O 3.37Å; A576-S907 WeakPolarHBondContact CB-OG 3.5Å; A576-S907 PolarHBondContact N-OG 3.18Å; E744-S907 WeakPolarHBondContact OE1-CA 3.46Å; E744-S907 WeakPolarHBondContact OE1-CB 3.44Å; E744-S907 PolarHBondContact OE1-N 2.96Å; S907-E909 PolarHBondContact O-N 2.97Å; S907-R937 PolarHBondContact O-NH2 2.91Å; S907-R937 VanDerWaalsContact O-NH2 3.12Å
908G90.4Very high95.5Very high0 Ų014.7 Ų14.70%09%0.085CC..BIsolated β-bridgetrans-92.376.3167.100000111.8R551 P573 S574 R906R551-G908 VanDerWaalsContact NE-CA 3.25Å; R551-G908 VanDerWaalsContact NE-N 3.16Å; P573-G908 CarbonylContact C-O 3.57Å; P573-G908 WeakPolarHBondContact CA-O 3.47Å; S574-G908 PolarHBondContact N-O 3.49Å; S574-G908 WeakPolarHBondContact O-CA 3.49Å; S574-G908 PolarHBondContact O-N 3.17Å; R906-G908 VanDerWaalsContact C-N 3.33Å; R906-G908 PolarHBondContact O-N 3.4Å
909E92.8Very high95.6Very high4 Ų413 Ų132%0.0197%0.067CC..  trans-91.6164.2-175.6-171.152.9-107.100113.2D549 S550 H905 R906 S907 D936 R937 K940D549-E909 CarbonylContact C-O 3.53Å; D549-E909 WeakPolarHBondContact CA-O 3.21Å; S550-E909 WeakPolarHBondContact CB-O 3.13Å; S550-E909 PolarHBondContact N-O 3.08Å; S550-E909 PolarHBondContact OG-N 3.22Å; H905-E909 WeakPolarHBondContact CB-OE2 3.48Å; R906-E909 PolarHBondContact N-OE2 2.74Å; R906-E909 WeakPolarHBondContact O-CB 3.39Å; S907-E909 PolarHBondContact O-N 2.97Å; E909-D936 HydrophobicContact CB-CB 4.36Å; E909-D936 HydrophobicContact CG-CB 4.25Å; E909-R937 VanDerWaalsContact CB-CZ 3.48Å; E909-R937 IonicContact OE2-NH1 2.71Å; E909-K940 VanDerWaalsContact CG-NZ 3.34Å; E909-K940 IonicContact OE1-NZ 3.06Å; E909-K940 PolarHBondContact OE1-NZ 2.94Å; E909-K940 VanDerWaalsContact OE1-NZ 3.09Å
910T94.1Very high95.7Very high7 Ų711.8 Ų11.84%0.0436%0.062CC..  trans-115.2174.2177.170.70000110.4I547 T555 A571 D912 D936 K940I547-T910 HydrophobicContact CD1-CG2 4.31Å; T555-T910 HydrophobicContact CG2-CG2 4.07Å; A571-T910 HydrophobicContact CB-CG2 3.83Å; T910-D912 PolarHBondContact O-N 2.94Å; T910-D912 VanDerWaalsContact OG1-CB 3.27Å; T910-D912 WeakPolarHBondContact OG1-CB 3.44Å; T910-D912 PolarHBondContact OG1-N 2.74Å; T910-D936 WeakPolarHBondContact O-CB 3.4Å; T910-K940 PolarHBondContact O-NZ 3.04Å
911E93.9Very high95.7Very high127 Ų12710.5 Ų10.559%0.5936%0.055SC*.SBendtrans-76.8-0.7172.2-63.5-165.8153.300113.2A913 S935E911-A913 PolarHBondContact O-N 3.42Å; E911-S935 VanDerWaalsContact OE1-CB 3.25Å; E911-S935 WeakPolarHBondContact OE1-CB 2.94Å; E911-S935 PolarHBondContact OE1-OG 3.24Å
912D95.9Very high95.7Very high26 Ų2610.6 Ų10.614%0.1396%0.055CC..  trans-64116.6176.4-168.7-24.2000110.8A570 A571 K655 T910 T914 K940A570-D912 WeakPolarHBondContact CA-OD2 3.49Å; A570-D912 WeakPolarHBondContact CB-OD2 3.33Å; A571-D912 HydrophobicContact CB-CB 4.39Å; A571-D912 PolarHBondContact N-OD2 3.43Å; K655-D912 IonicContact NZ-OD1 3.76Å; K655-D912 PolarHBondContact NZ-OD1 3.41Å; K655-D912 IonicContact NZ-OD2 2.73Å; K655-D912 PolarHBondContact NZ-OD2 3.45Å; T910-D912 PolarHBondContact O-N 2.94Å; T910-D912 VanDerWaalsContact OG1-CB 3.27Å; T910-D912 WeakPolarHBondContact OG1-CB 3.44Å; T910-D912 PolarHBondContact OG1-N 2.74Å; D912-T914 VanDerWaalsContact C-N 3.32Å; D912-T914 PolarHBondContact O-N 2.81Å; D912-T914 WeakPolarHBondContact OD1-CB 3.42Å; D912-T914 PolarHBondContact OD1-N 2.77Å; D912-T914 PolarHBondContact OD1-OG1 3.38Å; D912-K940 WeakPolarHBondContact O-CE 3.37Å; D912-K940 PolarHBondContact O-NZ 3.42Å
913A96.9Very high95.6Very high18 Ų1811.7 Ų11.715%0.1497%0.065CC..  trans-87.810.9-175.800000114.5E911 I915 A916 K940 Q943E911-A913 PolarHBondContact O-N 3.42Å; A913-I915 PolarHBondContact O-N 3.47Å; A913-A916 VanDerWaalsContact O-CB 3.31Å; A913-A916 WeakPolarHBondContact O-CB 2.89Å; A913-A916 PolarHBondContact O-N 2.9Å; A913-K940 HydrophobicContact CB-CG 4.47Å; A913-Q943 HydrophobicContact CB-CB 3.73Å; A913-Q943 HydrophobicContact CB-CG 3.94Å
914T97.5Very high95.6Very high5 Ų512 Ų123%0.0317%0.067CC..Hα-helixtrans-53.3-31.3-172.9-59.50000114.5L651 K655 L665 F878 D912 A916 D917 L918L651-T914 HydrophobicContact CD1-CG2 4.37Å; L651-T914 HydrophobicContact CD2-CG2 4.03Å; K655-T914 WeakPolarHBondContact CE-OG1 3.4Å; K655-T914 PolarHBondContact NZ-OG1 3.39Å; L665-T914 HydrophobicContact CD2-CG2 4Å; F878-T914 HydrophobicContact CE1-CG2 4.41Å; D912-T914 VanDerWaalsContact C-N 3.32Å; D912-T914 PolarHBondContact O-N 2.81Å; D912-T914 WeakPolarHBondContact OD1-CB 3.42Å; D912-T914 PolarHBondContact OD1-N 2.77Å; D912-T914 PolarHBondContact OD1-OG1 3.38Å; T914-A916 PolarHBondContact O-N 3.46Å; T914-D917 PolarHBondContact O-N 2.89Å; T914-L918 WeakPolarHBondContact O-CB 3.43Å; T914-L918 PolarHBondContact O-N 2.85Å
