A0A077HCY9_DROME Loading...

Alcohol dehydrogenase

AlphaFold DB , UniProt , Accession A0A077HCY9, Species DROME (Drosophila melanogaster, Fruit fly), Gene Adh, Length 238 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
1M48.2Very low90Very high247 Ų24762.9 Ų62.9100%1.21735%0.346SS*.  0132.70-70.9175.2-167.800107.3
2S68.4Low90.7Very high111 Ų11157.7 Ų57.778%0.77632%0.317SS*.  trans-64.2140.8173.549.10000109.7
3F89.3Confident91.4Very high38 Ų3853.5 Ų53.517%0.16730%0.295CS..  trans-62.3140.2172.8174.2-100.6000109.5L5 K8 V89 I134 I227 N230F3-L5 HydrophobicContact CE1-CD2 3.84Å; F3-L5 HydrophobicContact CE1-CG 4.07Å; F3-L5 HydrophobicContact CZ-CD2 4.3Å; F3-K8 HydrophobicContact CE2-CD 4.41Å; F3-K8 HydrophobicContact CZ-CD 4.47Å; F3-K8 HydrophobicContact CZ-CG 4.32Å; F3-V89 HydrophobicContact CZ-CG2 3.84Å; F3-I134 HydrophobicContact CD2-CD1 3.9Å; F3-I134 HydrophobicContact CE2-CD1 3.38Å; F3-I134 HydrophobicContact CZ-CD1 3.74Å; F3-I227 WeakPolarHBondContact CD1-O 3.43Å; F3-I227 HydrophobicContact CE1-CG2 4.03Å; F3-N230 HydrophobicContact CB-CB 3.44Å; F3-N230 VanDerWaalsContact CB-CB 3.44Å; F3-N230 HydrophobicContact CD1-CB 4.01Å; F3-N230 HydrophobicContact CG-CB 3.76Å
4T94.8Very high91.8Very high72 Ų7251 Ų5144%0.44228%0.284SS..  trans-124.7136.2175.9177.50000110.7T6 K8T4-T6 VanDerWaalsContact C-N 3.31Å; T4-T6 PolarHBondContact OG1-N 3.23Å; T4-T6 PolarHBondContact OG1-OG1 3.29Å; T4-K8 VanDerWaalsContact O-CE 3.22Å; T4-K8 WeakPolarHBondContact O-CE 3.32Å; T4-K8 VanDerWaalsContact O-CG 3.31Å; T4-K8 WeakPolarHBondContact O-CG 3.37Å; T4-K8 PolarHBondContact O-NZ 2.95Å
5L97.6Very high92.1Very high2 Ų247.6 Ų47.61%0.0127%0.265CS..  trans-77-16.1176.2-80.1171.7000113F3 N7 K8 V10 L27 R30 L32 V224 I227 E228F3-L5 HydrophobicContact CE1-CD2 3.84Å; F3-L5 HydrophobicContact CE1-CG 4.07Å; F3-L5 HydrophobicContact CZ-CD2 4.3Å; L5-N7 PolarHBondContact O-N 3.21Å; L5-K8 VanDerWaalsContact O-CB 3.29Å; L5-K8 WeakPolarHBondContact O-CB 3.39Å; L5-K8 WeakPolarHBondContact O-CG 3.44Å; L5-K8 PolarHBondContact O-N 3.42Å; L5-V10 HydrophobicContact CD2-CG2 4.38Å; L5-L27 HydrophobicContact CD1-CD2 3.77Å; L5-L27 HydrophobicContact CD2-CD2 4.44Å; L5-R30 HydrophobicContact CB-CB 3.69Å; L5-R30 HydrophobicContact CB-CG 4.18Å; L5-R30 HydrophobicContact CD1-CB 4.2Å; L5-R30 HydrophobicContact CD1-CG 4.04Å; L5-L32 HydrophobicContact CB-CD2 3.75Å; L5-L32 HydrophobicContact CD2-CD2 4.01Å; L5-L32 HydrophobicContact CG-CD2 4.38Å; L5-L32 WeakPolarHBondContact O-CD2 3.34Å; L5-V224 HydrophobicContact CD1-CG1 3.76Å; L5-I227 HydrophobicContact CD1-CG2 4.14Å; L5-I227 HydrophobicContact CD2-CG2 3.89Å; L5-I227 HydrophobicContact CG-CG2 4.26Å; L5-E228 HydrophobicContact CD1-CG 3.97Å; L5-E228 HydrophobicContact CG-CG 4.46Å
6T98.2Very high92.4Very high61 Ų6145.4 Ų45.437%0.37425%0.253SS..THydrogen-bonded Turntrans-56.2132.3177-51.90000111T4 K8 R30 D31T4-T6 VanDerWaalsContact C-N 3.31Å; T4-T6 PolarHBondContact OG1-N 3.23Å; T4-T6 PolarHBondContact OG1-OG1 3.29Å; T6-K8 PolarHBondContact O-N 2.6Å; T6-K8 PolarHBondContact O-NZ 3.03Å; T6-R30 WeakPolarHBondContact CA-O 3.25Å; T6-R30 PolarHBondContact N-O 3.27Å; T6-D31 WeakPolarHBondContact CA-O 3.49Å; T6-D31 HydrophobicContact CG2-CB 4.19Å
7N98.1Very high92.4Very high117 Ų11745.1 Ų45.163%0.62626%0.262SS*.THydrogen-bonded Turntrans58.720.4-177.7-67.6-37.4000115.5L5 D31L5-N7 PolarHBondContact O-N 3.21Å; N7-D31 PolarHBondContact N-O 2.93Å