915I97Very high95.5Very high1 Ų111.9 Ų11.91%0.0057%0.066CC..Hα-helixtrans-61.2-30.2175.457.7175.3000113.4F878 I903 H905 A913 L918 A919 I927 K940F878-I915 HydrophobicContact CD1-CG2 4.21Å; F878-I915 HydrophobicContact CE1-CB 4.31Å; F878-I915 HydrophobicContact CE1-CG2 3.23Å; F878-I915 HydrophobicContact CE2-CG2 4.08Å; F878-I915 HydrophobicContact CZ-CB 4.42Å; F878-I915 HydrophobicContact CZ-CG2 3.16Å; I903-I915 HydrophobicContact CG2-CB 3.74Å; I903-I915 HydrophobicContact CG2-CG2 3.96Å; H905-I915 HydrophobicContact CB-CD1 4.07Å; A913-I915 PolarHBondContact O-N 3.47Å; I915-L918 PolarHBondContact O-N 3.25Å; I915-A919 WeakPolarHBondContact O-CB 3.48Å; I915-A919 PolarHBondContact O-N 3.23Å; I915-I927 HydrophobicContact CG1-CD1 4.36Å; I915-K940 HydrophobicContact CD1-CD 4.49Å; I915-K940 HydrophobicContact CD1-CG 3.82Å; I915-K940 HydrophobicContact CG1-CD 4.35Å; I915-K940 HydrophobicContact CG1-CG 3.47Å; I915-K940 VanDerWaalsContact CG1-CG 3.47Å
916A98.2Very high95.8Very high0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-67.3-47.5175.700000110.7A913 T914 L918 A919 V920 K940 Q943 L944A913-A916 VanDerWaalsContact O-CB 3.31Å; A913-A916 WeakPolarHBondContact O-CB 2.89Å; A913-A916 PolarHBondContact O-N 2.9Å; T914-A916 PolarHBondContact O-N 3.46Å; A916-L918 VanDerWaalsContact C-N 3.32Å; A916-L918 PolarHBondContact O-N 2.9Å; A916-A919 PolarHBondContact O-N 3.32Å; A916-V920 WeakPolarHBondContact O-CG2 3.37Å; A916-V920 PolarHBondContact O-N 3.22Å; A916-V920 VanDerWaalsContact O-N 3.17Å; A916-K940 HydrophobicContact CB-CB 4.44Å; A916-Q943 HydrophobicContact CB-CB 3.92Å; A916-Q943 HydrophobicContact CB-CG 3.81Å; A916-L944 HydrophobicContact CB-CD2 3.8Å; A916-L944 HydrophobicContact CB-CG 3.91Å
917D98.4Very high96.2Very high9 Ų911.2 Ų11.25%0.0486%0.063CC..Hα-helixtrans-62.1-38.8174.5-69.1-93000111.9L665 Y666 I669 T914 G921 Q943L665-D917 HydrophobicContact CB-CB 4.25Å; L665-D917 HydrophobicContact CD2-CB 3.97Å; L665-D917 HydrophobicContact CG-CB 4.07Å; Y666-D917 PolarHBondContact N-OD1 3.31Å; I669-D917 HydrophobicContact CD1-CB 4.2Å; T914-D917 PolarHBondContact O-N 2.89Å; D917-G921 WeakPolarHBondContact O-CA 3.44Å; D917-G921 PolarHBondContact O-N 3.25Å; D917-Q943 PolarHBondContact OD1-NE2 2.97Å; D917-Q943 WeakPolarHBondContact OD2-CG 3.04Å; D917-Q943 PolarHBondContact OD2-NE2 3.48Å
918L98.2Very high96.6Very high0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-64.2-45.3176-176.866.9000112I669 F878 L884 T887 L888 I891 I903 T914 I915 A916 V920 G921 T922I669-L918 HydrophobicContact CD1-CB 4.29Å; I669-L918 HydrophobicContact CD1-CD1 4.34Å; I669-L918 HydrophobicContact CG2-CD1 3.9Å; F878-L918 HydrophobicContact CD1-CD2 3.73Å; F878-L918 HydrophobicContact CE1-CD2 4.15Å; L884-L918 HydrophobicContact CD1-CD1 4.05Å; T887-L918 HydrophobicContact CG2-CD2 4.01Å; L888-L918 HydrophobicContact CD2-CD1 3.89Å; I891-L918 HydrophobicContact CD1-CD1 4.28Å; I891-L918 HydrophobicContact CD1-CD2 4.45Å; I891-L918 HydrophobicContact CD1-CG 4.4Å; I903-L918 HydrophobicContact CD1-CD2 4.21Å; I903-L918 HydrophobicContact CD1-CG 4.3Å; I903-L918 HydrophobicContact CG2-CD2 4.06Å; T914-L918 WeakPolarHBondContact O-CB 3.43Å; T914-L918 PolarHBondContact O-N 2.85Å; I915-L918 PolarHBondContact O-N 3.25Å; A916-L918 VanDerWaalsContact C-N 3.32Å; A916-L918 PolarHBondContact O-N 2.9Å; L918-V920 VanDerWaalsContact C-N 3.32Å; L918-V920 PolarHBondContact O-N 3.35Å; L918-G921 PolarHBondContact O-N 2.85Å; L918-T922 HydrophobicContact CD1-CG2 3.71Å; L918-T922 HydrophobicContact CG-CG2 4.41Å; L918-T922 WeakPolarHBondContact O-CB 3.44Å; L918-T922 WeakPolarHBondContact O-CG2 3.46Å; L918-T922 PolarHBondContact O-N 2.92Å; L918-T922 PolarHBondContact O-OG1 3.47Å
919A98.3Very high96.7Very high0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-60.5-42.4179.500000111.8P682 I903 I915 A916 A923 A924 I927P682-A919 HydrophobicContact CB-CB 4.17Å; P682-A919 HydrophobicContact CG-CB 3.92Å; I903-A919 HydrophobicContact CB-CB 4.06Å; I903-A919 HydrophobicContact CG1-CB 3.79Å; I915-A919 WeakPolarHBondContact O-CB 3.48Å; I915-A919 PolarHBondContact O-N 3.23Å; A916-A919 PolarHBondContact O-N 3.32Å; A919-A923 PolarHBondContact O-N 3.07Å; A919-A924 PolarHBondContact O-N 3.02Å; A919-I927 HydrophobicContact CB-CB 4.33Å; A919-I927 HydrophobicContact CB-CD1 4.16Å; A919-I927 HydrophobicContact CB-CG1 4.45Å
920V98.4Very high96.7Very high0 Ų010.8 Ų10.80%06%0.061CC..Hα-helixtrans-74.3-48.2178-179.70000111.6Y679 M681 A916 L918 T922 A923 L944 I947 L951Y679-V920 HydrophobicContact CD1-CG1 4.4Å; M681-V920 HydrophobicContact CE-CG2 3.95Å; M681-V920 HydrophobicContact SD-CG1 4.28Å; M681-V920 HydrophobicContact SD-CG2 3.82Å; A916-V920 WeakPolarHBondContact O-CG2 3.37Å; A916-V920 PolarHBondContact O-N 3.22Å; A916-V920 VanDerWaalsContact O-N 3.17Å; L918-V920 VanDerWaalsContact C-N 3.32Å; L918-V920 PolarHBondContact O-N 3.35Å; V920-T922 VanDerWaalsContact C-N 3.28Å; V920-T922 PolarHBondContact O-N 3.05Å; V920-A923 PolarHBondContact O-N 2.79Å; V920-L944 HydrophobicContact CG2-CD2 3.83Å; V920-I947 HydrophobicContact CB-CG2 4.23Å; V920-I947 HydrophobicContact CG1-CG2 3.79Å; V920-I947 HydrophobicContact CG2-CD1 4.26Å; V920-I947 HydrophobicContact CG2-CG2 4.03Å; V920-L951 HydrophobicContact CG1-CD1 3.89Å
921G97.6Very high96.6Very high0 Ų010.4 Ų10.40%06%0.058CC..Hα-helixtrans-65.8-27.5-175.900000114Y666 A670 D917 L918Y666-G921 WeakPolarHBondContact O-CA 3.11Å; A670-G921 VanDerWaalsContact CA-O 3.24Å; A670-G921 WeakPolarHBondContact CA-O 3.37Å; A670-G921 VanDerWaalsContact CB-O 3.29Å; A670-G921 WeakPolarHBondContact CB-O 3.44Å; D917-G921 WeakPolarHBondContact O-CA 3.44Å; D917-G921 PolarHBondContact O-N 3.25Å; L918-G921 PolarHBondContact O-N 2.85Å
922T97.6Very high96.5Very high1 Ų16.1 Ų6.11%0.0064%0.039CC..THydrogen-bonded Turntrans-94.7-3.2173.262.20000113.1I669 N673 L888 I891 K895 L918 V920 A924I669-T922 HydrophobicContact CG2-CG2 3.86Å; N673-T922 HydrophobicContact CB-CG2 4.42Å; L888-T922 HydrophobicContact CD2-CG2 3.49Å; L888-T922 VanDerWaalsContact CD2-CG2 3.49Å; I891-T922 HydrophobicContact CD1-CG2 3.91Å; K895-T922 PolarHBondContact NZ-O 3.31Å; L918-T922 HydrophobicContact CD1-CG2 3.71Å; L918-T922 HydrophobicContact CG-CG2 4.41Å; L918-T922 WeakPolarHBondContact O-CB 3.44Å; L918-T922 WeakPolarHBondContact O-CG2 3.46Å; L918-T922 PolarHBondContact O-N 2.92Å; L918-T922 PolarHBondContact O-OG1 3.47Å; V920-T922 VanDerWaalsContact C-N 3.28Å; V920-T922 PolarHBondContact O-N 3.05Å; T922-A924 PolarHBondContact O-N 3.37Å
923A97Very high96.2Very high24 Ų246 Ų620%0.1984%0.04CC..THydrogen-bonded Turntrans48.445.1-169.900000111.8S680 K895 A919 V920 G925S680-A923 VanDerWaalsContact OG-CA 3.32Å; S680-A923 WeakPolarHBondContact OG-CA 3.15Å; S680-A923 WeakPolarHBondContact OG-CB 3.49Å; K895-A923 VanDerWaalsContact NZ-C 3.29Å; K895-A923 PolarHBondContact NZ-O 3.08Å; A919-A923 PolarHBondContact O-N 3.07Å; V920-A923 PolarHBondContact O-N 2.79Å; A923-G925 PolarHBondContact O-N 3.46Å
924A96.6Very high95.9Very high6 Ų610.5 Ų10.55%0.055%0.053CC..  trans-59.5-29.6-172.300000112.7I903 A919 T922 Q926I903-A924 HydrophobicContact CD1-CB 3.85Å; I903-A924 HydrophobicContact CG1-CB 3.58Å; A919-A924 PolarHBondContact O-N 3.02Å; T922-A924 PolarHBondContact O-N 3.37Å; A924-Q926 VanDerWaalsContact C-N 3.33Å; A924-Q926 PolarHBondContact O-N 3.33Å
925G96Very high95.6Very high0 Ų013.6 Ų13.60%08%0.075CC..EExtended strand (participates in β ladder)trans94.6-29.417700000113.6P682 V683 A923 E962P682-G925 CarbonylContact C-O 3.54Å; P682-G925 VanDerWaalsContact CA-O 3.32Å; P682-G925 WeakPolarHBondContact CA-O 3.46Å; V683-G925 PolarHBondContact N-O 3.13Å; A923-G925 PolarHBondContact O-N 3.46Å; G925-E962 VanDerWaalsContact CA-CD 3.42Å; G925-E962 VanDerWaalsContact CA-OE2 3.23Å; G925-E962 WeakPolarHBondContact CA-OE2 3.38Å; G925-E962 WeakPolarHBondContact O-CB 3.34Å; G925-E962 WeakPolarHBondContact O-CG 3.23Å
926Q98.2Very high95.4Very high0 Ų014.1 Ų14.10%08%0.078CC..EExtended strand (participates in β ladder)trans-139.8151.2-177.7-66.1174.776.800111.9V683 V902 I903 A924 E962V683-Q926 HydrophobicContact CB-CG 4.32Å; V683-Q926 WeakPolarHBondContact O-CA 3.26Å; V902-Q926 HydrophobicContact CB-CB 4.32Å; V902-Q926 HydrophobicContact CG1-CB 4.13Å; V902-Q926 HydrophobicContact CG2-CB 3.94Å; I903-Q926 PolarHBondContact N-O 3.25Å; I903-Q926 VanDerWaalsContact N-O 3.13Å; A924-Q926 VanDerWaalsContact C-N 3.33Å; A924-Q926 PolarHBondContact O-N 3.33Å; Q926-E962 HydrophobicContact CG-CB 4.13Å; Q926-E962 PolarHBondContact NE2-O 2.82Å
927I98.1Very high95.2Very high0 Ų014.1 Ų14.10%08%0.078CC..EExtended strand (participates in β ladder)trans-140129.9175.5-167.6175.3000111.1P682 V683 P684 M685 I903 I915 A919 T929 L944P682-I927 HydrophobicContact CB-CB 3.89Å; P682-I927 HydrophobicContact CB-CG2 3.76Å; P682-I927 HydrophobicContact CG-CB 4.01Å; P682-I927 HydrophobicContact CG-CG2 3.65Å; V683-I927 PolarHBondContact O-N 3.22Å; P684-I927 CarbonylContact C-O 3.17Å; P684-I927 WeakPolarHBondContact CA-O 3.46Å; P684-I927 HydrophobicContact CB-CG2 4.36Å; M685-I927 PolarHBondContact N-O 3.23Å; I903-I927 HydrophobicContact CB-CG1 4.48Å; I903-I927 CarbonylContact O-C 3.53Å; I903-I927 VanDerWaalsContact O-CA 3.25Å; I903-I927 WeakPolarHBondContact O-CA 3.47Å; I903-I927 WeakPolarHBondContact O-CG1 3.26Å; I915-I927 HydrophobicContact CG1-CD1 4.36Å; A919-I927 HydrophobicContact CB-CB 4.33Å; A919-I927 HydrophobicContact CB-CD1 4.16Å; A919-I927 HydrophobicContact CB-CG1 4.45Å; I927-T929 HydrophobicContact CD1-CG2 4.4Å; I927-L944 HydrophobicContact CD1-CD1 4.32Å; I927-L944 HydrophobicContact CG2-CD1 4.05Å
928K96.7Very high95Very high2 Ų215.6 Ų15.61%0.0099%0.087CC..EExtended strand (participates in β ladder)trans-108.5103.3171.8178.5-178.5173.9-175.60107.6M685 E703 M705 D781 E825 L875 V902 I903 S904 H905M685-K928 HydrophobicContact CB-CB 4.1Å; M685-K928 HydrophobicContact CB-CG 4.45Å; E703-K928 IonicContact OE1-NZ 2.83Å; E703-K928 WeakPolarHBondContact OE2-CE 3.45Å; E703-K928 IonicContact OE2-NZ 3.51Å; M705-K928 HydrophobicContact SD-CD 3.98Å; M705-K928 HydrophobicContact SD-CG 4.11Å; D781-K928 IonicContact OD2-NZ 3.62Å; D781-K928 PolarHBondContact OD2-NZ 2.88Å; E825-K928 IonicContact OE1-NZ 2.74Å; E825-K928 PolarHBondContact OE1-NZ 3.07Å; E825-K928 WeakPolarHBondContact OE2-CD 3.42Å; E825-K928 IonicContact OE2-NZ 3.72Å; E825-K928 PolarHBondContact OE2-NZ 2.98Å; L875-K928 HydrophobicContact CD1-CD 4.17Å; V902-K928 HydrophobicContact CG1-CB 4.1Å; I903-K928 PolarHBondContact O-N 3.22Å; S904-K928 VanDerWaalsContact CA-O 3.23Å; S904-K928 WeakPolarHBondContact CA-O 3.39Å; S904-K928 PolarHBondContact OG-O 2.9Å; H905-K928 PolarHBondContact N-O 3.42Å; H905-K928 VanDerWaalsContact N-O 3.11Å; H905-K928 VanDerWaalsContact ND1-C 3.34Å; H905-K928 PolarHBondContact ND1-O 3.42Å