8K98.6Very high92.3Very high41 Ų4144.2 Ų44.218%0.17827%0.265CS..  trans-86.8151.9175.8-61.4-66.3173.9-62.10112.7F3 T4 L5 T6 V10 K33 N34 D88F3-K8 HydrophobicContact CE2-CD 4.41Å; F3-K8 HydrophobicContact CZ-CD 4.47Å; F3-K8 HydrophobicContact CZ-CG 4.32Å; T4-K8 VanDerWaalsContact O-CE 3.22Å; T4-K8 WeakPolarHBondContact O-CE 3.32Å; T4-K8 VanDerWaalsContact O-CG 3.31Å; T4-K8 WeakPolarHBondContact O-CG 3.37Å; T4-K8 PolarHBondContact O-NZ 2.95Å; L5-K8 VanDerWaalsContact O-CB 3.29Å; L5-K8 WeakPolarHBondContact O-CB 3.39Å; L5-K8 WeakPolarHBondContact O-CG 3.44Å; L5-K8 PolarHBondContact O-N 3.42Å; T6-K8 PolarHBondContact O-N 2.6Å; T6-K8 PolarHBondContact O-NZ 3.03Å; K8-V10 HydrophobicContact CB-CG2 4.5Å; K8-K33 PolarHBondContact O-N 3.19Å; K8-N34 PolarHBondContact O-N 3.03Å; K8-D88 WeakPolarHBondContact CA-OD2 3.28Å; K8-D88 HydrophobicContact CB-CB 4.17Å; K8-D88 HydrophobicContact CD-CB 3.7Å; K8-D88 WeakPolarHBondContact CD-OD1 3.48Å; K8-D88 HydrophobicContact CG-CB 4.4Å
9N98.9Very high92.5Very high2 Ų243.4 Ų43.41%0.01126%0.258CS..EExtended strand (participates in β ladder)trans-100.6114.3170.5-67.2-21.5000109K33 N34 L84 T86 D88 V89N9-K33 WeakPolarHBondContact OD1-CB 3.46Å; N9-N34 HydrophobicContact CB-CB 4.5Å; N9-N34 WeakPolarHBondContact OD1-CB 3.5Å; N9-N34 PolarHBondContact OD1-ND2 2.9Å; N9-L84 HydrophobicContact CB-CD1 4.25Å; N9-T86 WeakPolarHBondContact CB-O 3.4Å; N9-T86 PolarHBondContact ND2-O 3Å; N9-T86 PolarHBondContact ND2-OG1 2.86Å; N9-D88 PolarHBondContact N-OD2 3.39Å; N9-D88 PolarHBondContact O-N 3.15Å; N9-V89 PolarHBondContact O-N 2.87Å
10V98.9Very high92.7Very high1 Ų141.5 Ų41.51%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-114.5129.7-176.5-178.40000109.6L5 K8 L32 N34 L35 V36 V89 I91L5-V10 HydrophobicContact CD2-CG2 4.38Å; K8-V10 HydrophobicContact CB-CG2 4.5Å; V10-L32 HydrophobicContact CB-CD1 4.41Å; V10-L32 HydrophobicContact CG2-CD1 4.05Å; V10-L32 HydrophobicContact CG2-CD2 4.19Å; V10-N34 PolarHBondContact N-O 3.35Å; V10-L35 HydrophobicContact CB-CD1 4.16Å; V10-L35 HydrophobicContact CG1-CD1 4.13Å; V10-V36 PolarHBondContact O-N 3.2Å; V10-V89 WeakPolarHBondContact CA-O 3.31Å; V10-V89 HydrophobicContact CG1-CB 4.29Å; V10-V89 HydrophobicContact CG2-CB 4.23Å; V10-I91 HydrophobicContact CG1-CD1 3.9Å; V10-I91 HydrophobicContact CG1-CG1 4.22Å
11I98.9Very high92.9Very high0 Ų041.1 Ų41.10%025%0.245CC..EExtended strand (participates in β ladder)trans-97.7128163.9-65.2177.3000108.1V36 L38 L77 I80 V87 V89 L90 I91I11-V36 CarbonylContact C-O 3.53Å; I11-V36 WeakPolarHBondContact CA-O 3.5Å; I11-V36 HydrophobicContact CG1-CB 4.09Å; I11-V36 HydrophobicContact CG1-CG2 4.5Å; I11-L38 HydrophobicContact CG2-CD1 3.55Å; I11-L38 HydrophobicContact CG2-CG 3.83Å; I11-L77 HydrophobicContact CD1-CD2 3.82Å; I11-I80 HydrophobicContact CD1-CD1 4.39Å; I11-I80 HydrophobicContact CD1-CG2 4.02Å; I11-I80 HydrophobicContact CG1-CG2 4.46Å; I11-V87 HydrophobicContact CB-CG1 4.48Å; I11-V87 HydrophobicContact CD1-CG1 3.85Å; I11-V87 HydrophobicContact CD1-CG2 4.01Å; I11-V87 HydrophobicContact CG1-CG1 3.8Å; I11-V87 HydrophobicContact CG1-CG2 4.42Å; I11-V89 PolarHBondContact N-O 2.9Å; I11-L90 HydrophobicContact CB-CD1 4Å; I11-L90 HydrophobicContact CG2-CD1 3.67Å; I11-L90 WeakPolarHBondContact O-CA 3.44Å; I11-I91 PolarHBondContact O-N 3.16Å
12F98.9Very high95.3Very high0 Ų030.7 Ų30.70%019%0.194CC..EExtended strand (participates in β ladder)trans-122.7107.1174.5-162.4-8.1000110.7G20 T23 S24 L27 L35 V36 L38 I91 I138F12-G20 WeakPolarHBondContact CE2-O 3.42Å; F12-T23 HydrophobicContact CE2-CG2 3.86Å; F12-T23 HydrophobicContact CZ-CG2 4.26Å; F12-S24 WeakPolarHBondContact CD2-OG 3.46Å; F12-L27 HydrophobicContact CD2-CD1 4.12Å; F12-L27 HydrophobicContact CE2-CD1 4.41Å; F12-L35 HydrophobicContact CB-CD1 4.26Å; F12-V36 PolarHBondContact N-O 2.82Å; F12-L38 PolarHBondContact O-N 3.31Å; F12-I91 HydrophobicContact CB-CB 4.42Å; F12-I91 HydrophobicContact CD1-CB 3.59Å; F12-I91 HydrophobicContact CD1-CD1 4.47Å; F12-I91 HydrophobicContact CD1-CG2 3.57Å; F12-I91 HydrophobicContact CD2-CD1 4.14Å; F12-I91 HydrophobicContact CE1-CB 3.97Å; F12-I91 HydrophobicContact CE1-CG2 3.37Å; F12-I91 HydrophobicContact CE2-CD1 4.41Å; F12-I91 HydrophobicContact CG-CB 4.01Å; F12-I91 HydrophobicContact CG-CD1 4.15Å; F12-I91 HydrophobicContact CG-CG2 4.3Å; F12-I91 HydrophobicContact CZ-CG2 3.93Å; F12-I138 HydrophobicContact CE1-CD1 3.91Å; F12-I138 HydrophobicContact CZ-CD1 4.07Å