929T93.7Very high94.9Very high0 Ų016.7 Ų16.70%010%0.096CC..  trans-128.927.4-176.4-170.60000113.6H905 I927 R937 K940 Y941H905-T929 WeakPolarHBondContact ND1-CA 3.35Å; I927-T929 HydrophobicContact CD1-CG2 4.4Å; T929-R937 WeakPolarHBondContact O-CB 3.08Å; T929-R937 VanDerWaalsContact O-CD 3.29Å; T929-R937 WeakPolarHBondContact O-CD 3.49Å; T929-K940 HydrophobicContact CG2-CB 3.95Å; T929-K940 WeakPolarHBondContact OG1-CB 3.33Å; T929-K940 WeakPolarHBondContact OG1-CG 3.42Å; T929-Y941 HydrophobicContact CG2-CD1 3.97Å; T929-Y941 HydrophobicContact CG2-CD2 4.38Å; T929-Y941 HydrophobicContact CG2-CE1 3.41Å; T929-Y941 VanDerWaalsContact CG2-CE1 3.41Å; T929-Y941 HydrophobicContact CG2-CE2 3.89Å; T929-Y941 HydrophobicContact CG2-CG 4.4Å
930G91.4Very high94.9Very high0 Ų016.7 Ų16.70%010%0.096CC..  trans82.4-159.8176.900000113.5H905 Y941H905-G930 PolarHBondContact CE1-N 3Å; H905-G930 PolarHBondContact ND1-N 2.86Å; G930-Y941 PolarHBondContact O-OH 3.13Å
931S92.6Very high94.8Very high0 Ų016.8 Ų16.80%010%0.097CC..  trans-88.2178.9-173.1-169.60000114.6N687 F725 E744 G745 S933N687-S931 VanDerWaalsContact O-CA 3.26Å; N687-S931 WeakPolarHBondContact O-CA 3.1Å; N687-S931 WeakPolarHBondContact O-CB 3.34Å; N687-S931 PolarHBondContact O-OG 2.79Å; F725-S931 WeakPolarHBondContact CD2-OG 3.21Å; F725-S931 WeakPolarHBondContact CE2-OG 3.42Å; E744-S931 WeakPolarHBondContact O-CB 3.2Å; E744-S931 PolarHBondContact O-N 3.28Å; G745-S931 WeakPolarHBondContact O-CB 3.37Å; G745-S931 PolarHBondContact O-OG 3.43Å; S931-S933 PolarHBondContact O-N 2.98Å; S931-S933 VanDerWaalsContact O-N 3.08Å
932M92Very high94.8Very high36 Ų3620.1 Ų20.118%0.17711%0.114CC..SBendtrans-78.830.3170.5-62.9-57.2-69.900112.6M686 I718 F725 Y941M686-M932 HydrophobicContact CE-SD 4.01Å; M686-M932 HydrophobicContact SD-CG 4.14Å; M686-M932 HydrophobicContact SD-SD 3.97Å; I718-M932 HydrophobicContact CG2-CE 3.57Å; I718-M932 HydrophobicContact CG2-SD 4.3Å; F725-M932 HydrophobicContact CB-CB 4.2Å; F725-M932 HydrophobicContact CB-CG 4.46Å; F725-M932 HydrophobicContact CD1-CB 3.98Å; F725-M932 HydrophobicContact CG-CB 4.07Å; M932-Y941 HydrophobicContact SD-CD2 3.84Å; M932-Y941 HydrophobicContact SD-CE2 3.86Å; M932-Y941 HydrophobicContact SD-CG 4.5Å
933S89.7Confident94.9Very high23 Ų2321.9 Ų21.916%0.16112%0.122CC..  trans-140.3163176.379.50000110G745 S931 R937G745-S933 VanDerWaalsContact CA-OG 3.3Å; G745-S933 WeakPolarHBondContact CA-OG 3.38Å; G745-S933 PolarHBondContact O-OG 3.39Å; S931-S933 PolarHBondContact O-N 2.98Å; S931-S933 VanDerWaalsContact O-N 3.08Å; S933-R937 WeakPolarHBondContact O-CB 3.32Å
934R90Very high94.9Very high113 Ų11320.7 Ų20.743%0.42611%0.113SC..SBendtrans70.6136.6-172.1-45.9-78.3-171.7155.34.8113.6G742 D936 R937 V938G742-R934 PolarHBondContact O-NH2 3.26Å; R934-D936 VanDerWaalsContact CB-OD1 3.26Å; R934-D936 WeakPolarHBondContact CB-OD1 3.32Å; R934-R937 HydrophobicContact CB-CG 3.99Å; R934-R937 PolarHBondContact O-N 3.2Å; R934-V938 WeakPolarHBondContact O-CB 3.5Å; R934-V938 VanDerWaalsContact O-CG2 3.28Å; R934-V938 WeakPolarHBondContact O-CG2 3.4Å; R934-V938 PolarHBondContact O-N 2.89Å; R934-V938 VanDerWaalsContact O-N 3.11Å
935S92Very high95Very high70 Ų7022 Ų2249%0.4912%0.119SC..Hα-helixtrans-69.5-37.7-172.658.40000112.5E911 R937 V938 A939E911-S935 VanDerWaalsContact OE1-CB 3.25Å; E911-S935 WeakPolarHBondContact OE1-CB 2.94Å; E911-S935 PolarHBondContact OE1-OG 3.24Å; S935-R937 VanDerWaalsContact C-N 3.27Å; S935-R937 PolarHBondContact O-N 3.46Å; S935-V938 PolarHBondContact O-N 3.23Å; S935-A939 VanDerWaalsContact O-CB 3.28Å; S935-A939 WeakPolarHBondContact O-CB 3.36Å; S935-A939 PolarHBondContact O-N 3.36Å
936D92.8Very high95.1Very high12 Ų1228.9 Ų28.96%0.06415%0.145CC..Hα-helixtrans-60.3-33.6177.656.9-70.3000113E909 T910 R934 K940E909-D936 HydrophobicContact CB-CB 4.36Å; E909-D936 HydrophobicContact CG-CB 4.25Å; T910-D936 WeakPolarHBondContact O-CB 3.4Å; R934-D936 VanDerWaalsContact CB-OD1 3.26Å; R934-D936 WeakPolarHBondContact CB-OD1 3.32Å; D936-K940 WeakPolarHBondContact O-CD 3.19Å; D936-K940 WeakPolarHBondContact O-CE 3.46Å; D936-K940 PolarHBondContact O-NZ 3.15Å