13V98.9Very high96.8Very high4 Ų425.4 Ų25.42%0.02416%0.157CC..EExtended strand (participates in β ladder)trans-76.6126.4171.3-176.40000109.9L38 Y64 V66 L90 I91 G93 A94 T116V13-L38 CarbonylContact C-O 3.55Å; V13-L38 VanDerWaalsContact CA-O 3.29Å; V13-L38 WeakPolarHBondContact CA-O 3.38Å; V13-L38 HydrophobicContact CG2-CB 4.29Å; V13-L38 HydrophobicContact CG2-CD1 4.2Å; V13-Y64 HydrophobicContact CG1-CD1 4.04Å; V13-Y64 HydrophobicContact CG1-CE1 4.02Å; V13-Y64 HydrophobicContact CG2-CD1 4.44Å; V13-Y64 HydrophobicContact CG2-CE1 4.21Å; V13-V66 HydrophobicContact CG1-CG1 3.65Å; V13-L90 HydrophobicContact CG2-CD1 4.09Å; V13-I91 PolarHBondContact N-O 2.92Å; V13-G93 CarbonylContact O-C 3.33Å; V13-G93 WeakPolarHBondContact O-CA 3.49Å; V13-G93 PolarHBondContact O-N 2.95Å; V13-A94 HydrophobicContact CG1-CB 4.02Å; V13-T116 HydrophobicContact CG2-CG2 4.21Å
14A97.9Very high97.2Very high18 Ų1823.6 Ų23.615%0.14915%0.149CC..THydrogen-bonded Turntrans61.938.9-172.900000114.4L16 L38 D39 A94A14-L16 PolarHBondContact O-N 3.22Å; A14-L38 PolarHBondContact N-O 3.23Å; A14-D39 WeakPolarHBondContact CA-OD2 3.43Å; A14-A94 HydrophobicContact CB-CB 4.2Å
15G96.5Very high97.4Very high0 Ų022.2 Ų22.20%014%0.137CC..THydrogen-bonded Turntrans-72.8-3.9-179.600000115.7G20 L21 S24G15-G20 CarbonylContact O-C 3.5Å; G15-L21 WeakPolarHBondContact O-CA 3.44Å; G15-L21 PolarHBondContact O-N 3.48Å; G15-S24 PolarHBondContact O-OG 3.25Å
16L96.8Very high97.4Very high12 Ų1222.5 Ų22.56%0.06314%0.138CC..THydrogen-bonded Turntrans-105.6-5.8-178.5-55.1177.2000113.9A14 I37 D39 N43 A46 I47 L50 F61A14-L16 PolarHBondContact O-N 3.22Å; L16-I37 HydrophobicContact CD1-CG2 4.23Å; L16-I37 HydrophobicContact CD2-CD1 3.69Å; L16-I37 HydrophobicContact CD2-CG2 4.07Å; L16-I37 HydrophobicContact CG-CG2 3.75Å; L16-D39 WeakPolarHBondContact CB-OD2 3.34Å; L16-D39 HydrophobicContact CD1-CB 4.35Å; L16-D39 PolarHBondContact N-OD2 3.17Å; L16-N43 HydrophobicContact CD1-CB 4Å; L16-A46 HydrophobicContact CD2-CB 4.19Å; L16-I47 HydrophobicContact CD1-CD1 4.13Å; L16-I47 HydrophobicContact CD1-CG1 4.03Å; L16-I47 HydrophobicContact CD2-CG1 4.14Å; L16-L50 HydrophobicContact CD2-CD1 3.83Å; L16-F61 HydrophobicContact CD1-CD2 4.04Å; L16-F61 HydrophobicContact CD1-CE2 3.98Å
17G91.1Very high97.5Very high40 Ų4019.6 Ų19.641%0.41212%0.121SC..SBendtrans-104.4146.8-17800000113.3I19 G20 L21G17-I19 PolarHBondContact O-N 3.24Å; G17-G20 VanDerWaalsContact O-CA 3.27Å; G17-G20 WeakPolarHBondContact O-CA 3.47Å; G17-G20 PolarHBondContact O-N 3.07Å; G17-L21 PolarHBondContact O-N 2.94Å
18G91.1Very high97.5Very high30 Ų3014.1 Ų14.131%0.3099%0.091SC..Hα-helixtrans42.4-120.616800000114.6G20 L21G18-G20 VanDerWaalsContact C-N 3.25Å; G18-G20 PolarHBondContact O-N 3Å; G18-L21 PolarHBondContact O-N 3Å
19I95.5Very high97.4Very high28 Ų2818 Ų1814%0.14411%0.108CC..Hα-helixtrans-62.2-32.5177.5-62.1171.4000111.7G17 L21 D22 T23 P183 T186 T188 C219 F223G17-I19 PolarHBondContact O-N 3.24Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.09Å; I19-D22 PolarHBondContact O-N 2.71Å; I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.32Å; I19-T23 PolarHBondContact O-N 3Å; I19-T23 PolarHBondContact O-OG1 3.33Å; I19-P183 HydrophobicContact CD1-CB 3.74Å; I19-P183 HydrophobicContact CD1-CG 3.76Å; I19-T186 HydrophobicContact CD1-CG2 4.12Å; I19-T186 HydrophobicContact CG1-CG2 3.94Å; I19-T188 HydrophobicContact CG1-CG2 4.01Å; I19-C219 HydrophobicContact CG2-CB 4.49Å; I19-F223 HydrophobicContact CG2-CD2 4.41Å
20G97.3Very high97.3Very high5 Ų520.4 Ų20.45%0.05212%0.117CC..Hα-helixtrans-62.4-37.7-178.800000113.1F12 G15 G17 G18 T23 S24F12-G20 WeakPolarHBondContact CE2-O 3.42Å; G15-G20 CarbonylContact O-C 3.5Å; G17-G20 VanDerWaalsContact O-CA 3.27Å; G17-G20 WeakPolarHBondContact O-CA 3.47Å; G17-G20 PolarHBondContact O-N 3.07Å; G18-G20 VanDerWaalsContact C-N 3.25Å; G18-G20 PolarHBondContact O-N 3Å; G20-T23 PolarHBondContact O-N 3.21Å; G20-S24 WeakPolarHBondContact O-CB 3.36Å; G20-S24 PolarHBondContact O-N 3.48Å; G20-S24 PolarHBondContact O-OG 3.32Å
21L97.9Very high97.2Very high34 Ų3423.9 Ų23.918%0.17814%0.136CC..Hα-helixtrans-65-53177.7179.156.9000111.3G15 G17 G18 I19 T23 S24 K25 A46 L50G15-L21 WeakPolarHBondContact O-CA 3.44Å; G15-L21 PolarHBondContact O-N 3.48Å; G17-L21 PolarHBondContact O-N 2.94Å; G18-L21 PolarHBondContact O-N 3Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.09Å; L21-T23 VanDerWaalsContact C-N 3.27Å; L21-T23 PolarHBondContact O-N 2.89Å; L21-S24 WeakPolarHBondContact O-CB 3.31Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-S24 VanDerWaalsContact O-N 3.1Å; L21-K25 WeakPolarHBondContact O-CG 3.31Å; L21-K25 PolarHBondContact O-N 2.94Å; L21-A46 HydrophobicContact CD1-CB 4Å; L21-L50 HydrophobicContact CD1-CD1 4.36Å; L21-L50 HydrophobicContact CD1-CD2 4.29Å; L21-L50 HydrophobicContact CD1-CG 4.36Å
22D98.4Very high97.2Very high29 Ų2924.1 Ų24.116%0.15514%0.137CC..Hα-helixtrans-64.7-34.9178.5-73.4-23.5000111.6I19 S24 K25 E26 S216 A220I19-D22 PolarHBondContact O-N 2.71Å; D22-S24 VanDerWaalsContact C-N 3.33Å; D22-S24 PolarHBondContact O-N 3Å; D22-K25 WeakPolarHBondContact O-CB 3.45Å; D22-K25 PolarHBondContact O-N 3.23Å; D22-E26 WeakPolarHBondContact O-CG 3.46Å; D22-E26 PolarHBondContact O-N 3.36Å; D22-S216 WeakPolarHBondContact OD2-CB 3.29Å; D22-S216 PolarHBondContact OD2-OG 3.4Å; D22-A220 VanDerWaalsContact C-CB 3.42Å; D22-A220 HydrophobicContact CB-CB 3.7Å
23T98.7Very high97.2Very high0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-64.7-38.6173.3-56.20000111.3F12 I19 G20 L21 E26 L27 F223 V224F12-T23 HydrophobicContact CE2-CG2 3.86Å; F12-T23 HydrophobicContact CZ-CG2 4.26Å; I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.32Å; I19-T23 PolarHBondContact O-N 3Å; I19-T23 PolarHBondContact O-OG1 3.33Å; G20-T23 PolarHBondContact O-N 3.21Å; L21-T23 VanDerWaalsContact C-N 3.27Å; L21-T23 PolarHBondContact O-N 2.89Å; T23-E26 PolarHBondContact O-N 2.75Å; T23-L27 HydrophobicContact CG2-CD1 4.33Å; T23-L27 HydrophobicContact CG2-CG 4.46Å; T23-L27 WeakPolarHBondContact O-CB 3.33Å; T23-L27 VanDerWaalsContact O-CG 3.27Å; T23-L27 WeakPolarHBondContact O-CG 3.29Å; T23-L27 PolarHBondContact O-N 3.05Å; T23-F223 HydrophobicContact CG2-CB 4.09Å; T23-F223 HydrophobicContact CG2-CD1 3.7Å; T23-F223 HydrophobicContact CG2-CD2 4.27Å; T23-F223 HydrophobicContact CG2-CE1 4.23Å; T23-F223 HydrophobicContact CG2-CG 3.75Å; T23-V224 HydrophobicContact CG2-CG2 4.17Å
24S98.8Very high97.2Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-64.3-41.2173.5-640000111.6F12 G15 G20 L21 D22 E26 L27 L28F12-S24 WeakPolarHBondContact CD2-OG 3.46Å; G15-S24 PolarHBondContact O-OG 3.25Å; G20-S24 WeakPolarHBondContact O-CB 3.36Å; G20-S24 PolarHBondContact O-N 3.48Å; G20-S24 PolarHBondContact O-OG 3.32Å; L21-S24 WeakPolarHBondContact O-CB 3.31Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-S24 VanDerWaalsContact O-N 3.1Å; D22-S24 VanDerWaalsContact C-N 3.33Å; D22-S24 PolarHBondContact O-N 3Å; S24-E26 VanDerWaalsContact C-N 3.34Å; S24-E26 PolarHBondContact O-N 3.25Å; S24-L27 PolarHBondContact O-N 2.64Å; S24-L28 VanDerWaalsContact O-CG 3.27Å; S24-L28 WeakPolarHBondContact O-CG 3.49Å; S24-L28 PolarHBondContact O-N 2.96Å; S24-L28 VanDerWaalsContact O-N 3.13Å
25K98.6Very high97.2Very high43 Ų4329.2 Ų29.219%0.18716%0.156CC..Hα-helixtrans-60.4-44.2173.7-63.8-179.2-175.5-176.30111.4L21 D22 L28 E49 L50 I53L21-K25 WeakPolarHBondContact O-CG 3.31Å; L21-K25 PolarHBondContact O-N 2.94Å; D22-K25 WeakPolarHBondContact O-CB 3.45Å; D22-K25 PolarHBondContact O-N 3.23Å; K25-L28 PolarHBondContact O-N 3.13Å; K25-E49 WeakPolarHBondContact CE-OE1 3.42Å; K25-E49 WeakPolarHBondContact CE-OE2 3.22Å; K25-E49 IonicContact NZ-OE1 3.94Å; K25-E49 PolarHBondContact NZ-OE1 3.49Å; K25-E49 IonicContact NZ-OE2 3Å; K25-E49 PolarHBondContact NZ-OE2 2.83Å; K25-L50 HydrophobicContact CB-CD2 4.48Å; K25-L50 HydrophobicContact CG-CD2 3.75Å; K25-I53 HydrophobicContact CB-CD1 3.72Å; K25-I53 HydrophobicContact CD-CD1 4.26Å; K25-I53 HydrophobicContact CG-CD1 3.55Å