937R93.8Very high95.1Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-78.2-51.7174.7-50.9-58177-157.2-6.8111.4E744 H905 R906 S907 E909 T929 S933 R934 S935 A939 K940E744-R937 IonicContact OE2-CZ 3.95Å; E744-R937 IonicContact OE2-NE 2.73Å; E744-R937 PolarHBondContact OE2-NE 3.44Å; E744-R937 IonicContact OE2-NH1 3.5Å; E744-R937 IonicContact OE2-NH2 2.79Å; E744-R937 PolarHBondContact OE2-NH2 2.93Å; H905-R937 VanDerWaalsContact CD2-CZ 3.4Å; H905-R937 PolarHBondContact CD2-NH1 3.12Å; H905-R937 VanDerWaalsContact CG-NH1 3.31Å; R906-R937 PolarHBondContact O-NH1 3.12Å; R906-R937 PolarHBondContact O-NH2 3.41Å; S907-R937 PolarHBondContact O-NH2 2.91Å; S907-R937 VanDerWaalsContact O-NH2 3.12Å; E909-R937 VanDerWaalsContact CB-CZ 3.48Å; E909-R937 IonicContact OE2-NH1 2.71Å; T929-R937 WeakPolarHBondContact O-CB 3.08Å; T929-R937 VanDerWaalsContact O-CD 3.29Å; T929-R937 WeakPolarHBondContact O-CD 3.49Å; S933-R937 WeakPolarHBondContact O-CB 3.32Å; R934-R937 HydrophobicContact CB-CG 3.99Å; R934-R937 PolarHBondContact O-N 3.2Å; S935-R937 VanDerWaalsContact C-N 3.27Å; S935-R937 PolarHBondContact O-N 3.46Å; R937-A939 PolarHBondContact O-N 3.3Å; R937-K940 PolarHBondContact O-N 3.5Å; R937-K940 VanDerWaalsContact O-N 3.12Å
938V94.6Very high95.1Very high41 Ų4130.2 Ų30.225%0.24815%0.151CC..Hα-helixtrans-63-28.7-178174.10000112R934 S935 K940 Y941 N942R934-V938 WeakPolarHBondContact O-CB 3.5Å; R934-V938 VanDerWaalsContact O-CG2 3.28Å; R934-V938 WeakPolarHBondContact O-CG2 3.4Å; R934-V938 PolarHBondContact O-N 2.89Å; R934-V938 VanDerWaalsContact O-N 3.11Å; S935-V938 PolarHBondContact O-N 3.23Å; V938-K940 VanDerWaalsContact C-N 3.26Å; V938-K940 PolarHBondContact O-N 3.4Å; V938-Y941 PolarHBondContact O-N 3.21Å; V938-N942 WeakPolarHBondContact O-CB 3.49Å; V938-N942 PolarHBondContact O-N 2.79Å; V938-N942 PolarHBondContact O-ND2 2.88Å
939A96.6Very high95.1Very high23 Ų2335.4 Ų35.419%0.1918%0.175CC..Hα-helixtrans-54.4-40.317400000112.6S935 R937 Q943S935-A939 VanDerWaalsContact O-CB 3.28Å; S935-A939 WeakPolarHBondContact O-CB 3.36Å; S935-A939 PolarHBondContact O-N 3.36Å; R937-A939 PolarHBondContact O-N 3.3Å; A939-Q943 PolarHBondContact O-N 3.45Å
940K97Very high95.1Very high0 Ų038.7 Ų38.70%020%0.202CC..Hα-helixtrans-71.1-43.2179-75.970.8160.41670112E909 T910 D912 A913 I915 A916 T929 D936 R937 V938 N942 Q943 L944E909-K940 VanDerWaalsContact CG-NZ 3.34Å; E909-K940 IonicContact OE1-NZ 3.06Å; E909-K940 PolarHBondContact OE1-NZ 2.94Å; E909-K940 VanDerWaalsContact OE1-NZ 3.09Å; T910-K940 PolarHBondContact O-NZ 3.04Å; D912-K940 WeakPolarHBondContact O-CE 3.37Å; D912-K940 PolarHBondContact O-NZ 3.42Å; A913-K940 HydrophobicContact CB-CG 4.47Å; I915-K940 HydrophobicContact CD1-CD 4.49Å; I915-K940 HydrophobicContact CD1-CG 3.82Å; I915-K940 HydrophobicContact CG1-CD 4.35Å; I915-K940 HydrophobicContact CG1-CG 3.47Å; I915-K940 VanDerWaalsContact CG1-CG 3.47Å; A916-K940 HydrophobicContact CB-CB 4.44Å; T929-K940 HydrophobicContact CG2-CB 3.95Å; T929-K940 WeakPolarHBondContact OG1-CB 3.33Å; T929-K940 WeakPolarHBondContact OG1-CG 3.42Å; D936-K940 WeakPolarHBondContact O-CD 3.19Å; D936-K940 WeakPolarHBondContact O-CE 3.46Å; D936-K940 PolarHBondContact O-NZ 3.15Å; R937-K940 PolarHBondContact O-N 3.5Å; R937-K940 VanDerWaalsContact O-N 3.12Å; V938-K940 VanDerWaalsContact C-N 3.26Å; V938-K940 PolarHBondContact O-N 3.4Å; K940-N942 VanDerWaalsContact C-N 3.32Å; K940-N942 PolarHBondContact O-N 3.31Å; K940-Q943 WeakPolarHBondContact O-CB 3.44Å; K940-Q943 PolarHBondContact O-N 3.02Å; K940-Q943 VanDerWaalsContact O-N 3.16Å; K940-L944 WeakPolarHBondContact O-CG 3.3Å; K940-L944 PolarHBondContact O-N 3.41Å
941Y97.7Very high95.2Very high2 Ų239.2 Ų39.21%0.00821%0.205CC..Hα-helixtrans-60.5-42.8174.6-68.3-50.9000111.8P684 M686 I718 T929 G930 M932 V938 Q943 L944 I945P684-Y941 HydrophobicContact CB-CE1 3.73Å; M686-Y941 HydrophobicContact CE-CD1 4.28Å; M686-Y941 HydrophobicContact CE-CE1 3.8Å; M686-Y941 WeakPolarHBondContact CG-OH 3.29Å; I718-Y941 HydrophobicContact CD1-CD1 4.1Å; I718-Y941 HydrophobicContact CD1-CG 4.43Å; I718-Y941 HydrophobicContact CG1-CD1 3.98Å; I718-Y941 HydrophobicContact CG1-CG 4.42Å; T929-Y941 HydrophobicContact CG2-CD1 3.97Å; T929-Y941 HydrophobicContact CG2-CD2 4.38Å; T929-Y941 HydrophobicContact CG2-CE1 3.41Å; T929-Y941 VanDerWaalsContact CG2-CE1 3.41Å; T929-Y941 HydrophobicContact CG2-CE2 3.89Å; T929-Y941 HydrophobicContact CG2-CG 4.4Å; G930-Y941 PolarHBondContact O-OH 3.13Å; M932-Y941 HydrophobicContact SD-CD2 3.84Å; M932-Y941 HydrophobicContact SD-CE2 3.86Å; M932-Y941 HydrophobicContact SD-CG 4.5Å; V938-Y941 PolarHBondContact O-N 3.21Å; Y941-Q943 VanDerWaalsContact C-N 3.29Å; Y941-Q943 PolarHBondContact O-N 3.41Å; Y941-L944 HydrophobicContact CD1-CD1 4.42Å; Y941-L944 PolarHBondContact O-N 2.9Å; Y941-I945 WeakPolarHBondContact O-CG1 3.41Å; Y941-I945 PolarHBondContact O-N 3.07Å; Y941-I945 VanDerWaalsContact O-N 3.13Å
942N97.7Very high95Very high70 Ų7043.1 Ų43.137%0.37423%0.233SC..Hα-helixtrans-62.8-37.6175.5-73.4-25.1000112.1V938 K940 I945 R946V938-N942 WeakPolarHBondContact O-CB 3.49Å; V938-N942 PolarHBondContact O-N 2.79Å; V938-N942 PolarHBondContact O-ND2 2.88Å; K940-N942 VanDerWaalsContact C-N 3.32Å; K940-N942 PolarHBondContact O-N 3.31Å; N942-I945 PolarHBondContact O-N 3.43Å; N942-R946 WeakPolarHBondContact O-CG 3.3Å; N942-R946 PolarHBondContact O-N 2.74Å; N942-R946 VanDerWaalsContact O-N 3.16Å
943Q98Very high94.8Very high37 Ų3750.4 Ų50.417%0.17327%0.266CS..Hα-helixtrans-65-41.6175.5-177.261.42.500111.8A913 A916 D917 A939 K940 Y941 I945 R946 I947A913-Q943 HydrophobicContact CB-CB 3.73Å; A913-Q943 HydrophobicContact CB-CG 3.94Å; A916-Q943 HydrophobicContact CB-CB 3.92Å; A916-Q943 HydrophobicContact CB-CG 3.81Å; D917-Q943 PolarHBondContact OD1-NE2 2.97Å; D917-Q943 WeakPolarHBondContact OD2-CG 3.04Å; D917-Q943 PolarHBondContact OD2-NE2 3.48Å; A939-Q943 PolarHBondContact O-N 3.45Å; K940-Q943 WeakPolarHBondContact O-CB 3.44Å; K940-Q943 PolarHBondContact O-N 3.02Å; K940-Q943 VanDerWaalsContact O-N 3.16Å; Y941-Q943 VanDerWaalsContact C-N 3.29Å; Y941-Q943 PolarHBondContact O-N 3.41Å; Q943-I945 VanDerWaalsContact C-N 3.3Å; Q943-I945 PolarHBondContact O-N 3.32Å; Q943-R946 PolarHBondContact O-N 3.42Å; Q943-R946 VanDerWaalsContact O-N 3.15Å; Q943-I947 HydrophobicContact CG-CD1 3.94Å; Q943-I947 HydrophobicContact CG-CG1 4.44Å; Q943-I947 VanDerWaalsContact O-CG1 3.31Å; Q943-I947 WeakPolarHBondContact O-CG1 3.43Å; Q943-I947 PolarHBondContact O-N 2.63Å
944L98.2Very high94.9Very high0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-59.5-39.2174.5-67.2173.3000112.5M681 P682 V714 A916 V920 I927 K940 Y941 I947 E948M681-L944 HydrophobicContact CE-CB 4.03Å; M681-L944 HydrophobicContact CE-CD2 3.99Å; M681-L944 VanDerWaalsContact CE-O 3.25Å; M681-L944 WeakPolarHBondContact CE-O 3.44Å; P682-L944 HydrophobicContact CG-CD1 4.1Å; P682-L944 HydrophobicContact CG-CD2 3.74Å; V714-L944 HydrophobicContact CG1-CB 4.2Å; V714-L944 HydrophobicContact CG2-CB 4.46Å; V714-L944 HydrophobicContact CG2-CD1 4.37Å; A916-L944 HydrophobicContact CB-CD2 3.8Å; A916-L944 HydrophobicContact CB-CG 3.91Å; V920-L944 HydrophobicContact CG2-CD2 3.83Å; I927-L944 HydrophobicContact CD1-CD1 4.32Å; I927-L944 HydrophobicContact CG2-CD1 4.05Å; K940-L944 WeakPolarHBondContact O-CG 3.3Å; K940-L944 PolarHBondContact O-N 3.41Å; Y941-L944 HydrophobicContact CD1-CD1 4.42Å; Y941-L944 PolarHBondContact O-N 2.9Å; L944-I947 PolarHBondContact O-N 2.78Å; L944-E948 WeakPolarHBondContact O-CB 3.24Å; L944-E948 PolarHBondContact O-N 3.16Å
945I98Very high95Very high34 Ų3451.8 Ų51.817%0.17427%0.273CS..Hα-helixtrans-62.5-44175.8-65.6168000110.8K715 I718 Y941 N942 Q943 I947 E948 E949K715-I945 HydrophobicContact CB-CG1 4.48Å; K715-I945 HydrophobicContact CD-CG2 4.25Å; K715-I945 HydrophobicContact CG-CG2 4.46Å; I718-I945 HydrophobicContact CD1-CD1 4.04Å; I718-I945 HydrophobicContact CD1-CG1 3.75Å; I718-I945 HydrophobicContact CG2-CD1 4.46Å; Y941-I945 WeakPolarHBondContact O-CG1 3.41Å; Y941-I945 PolarHBondContact O-N 3.07Å; Y941-I945 VanDerWaalsContact O-N 3.13Å; N942-I945 PolarHBondContact O-N 3.43Å; Q943-I945 VanDerWaalsContact C-N 3.3Å; Q943-I945 PolarHBondContact O-N 3.32Å; I945-I947 VanDerWaalsContact C-N 3.35Å; I945-I947 PolarHBondContact O-N 2.91Å; I945-E948 PolarHBondContact O-N 3.09Å; I945-E949 WeakPolarHBondContact O-CG 3.2Å; I945-E949 PolarHBondContact O-N 3.08Å
946R98.2Very high95.2Very high143 Ų14351.3 Ų51.354%0.5427%0.268SS..Hα-helixtrans-63.5-41.1177.4-65.8170.6-168140.4-0.4112N942 Q943 E949 A950N942-R946 WeakPolarHBondContact O-CG 3.3Å; N942-R946 PolarHBondContact O-N 2.74Å; N942-R946 VanDerWaalsContact O-N 3.16Å; Q943-R946 PolarHBondContact O-N 3.42Å; Q943-R946 VanDerWaalsContact O-N 3.15Å; R946-E949 PolarHBondContact O-N 2.99Å; R946-A950 PolarHBondContact O-N 3.33Å
947I98.2Very high95.4Very high4 Ų451.8 Ų51.82%0.02127%0.27CS..Hα-helixtrans-65.9-43.1178-64.5169000110.7Y666 M681 V920 Q943 L944 I945 E949 A950 L951Y666-I947 HydrophobicContact CD1-CB 4.43Å; Y666-I947 HydrophobicContact CD1-CD1 4.03Å; Y666-I947 HydrophobicContact CD1-CG1 3.76Å; Y666-I947 HydrophobicContact CD1-CG2 3.89Å; Y666-I947 HydrophobicContact CE1-CB 4.48Å; Y666-I947 HydrophobicContact CE1-CG1 4.08Å; Y666-I947 HydrophobicContact CE1-CG2 3.97Å; Y666-I947 HydrophobicContact CG-CG2 4.25Å; M681-I947 HydrophobicContact SD-CG2 4.26Å; V920-I947 HydrophobicContact CB-CG2 4.23Å; V920-I947 HydrophobicContact CG1-CG2 3.79Å; V920-I947 HydrophobicContact CG2-CD1 4.26Å; V920-I947 HydrophobicContact CG2-CG2 4.03Å; Q943-I947 HydrophobicContact CG-CD1 3.94Å; Q943-I947 HydrophobicContact CG-CG1 4.44Å; Q943-I947 VanDerWaalsContact O-CG1 3.31Å; Q943-I947 WeakPolarHBondContact O-CG1 3.43Å; Q943-I947 PolarHBondContact O-N 2.63Å; L944-I947 PolarHBondContact O-N 2.78Å; I945-I947 VanDerWaalsContact C-N 3.35Å; I945-I947 PolarHBondContact O-N 2.91Å; I947-E949 VanDerWaalsContact C-N 3.34Å; I947-E949 PolarHBondContact O-N 2.88Å; I947-A950 PolarHBondContact O-N 3.2Å; I947-L951 HydrophobicContact CG2-CD1 3.67Å; I947-L951 HydrophobicContact CG2-CG 4.33Å; I947-L951 WeakPolarHBondContact O-CB 3.45Å; I947-L951 PolarHBondContact O-N 3.44Å