26E98.6Very high97.4Very high8 Ų829.3 Ų29.34%0.03716%0.156CC..Hα-helixtrans-64.1-46.2176-75-53.1130.900112D22 T23 S24 L28 K29 R30 L217 A220 E221 V224D22-E26 WeakPolarHBondContact O-CG 3.46Å; D22-E26 PolarHBondContact O-N 3.36Å; T23-E26 PolarHBondContact O-N 2.75Å; S24-E26 VanDerWaalsContact C-N 3.34Å; S24-E26 PolarHBondContact O-N 3.25Å; E26-L28 PolarHBondContact O-N 2.9Å; E26-K29 VanDerWaalsContact CD-NZ 3.31Å; E26-K29 VanDerWaalsContact O-CB 3.32Å; E26-K29 WeakPolarHBondContact O-CB 3.22Å; E26-K29 PolarHBondContact O-N 3.25Å; E26-K29 WeakPolarHBondContact OE1-CE 3.4Å; E26-K29 IonicContact OE1-NZ 2.6Å; E26-K29 PolarHBondContact OE1-NZ 2.77Å; E26-K29 WeakPolarHBondContact OE2-CD 3.19Å; E26-K29 IonicContact OE2-NZ 3.27Å; E26-K29 PolarHBondContact OE2-NZ 2.9Å; E26-R30 VanDerWaalsContact C-NH1 3.29Å; E26-R30 VanDerWaalsContact O-CD 3.31Å; E26-R30 WeakPolarHBondContact O-CD 3.27Å; E26-R30 PolarHBondContact O-NH1 3.31Å; E26-R30 IonicContact OE2-NH1 3.77Å; E26-R30 PolarHBondContact OE2-NH1 2.86Å; E26-L217 HydrophobicContact CG-CD1 4.46Å; E26-L217 WeakPolarHBondContact OE1-CD1 3.49Å; E26-A220 HydrophobicContact CB-CB 4.48Å; E26-A220 HydrophobicContact CG-CB 3.77Å; E26-E221 HydrophobicContact CG-CG 4.29Å; E26-V224 HydrophobicContact CB-CB 4.45Å; E26-V224 HydrophobicContact CB-CG2 3.58Å
27L98.6Very high97.5Very high0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-55.6-38.1177.7-79.8172.1000112.5L5 F12 T23 S24 K29 R30 L32 L35 I91 V224 I227L5-L27 HydrophobicContact CD1-CD2 3.77Å; L5-L27 HydrophobicContact CD2-CD2 4.44Å; F12-L27 HydrophobicContact CD2-CD1 4.12Å; F12-L27 HydrophobicContact CE2-CD1 4.41Å; T23-L27 HydrophobicContact CG2-CD1 4.33Å; T23-L27 HydrophobicContact CG2-CG 4.46Å; T23-L27 WeakPolarHBondContact O-CB 3.33Å; T23-L27 VanDerWaalsContact O-CG 3.27Å; T23-L27 WeakPolarHBondContact O-CG 3.29Å; T23-L27 PolarHBondContact O-N 3.05Å; S24-L27 PolarHBondContact O-N 2.64Å; L27-K29 PolarHBondContact O-N 3.41Å; L27-R30 WeakPolarHBondContact O-CB 3.38Å; L27-R30 PolarHBondContact O-N 3.42Å; L27-L32 HydrophobicContact CB-CD1 4.15Å; L27-L35 HydrophobicContact CD1-CD1 4.4Å; L27-I91 HydrophobicContact CD1-CD1 3.84Å; L27-V224 HydrophobicContact CD2-CG1 4.22Å; L27-V224 HydrophobicContact CD2-CG2 4Å; L27-V224 HydrophobicContact CG-CG2 3.94Å; L27-I227 HydrophobicContact CD2-CD1 3.92Å
28L98.4Very high97.8Very high1 Ų126.9 Ų26.91%0.00513%0.134CC..G310 helixtrans-69.1-12.8-179.6-69.1170.3000114.2S24 K25 E26 R30 L35 L50 I53 N54 V57 V59S24-L28 VanDerWaalsContact O-CG 3.27Å; S24-L28 WeakPolarHBondContact O-CG 3.49Å; S24-L28 PolarHBondContact O-N 2.96Å; S24-L28 VanDerWaalsContact O-N 3.13Å; K25-L28 PolarHBondContact O-N 3.13Å; E26-L28 PolarHBondContact O-N 2.9Å; L28-R30 PolarHBondContact O-N 2.76Å; L28-L35 HydrophobicContact CD1-CD2 4.24Å; L28-L35 HydrophobicContact CD2-CB 4.32Å; L28-L35 HydrophobicContact CD2-CD2 3.93Å; L28-L35 HydrophobicContact CG-CD2 3.99Å; L28-L50 HydrophobicContact CD1-CB 3.67Å; L28-L50 HydrophobicContact CD1-CD2 3.59Å; L28-L50 HydrophobicContact CD1-CG 4.18Å; L28-L50 VanDerWaalsContact CD1-O 3.25Å; L28-L50 WeakPolarHBondContact CD1-O 3.14Å; L28-I53 HydrophobicContact CB-CB 4.36Å; L28-I53 HydrophobicContact CB-CG2 3.86Å; L28-I53 HydrophobicContact CD1-CB 4.44Å; L28-N54 HydrophobicContact CB-CB 4.46Å; L28-N54 VanDerWaalsContact O-CB 3.28Å; L28-N54 WeakPolarHBondContact O-CB 3.37Å; L28-N54 PolarHBondContact O-ND2 2.91Å; L28-V57 HydrophobicContact CD2-CB 3.72Å; L28-V57 HydrophobicContact CD2-CG1 3.54Å; L28-V57 HydrophobicContact CD2-CG2 3.94Å; L28-V59 HydrophobicContact CD1-CG2 4.38Å; L28-V59 HydrophobicContact CD2-CG2 3.91Å