948E97.4Very high95.5Very high24 Ų2455 Ų5511%0.11229%0.287CS..Hα-helixtrans-59.6-43.6174.4-179.4170.2-95.300111.7M681 T713 V714 K715 L944 I945 A950 L951 S952M681-E948 HydrophobicContact CE-CB 4.08Å; M681-E948 HydrophobicContact SD-CB 4.37Å; T713-E948 VanDerWaalsContact CB-OE1 3.26Å; T713-E948 WeakPolarHBondContact CB-OE1 3.46Å; V714-E948 HydrophobicContact CG1-CB 4.06Å; V714-E948 HydrophobicContact CG1-CG 4.5Å; V714-E948 WeakPolarHBondContact CG1-OE1 3.41Å; V714-E948 PolarHBondContact N-OE1 3.41Å; K715-E948 WeakPolarHBondContact CB-OE2 3.39Å; K715-E948 PolarHBondContact N-OE2 2.97Å; K715-E948 VanDerWaalsContact N-OE2 3.15Å; L944-E948 WeakPolarHBondContact O-CB 3.24Å; L944-E948 PolarHBondContact O-N 3.16Å; I945-E948 PolarHBondContact O-N 3.09Å; E948-A950 VanDerWaalsContact C-N 3.3Å; E948-A950 PolarHBondContact O-N 3.49Å; E948-L951 PolarHBondContact O-N 3.01Å; E948-S952 WeakPolarHBondContact O-CA 3.3Å; E948-S952 PolarHBondContact O-N 3.21Å
949E96.5Very high95.6Very high111 Ų11153.2 Ų53.252%0.51928%0.276SS..Hα-helixtrans-62.6-37.6176.8-73.2173.8177.700111.8K715 I945 R946 I947K715-E949 IonicContact NZ-OE1 2.77Å; K715-E949 PolarHBondContact NZ-OE1 3.4Å; I945-E949 WeakPolarHBondContact O-CG 3.2Å; I945-E949 PolarHBondContact O-N 3.08Å; R946-E949 PolarHBondContact O-N 2.99Å; I947-E949 VanDerWaalsContact C-N 3.34Å; I947-E949 PolarHBondContact O-N 2.88Å
950A94.2Very high95.6Very high69 Ų6955.9 Ų55.957%0.5728%0.282SS*.Hα-helixtrans-71.7-39.5177.100000113.4R946 I947 E948R946-A950 PolarHBondContact O-N 3.33Å; I947-A950 PolarHBondContact O-N 3.2Å; E948-A950 VanDerWaalsContact C-N 3.3Å; E948-A950 PolarHBondContact O-N 3.49Å
951L93.9Very high95.6Very high12 Ų1262.8 Ų62.86%0.06331%0.312CS..Hα-helixtrans-89.6-25.2-175.4-72.3175.3000113.7Y666 Y679 V920 I947 E948 E953 K954 A955Y666-L951 HydrophobicContact CD2-CD1 4.16Å; Y666-L951 HydrophobicContact CE2-CD1 3.81Å; Y666-L951 HydrophobicContact CE2-CD2 3.78Å; Y666-L951 HydrophobicContact CE2-CG 3.99Å; Y679-L951 HydrophobicContact CD2-CD1 4.08Å; Y679-L951 HydrophobicContact CD2-CD2 3.94Å; Y679-L951 HydrophobicContact CE2-CD2 3.98Å; Y679-L951 HydrophobicContact CG-CD1 3.99Å; V920-L951 HydrophobicContact CG1-CD1 3.89Å; I947-L951 HydrophobicContact CG2-CD1 3.67Å; I947-L951 HydrophobicContact CG2-CG 4.33Å; I947-L951 WeakPolarHBondContact O-CB 3.45Å; I947-L951 PolarHBondContact O-N 3.44Å; E948-L951 PolarHBondContact O-N 3.01Å; L951-E953 PolarHBondContact O-N 3.1Å; L951-K954 HydrophobicContact CB-CB 4.35Å; L951-K954 HydrophobicContact CD2-CB 4.32Å; L951-K954 VanDerWaalsContact O-CB 3.3Å; L951-K954 WeakPolarHBondContact O-CB 3.3Å; L951-K954 WeakPolarHBondContact O-CG 3.41Å; L951-K954 PolarHBondContact O-N 3.06Å; L951-A955 HydrophobicContact CB-CB 3.96Å; L951-A955 HydrophobicContact CD1-CB 3.66Å; L951-A955 HydrophobicContact CG-CB 4.43Å
952S89.3Confident95.5Very high82 Ų8264.2 Ų64.257%0.57332%0.318SS*.G310 helixtrans48.6-123.2-173.6-62.50000111E948 K954E948-S952 WeakPolarHBondContact O-CA 3.3Å; E948-S952 PolarHBondContact O-N 3.21Å; S952-K954 PolarHBondContact O-N 3.22Å
953E87.6Confident95.5Very high189 Ų18961 Ų6188%0.88330%0.301SS*.G310 helixtrans-74.9-5.8-177.9-58.4-162.816900114.6L951 A955L951-E953 PolarHBondContact O-N 3.1Å; E953-A955 PolarHBondContact O-N 2.9Å
954K90.9Very high95.3Very high160 Ų16063 Ų6370%0.69631%0.309SS*.G310 helixtrans-71.4-18.6179.8-64.1-178.1179.6178.70113.5L951 S952L951-K954 HydrophobicContact CB-CB 4.35Å; L951-K954 HydrophobicContact CD2-CB 4.32Å; L951-K954 VanDerWaalsContact O-CB 3.3Å; L951-K954 WeakPolarHBondContact O-CB 3.3Å; L951-K954 WeakPolarHBondContact O-CG 3.41Å; L951-K954 PolarHBondContact O-N 3.06Å; S952-K954 PolarHBondContact O-N 3.22Å
955A93.2Very high95Very high4 Ų465.1 Ų65.13%0.03333%0.331CS..SBendtrans-124.290.8176.300000109.2M681 L951 E953M681-A955 HydrophobicContact CG-CB 3.92Å; M681-A955 WeakPolarHBondContact CG-O 3.49Å; M681-A955 HydrophobicContact SD-CB 3.91Å; L951-A955 HydrophobicContact CB-CB 3.96Å; L951-A955 HydrophobicContact CD1-CB 3.66Å; L951-A955 HydrophobicContact CG-CB 4.43Å; E953-A955 PolarHBondContact O-N 2.9Å
956P95.3Very high94.8Very high61 Ų6165.6 Ų65.640%0.39633%0.333SS..  trans-69.3147-179.828.1-34.2000111.5M681M681-P956 PolarHBondContact N-O 2.98Å
957Y97.1Very high93.9Very high22 Ų2264.7 Ų64.79%0.08636%0.356CS..BIsolated β-bridgetrans-91.7107.3165.6-177.1-92.1000109M681 P682 V683 P708 A711 V714 A717M681-Y957 HydrophobicContact CB-CD2 4.19Å; P682-Y957 WeakPolarHBondContact O-CE2 3.41Å; V683-Y957 HydrophobicContact CG2-CE2 4.21Å; P708-Y957 PolarHBondContact O-OH 3.46Å; A711-Y957 HydrophobicContact CB-CD1 4.43Å; A711-Y957 HydrophobicContact CB-CE1 3.85Å; A711-Y957 VanDerWaalsContact O-CD1 3.26Å; A711-Y957 WeakPolarHBondContact O-CD1 3.48Å; A711-Y957 WeakPolarHBondContact O-CE1 3.23Å; V714-Y957 HydrophobicContact CB-CD2 4.1Å; V714-Y957 HydrophobicContact CB-CE2 4.48Å; V714-Y957 HydrophobicContact CG2-CD2 4.33Å; V714-Y957 HydrophobicContact CG2-CE2 4.3Å; A717-Y957 HydrophobicContact CB-CE2 4.01Å
958N96Very high93.6Very high67 Ų6767.8 Ų67.836%0.35837%0.373SS..  trans-88.6-5.4-172.8-71.1-43.3000114R960 K961 E962N958-R960 PolarHBondContact O-N 3.05Å; N958-K961 HydrophobicContact CB-CB 4.39Å; N958-K961 PolarHBondContact O-N 3.47Å; N958-E962 HydrophobicContact CB-CG 3.69Å; N958-E962 VanDerWaalsContact CB-OE1 3.29Å; N958-E962 WeakPolarHBondContact CB-OE1 3.44Å; N958-E962 PolarHBondContact ND2-OE1 3.21Å
959G96.4Very high93.4Very high3 Ų370.1 Ų70.13%0.03139%0.386CS..G310 helixtrans53-129.1176.400000112.3V683 V709 K961 E962V683-G959 VanDerWaalsContact CG2-O 3.24Å; V683-G959 WeakPolarHBondContact CG2-O 3.34Å; V709-G959 WeakPolarHBondContact O-CA 3.37Å; G959-K961 PolarHBondContact O-N 3.19Å; G959-E962 PolarHBondContact O-N 2.76Å; G959-E962 VanDerWaalsContact O-N 3.1Å
960R96.8Very high93.3Very high80 Ų8067.8 Ų67.830%0.30238%0.379SS..G310 helixtrans-50.8-31.2-176.4-176.1167.8-72.3-179.3-1.7114.8V709 G773 N958 E962 I963 Q966V709-R960 HydrophobicContact CB-CB 3.97Å; V709-R960 HydrophobicContact CG1-CB 4.38Å; V709-R960 HydrophobicContact CG2-CB 4.47Å; V709-R960 PolarHBondContact O-N 3.31Å; G773-R960 VanDerWaalsContact C-NH2 3.34Å; G773-R960 PolarHBondContact O-NH2 2.87Å; N958-R960 PolarHBondContact O-N 3.05Å; R960-E962 PolarHBondContact O-N 2.95Å; R960-I963 PolarHBondContact O-N 3.34Å; R960-I963 VanDerWaalsContact O-N 3.09Å; R960-Q966 WeakPolarHBondContact CD-O 3.46Å; R960-Q966 HydrophobicContact CG-CB 3.75Å; R960-Q966 VanDerWaalsContact CG-O 3.31Å; R960-Q966 WeakPolarHBondContact CG-O 3.48Å
961K96.3Very high93.2Very high145 Ų14567.7 Ų67.763%0.6337%0.368SS*.G310 helixtrans-66.4-18.9-176.3-67179.7178.7177.40113.9N958 G959 I963 A967N958-K961 HydrophobicContact CB-CB 4.39Å; N958-K961 PolarHBondContact O-N 3.47Å; G959-K961 PolarHBondContact O-N 3.19Å; K961-I963 PolarHBondContact O-N 2.96Å; K961-A967 HydrophobicContact CG-CB 4.41Å
962E96.2Very high93.2Very high32 Ų3271.2 Ų71.215%0.1539%0.387CS..G310 helixtrans-77.4-11.8176.7-62.2-67.417900112.6V683 G925 Q926 N958 G959 R960V683-E962 HydrophobicContact CG2-CB 4.05Å; V683-E962 HydrophobicContact CG2-CG 4.18Å; G925-E962 VanDerWaalsContact CA-CD 3.42Å; G925-E962 VanDerWaalsContact CA-OE2 3.23Å; G925-E962 WeakPolarHBondContact CA-OE2 3.38Å; G925-E962 WeakPolarHBondContact O-CB 3.34Å; G925-E962 WeakPolarHBondContact O-CG 3.23Å; Q926-E962 HydrophobicContact CG-CB 4.13Å; Q926-E962 PolarHBondContact NE2-O 2.82Å; N958-E962 HydrophobicContact CB-CG 3.69Å; N958-E962 VanDerWaalsContact CB-OE1 3.29Å; N958-E962 WeakPolarHBondContact CB-OE1 3.44Å; N958-E962 PolarHBondContact ND2-OE1 3.21Å; G959-E962 PolarHBondContact O-N 2.76Å; G959-E962 VanDerWaalsContact O-N 3.1Å; R960-E962 PolarHBondContact O-N 2.95Å
963I97.1Very high93.4Very high3 Ų370.5 Ų70.52%0.01537%0.374CS..SBendtrans-94.7126.6-177.3-53.1176.2000109.5V709 V822 Q848 R960 K961 G965 Q966V709-I963 HydrophobicContact CG1-CD1 3.66Å; V822-I963 HydrophobicContact CB-CG2 4.24Å; V822-I963 HydrophobicContact CG2-CD1 3.74Å; V822-I963 HydrophobicContact CG2-CG2 4.02Å; Q848-I963 HydrophobicContact CB-CG2 3.92Å; R960-I963 PolarHBondContact O-N 3.34Å; R960-I963 VanDerWaalsContact O-N 3.09Å; K961-I963 PolarHBondContact O-N 2.96Å; I963-G965 PolarHBondContact O-N 3.36Å; I963-Q966 HydrophobicContact CB-CB 4.05Å; I963-Q966 HydrophobicContact CB-CG 4.02Å; I963-Q966 HydrophobicContact CG2-CB 4.27Å; I963-Q966 HydrophobicContact CG2-CG 3.68Å; I963-Q966 WeakPolarHBondContact O-CB 3.42Å; I963-Q966 PolarHBondContact O-N 3.34Å
964K95.6Very high93.8Very high77 Ų7762 Ų6234%0.33534%0.338SS..THydrogen-bonded Turntrans-59.9130.7-177.1-169.170.3177.5-176.30111Q848 N872 G898 T900 Q966Q848-K964 HydrophobicContact CB-CB 3.97Å; Q848-K964 HydrophobicContact CG-CB 3.97Å; N872-K964 HydrophobicContact CB-CG 4.07Å; G898-K964 PolarHBondContact O-NZ 3.07Å; T900-K964 HydrophobicContact CG2-CB 3.99Å; T900-K964 HydrophobicContact CG2-CD 4.21Å; K964-Q966 VanDerWaalsContact C-N 3.32Å; K964-Q966 PolarHBondContact O-N 3.14Å
965G91.9Very high94.1Very high45 Ų4554.5 Ų54.546%0.46431%0.31SS..THydrogen-bonded Turntrans78.37.5178.500000115.4I963I963-G965 PolarHBondContact O-N 3.36Å
966Q93.2Very high94.1Very high45 Ų4558.7 Ų58.721%0.2133%0.334CS..  trans-116.2-4.5-173.9-65.3-67.6-47.600115.3V822 K846 R960 I963 K964V822-Q966 HydrophobicContact CB-CG 3.86Å; V822-Q966 VanDerWaalsContact CG1-CD 3.46Å; V822-Q966 HydrophobicContact CG1-CG 4.12Å; V822-Q966 VanDerWaalsContact CG1-OE1 3.27Å; K846-Q966 PolarHBondContact O-NE2 3.12Å; R960-Q966 WeakPolarHBondContact CD-O 3.46Å; R960-Q966 HydrophobicContact CG-CB 3.75Å; R960-Q966 VanDerWaalsContact CG-O 3.31Å; R960-Q966 WeakPolarHBondContact CG-O 3.48Å; I963-Q966 HydrophobicContact CB-CB 4.05Å; I963-Q966 HydrophobicContact CB-CG 4.02Å; I963-Q966 HydrophobicContact CG2-CB 4.27Å; I963-Q966 HydrophobicContact CG2-CG 3.68Å; I963-Q966 WeakPolarHBondContact O-CB 3.42Å; I963-Q966 PolarHBondContact O-N 3.34Å; K964-Q966 VanDerWaalsContact C-N 3.32Å; K964-Q966 PolarHBondContact O-N 3.14Å
967A77.9Confident94Very high124 Ų12458.5 Ų58.5100%1.02533%0.328SS*.  trans-67.50-173.400000114.7K961K961-A967 HydrophobicContact CG-CB 4.41Å

Retrieved 967 of 967 residues in 8060.4 ms (Link to these results)

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