29K97.5Very high98.2Very high123 Ų12326.9 Ų26.954%0.53513%0.127SC..G310 helixtrans-74.4-6.5169.3-57179-177.1171.30113.3E26 L27E26-K29 VanDerWaalsContact CD-NZ 3.31Å; E26-K29 VanDerWaalsContact O-CB 3.32Å; E26-K29 WeakPolarHBondContact O-CB 3.22Å; E26-K29 PolarHBondContact O-N 3.25Å; E26-K29 WeakPolarHBondContact OE1-CE 3.4Å; E26-K29 IonicContact OE1-NZ 2.6Å; E26-K29 PolarHBondContact OE1-NZ 2.77Å; E26-K29 WeakPolarHBondContact OE2-CD 3.19Å; E26-K29 IonicContact OE2-NZ 3.27Å; E26-K29 PolarHBondContact OE2-NZ 2.9Å; L27-K29 PolarHBondContact O-N 3.41Å
30R96.8Very high98.2Very high52 Ų5232.5 Ų32.520%0.19615%0.147CC..G310 helixtrans-106.924.2-173-75.173.8173.7-179.52.7115.5L5 T6 E26 L27 L28 L32 V224 E228L5-R30 HydrophobicContact CB-CB 3.69Å; L5-R30 HydrophobicContact CB-CG 4.18Å; L5-R30 HydrophobicContact CD1-CB 4.2Å; L5-R30 HydrophobicContact CD1-CG 4.04Å; T6-R30 WeakPolarHBondContact CA-O 3.25Å; T6-R30 PolarHBondContact N-O 3.27Å; E26-R30 VanDerWaalsContact C-NH1 3.29Å; E26-R30 VanDerWaalsContact O-CD 3.31Å; E26-R30 WeakPolarHBondContact O-CD 3.27Å; E26-R30 PolarHBondContact O-NH1 3.31Å; E26-R30 IonicContact OE2-NH1 3.77Å; E26-R30 PolarHBondContact OE2-NH1 2.86Å; L27-R30 WeakPolarHBondContact O-CB 3.38Å; L27-R30 PolarHBondContact O-N 3.42Å; L28-R30 PolarHBondContact O-N 2.76Å; R30-L32 VanDerWaalsContact C-N 3.25Å; R30-L32 PolarHBondContact O-N 3.47Å; R30-L32 VanDerWaalsContact O-N 3.15Å; R30-V224 HydrophobicContact CG-CG1 4.49Å; R30-V224 VanDerWaalsContact NE-CG1 3.28Å; R30-E228 VanDerWaalsContact CG-OE1 3.32Å; R30-E228 WeakPolarHBondContact CG-OE1 3.4Å; R30-E228 IonicContact CZ-OE1 2.94Å; R30-E228 IonicContact NE-OE1 3.86Å; R30-E228 PolarHBondContact NE-OE1 3.42Å; R30-E228 IonicContact NH2-OE1 3.86Å
31D97Very high98.1Very high75 Ų7537.6 Ų37.640%0.40117%0.171SC..  trans44.848.7178.1-71.5-28.7000113.4T6 N7 N54T6-D31 WeakPolarHBondContact CA-O 3.49Å; T6-D31 HydrophobicContact CG2-CB 4.19Å; N7-D31 PolarHBondContact N-O 2.93Å; D31-N54 PolarHBondContact OD1-ND2 3.35Å
32L98.6Very high97.8Very high5 Ų541.5 Ų41.53%0.02619%0.189CC..  trans-58.2156.3172.4-56.2-174.4000110.2L5 V10 L27 R30 L35 V57L5-L32 HydrophobicContact CB-CD2 3.75Å; L5-L32 HydrophobicContact CD2-CD2 4.01Å; L5-L32 HydrophobicContact CG-CD2 4.38Å; L5-L32 WeakPolarHBondContact O-CD2 3.34Å; V10-L32 HydrophobicContact CB-CD1 4.41Å; V10-L32 HydrophobicContact CG2-CD1 4.05Å; V10-L32 HydrophobicContact CG2-CD2 4.19Å; L27-L32 HydrophobicContact CB-CD1 4.15Å; R30-L32 VanDerWaalsContact C-N 3.25Å; R30-L32 PolarHBondContact O-N 3.47Å; R30-L32 VanDerWaalsContact O-N 3.15Å; L32-L35 HydrophobicContact CD1-CB 4.16Å; L32-L35 HydrophobicContact CD1-CD1 4.43Å; L32-V57 HydrophobicContact CB-CG1 3.82Å; L32-V57 HydrophobicContact CB-CG2 4.24Å; L32-V57 WeakPolarHBondContact O-CG2 3.45Å
33K98.5Very high97.7Very high113 Ų11343.2 Ų43.249%0.49120%0.198SC..SBendtrans-80.3-48.8168.1-169.8-175179.5178.30110.5K8 N9 T58K8-K33 PolarHBondContact O-N 3.19Å; N9-K33 WeakPolarHBondContact OD1-CB 3.46Å; K33-T58 PolarHBondContact O-N 2.99Å
34N98.8Very high97.6Very high16 Ų1647.1 Ų47.19%0.08622%0.223CC..EExtended strand (participates in β ladder)trans-138.9137.7178-64.4-89.5000111.1K8 N9 V10 T58 L84K8-N34 PolarHBondContact O-N 3.03Å; N9-N34 HydrophobicContact CB-CB 4.5Å; N9-N34 WeakPolarHBondContact OD1-CB 3.5Å; N9-N34 PolarHBondContact OD1-ND2 2.9Å; V10-N34 PolarHBondContact N-O 3.35Å; N34-T58 WeakPolarHBondContact CA-O 3.25Å; N34-T58 WeakPolarHBondContact OD1-CB 3.41Å; N34-L84 HydrophobicContact CB-CD1 4.18Å; N34-L84 HydrophobicContact CB-CD2 4.15Å
35L98.8Very high97.5Very high0 Ų050.5 Ų50.50%025%0.251CS..EExtended strand (participates in β ladder)trans-115.9107.9163.2178.562.6000108.3V10 F12 L27 L28 L32 I37 V57 T58 V59 T60V10-L35 HydrophobicContact CB-CD1 4.16Å; V10-L35 HydrophobicContact CG1-CD1 4.13Å; F12-L35 HydrophobicContact CB-CD1 4.26Å; L27-L35 HydrophobicContact CD1-CD1 4.4Å; L28-L35 HydrophobicContact CD1-CD2 4.24Å; L28-L35 HydrophobicContact CD2-CB 4.32Å; L28-L35 HydrophobicContact CD2-CD2 3.93Å; L28-L35 HydrophobicContact CG-CD2 3.99Å; L32-L35 HydrophobicContact CD1-CB 4.16Å; L32-L35 HydrophobicContact CD1-CD1 4.43Å; L35-I37 HydrophobicContact CD2-CD1 4.44Å; L35-I37 HydrophobicContact CD2-CG1 4.49Å; L35-I37 HydrophobicContact CG-CG1 4.17Å; L35-V57 HydrophobicContact CB-CG1 4.34Å; L35-T58 PolarHBondContact N-O 3.24Å; L35-V59 HydrophobicContact CB-CG2 4.48Å; L35-V59 WeakPolarHBondContact O-CA 3.33Å; L35-T60 PolarHBondContact O-N 2.95Å
36V98.9Very high97.4Very high1 Ų148.7 Ų48.71%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-97.4118.6177-174.90000108.8V10 I11 F12 L38 Y62 I80 L84V10-V36 PolarHBondContact O-N 3.2Å; I11-V36 CarbonylContact C-O 3.53Å; I11-V36 WeakPolarHBondContact CA-O 3.5Å; I11-V36 HydrophobicContact CG1-CB 4.09Å; I11-V36 HydrophobicContact CG1-CG2 4.5Å; F12-V36 PolarHBondContact N-O 2.82Å; V36-L38 HydrophobicContact CG1-CD2 3.93Å; V36-Y62 HydrophobicContact CG1-CD2 3.71Å; V36-Y62 HydrophobicContact CG1-CE2 3.74Å; V36-I80 HydrophobicContact CG1-CD1 4.09Å; V36-I80 HydrophobicContact CG1-CG1 4.41Å; V36-I80 HydrophobicContact CG1-CG2 4.47Å; V36-I80 HydrophobicContact CG2-CG2 4.27Å; V36-L84 HydrophobicContact CG2-CD1 3.61Å
37I98.9Very high97.3Very high0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-101.9124.4-179.7-55.7175000109.1L16 L35 L50 V59 T60 F61 Y62L16-I37 HydrophobicContact CD1-CG2 4.23Å; L16-I37 HydrophobicContact CD2-CD1 3.69Å; L16-I37 HydrophobicContact CD2-CG2 4.07Å; L16-I37 HydrophobicContact CG-CG2 3.75Å; L35-I37 HydrophobicContact CD2-CD1 4.44Å; L35-I37 HydrophobicContact CD2-CG1 4.49Å; L35-I37 HydrophobicContact CG-CG1 4.17Å; I37-L50 HydrophobicContact CD1-CD1 3.44Å; I37-L50 VanDerWaalsContact CD1-CD1 3.44Å; I37-V59 HydrophobicContact CD1-CG1 3.91Å; I37-T60 PolarHBondContact N-O 2.51Å; I37-F61 HydrophobicContact CB-CD2 4.41Å; I37-F61 HydrophobicContact CG2-CD2 4.3Å; I37-F61 WeakPolarHBondContact O-CA 3.48Å; I37-Y62 PolarHBondContact O-N 3.04Å
38L98.8Very high97.3Very high2 Ų251.7 Ų51.71%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-111110.5174.2-51.9-174.3000107.8I11 F12 V13 A14 V36 Y62 Y64 L76 I80I11-L38 HydrophobicContact CG2-CD1 3.55Å; I11-L38 HydrophobicContact CG2-CG 3.83Å; F12-L38 PolarHBondContact O-N 3.31Å; V13-L38 CarbonylContact C-O 3.55Å; V13-L38 VanDerWaalsContact CA-O 3.29Å; V13-L38 WeakPolarHBondContact CA-O 3.38Å; V13-L38 HydrophobicContact CG2-CB 4.29Å; V13-L38 HydrophobicContact CG2-CD1 4.2Å; A14-L38 PolarHBondContact N-O 3.23Å; V36-L38 HydrophobicContact CG1-CD2 3.93Å; L38-Y62 WeakPolarHBondContact CA-O 3.37Å; L38-Y62 HydrophobicContact CD2-CD2 3.91Å; L38-Y62 HydrophobicContact CD2-CG 4.21Å; L38-Y64 HydrophobicContact CB-CD1 3.7Å; L38-Y64 HydrophobicContact CB-CG 4.08Å; L38-Y64 HydrophobicContact CD1-CD1 4.12Å; L38-L76 HydrophobicContact CD1-CD2 4.43Å; L38-L76 HydrophobicContact CD2-CD2 4.25Å; L38-I80 HydrophobicContact CD1-CD1 4.36Å; L38-I80 HydrophobicContact CD2-CD1 3.82Å
39D98.1Very high97.2Very high30 Ų3055.8 Ų55.816%0.1629%0.287CS..EExtended strand (participates in β ladder)trans-141156.5179.7-142.8-35.5000110.9A14 L16 F61 Y62 P63 Y64A14-D39 WeakPolarHBondContact CA-OD2 3.43Å; L16-D39 WeakPolarHBondContact CB-OD2 3.34Å; L16-D39 HydrophobicContact CD1-CB 4.35Å; L16-D39 PolarHBondContact N-OD2 3.17Å; D39-F61 HydrophobicContact CB-CE2 3.74Å; D39-F61 HydrophobicContact CB-CZ 4.49Å; D39-Y62 PolarHBondContact N-O 3.23Å; D39-P63 CarbonylContact O-C 3.59Å; D39-P63 VanDerWaalsContact O-CA 3.31Å; D39-P63 WeakPolarHBondContact O-CA 3.34Å; D39-Y64 CarbonylContact C-O 3.59Å; D39-Y64 PolarHBondContact O-N 3.48Å
40R96.3Very high97.3Very high146 Ų14649.9 Ų49.955%0.55126%0.262SS*.SBendtrans-70.8-36.3-176.2-172.3178.166.6142.60.3111.7Y64 D65R40-Y64 VanDerWaalsContact CA-O 3.29Å; R40-Y64 WeakPolarHBondContact CA-O 3.3Å; R40-Y64 PolarHBondContact N-O 2.89Å; R40-D65 WeakPolarHBondContact CD-OD2 3.34Å; R40-D65 HydrophobicContact CG-CB 4.38Å
41I94.3Very high97.3Very high111 Ų11152.5 Ų52.557%0.56928%0.275SS*.SBendtrans-121.8128.8-175.5-57.1176.2000107.8
42E93.6Very high97.4Very high116 Ų11652.4 Ų52.454%0.54228%0.284SS..  trans-68.1138.5173.6-168.7175.2-158.300110.5P44 I47 F61E42-P44 HydrophobicContact CG-CG 4.14Å; E42-I47 HydrophobicContact CG-CD1 3.86Å; E42-F61 HydrophobicContact CB-CD1 4.31Å; E42-F61 HydrophobicContact CB-CE1 3.62Å; E42-F61 HydrophobicContact CB-CZ 3.83Å; E42-F61 HydrophobicContact CG-CD1 3.9Å; E42-F61 HydrophobicContact CG-CE1 3.74Å; E42-F61 HydrophobicContact CG-CZ 4.21Å
43N95.6Very high97.3Very high66 Ų6655.4 Ų55.435%0.35330%0.3SS..  trans-125.287.5170.9-175-17.5000109.1L16 A45 A46 I47L16-N43 HydrophobicContact CD1-CB 4Å; N43-A45 PolarHBondContact O-N 3.45Å; N43-A45 PolarHBondContact OD1-N 3.43Å; N43-A46 HydrophobicContact CB-CB 4.02Å; N43-A46 VanDerWaalsContact CG-CB 3.49Å; N43-A46 PolarHBondContact O-N 3.04Å; N43-A46 PolarHBondContact OD1-N 3.41Å; N43-A46 VanDerWaalsContact OD1-N 3.12Å; N43-I47 WeakPolarHBondContact O-CG1 3.29Å; N43-I47 PolarHBondContact O-N 3.07Å
44P95.6Very high97.3Very high82 Ų8251 Ų5153%0.53228%0.281SS..Hα-helixtrans-59-34.7-174.6-26.535.5000113.4E42 I47 A48E42-P44 HydrophobicContact CG-CG 4.14Å; P44-I47 PolarHBondContact O-N 3.46Å; P44-A48 VanDerWaalsContact O-CB 3.29Å; P44-A48 WeakPolarHBondContact O-CB 3.32Å; P44-A48 PolarHBondContact O-N 3.39Å
45A96.5Very high97.2Very high71 Ų7155.5 Ų55.559%0.58731%0.311SS*.Hα-helixtrans-65.8-4717800000111.5N43 A48 E49N43-A45 PolarHBondContact O-N 3.45Å; N43-A45 PolarHBondContact OD1-N 3.43Å; A45-A48 PolarHBondContact O-N 2.94Å; A45-E49 WeakPolarHBondContact O-CB 3.46Å; A45-E49 PolarHBondContact O-N 3.06Å
46A96.5Very high97.2Very high5 Ų563.7 Ų63.74%0.04135%0.347CS..Hα-helixtrans-64.9-40.5176.100000111.9L16 L21 N43 A48 E49 L50L16-A46 HydrophobicContact CD2-CB 4.19Å; L21-A46 HydrophobicContact CD1-CB 4Å; N43-A46 HydrophobicContact CB-CB 4.02Å; N43-A46 VanDerWaalsContact CG-CB 3.49Å; N43-A46 PolarHBondContact O-N 3.04Å; N43-A46 PolarHBondContact OD1-N 3.41Å; N43-A46 VanDerWaalsContact OD1-N 3.12Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A46-A48 PolarHBondContact O-N 2.92Å; A46-E49 WeakPolarHBondContact O-CB 3.46Å; A46-E49 PolarHBondContact O-N 3.37Å; A46-L50 WeakPolarHBondContact O-CB 3.18Å; A46-L50 VanDerWaalsContact O-CG 3.25Å; A46-L50 WeakPolarHBondContact O-CG 3.48Å; A46-L50 PolarHBondContact O-N 2.98Å
47I97.6Very high97.1Very high13 Ų1364 Ų647%0.06735%0.349CS..Hα-helixtrans-63.4-41.7176.8-66.8163.2000110.9L16 E42 N43 P44 L50 K51 F61L16-I47 HydrophobicContact CD1-CD1 4.13Å; L16-I47 HydrophobicContact CD1-CG1 4.03Å; L16-I47 HydrophobicContact CD2-CG1 4.14Å; E42-I47 HydrophobicContact CG-CD1 3.86Å; N43-I47 WeakPolarHBondContact O-CG1 3.29Å; N43-I47 PolarHBondContact O-N 3.07Å; P44-I47 PolarHBondContact O-N 3.46Å; I47-L50 PolarHBondContact O-N 3.28Å; I47-K51 HydrophobicContact CG2-CD 4.28Å; I47-K51 WeakPolarHBondContact O-CG 3.49Å; I47-K51 PolarHBondContact O-N 3.45Å; I47-F61 HydrophobicContact CD1-CB 3.74Å; I47-F61 HydrophobicContact CD1-CD1 4.4Å; I47-F61 HydrophobicContact CD1-CD2 3.94Å; I47-F61 HydrophobicContact CD1-CG 3.76Å
48A97.5Very high97.1Very high57 Ų5767.5 Ų67.547%0.47137%0.37SS..Hα-helixtrans-64.4-42.8175.900000111.7P44 A45 A46 K51 A52P44-A48 VanDerWaalsContact O-CB 3.29Å; P44-A48 WeakPolarHBondContact O-CB 3.32Å; P44-A48 PolarHBondContact O-N 3.39Å; A45-A48 PolarHBondContact O-N 2.94Å; A46-A48 VanDerWaalsContact C-N 3.34Å; A46-A48 PolarHBondContact O-N 2.92Å; A48-K51 PolarHBondContact O-N 3.12Å; A48-A52 PolarHBondContact O-N 3.05Å; A48-A52 VanDerWaalsContact O-N 3.07Å
49E97.6Very high97.1Very high87 Ų8767.8 Ų67.841%0.40737%0.372SS..Hα-helixtrans-57.8-49.5173.8-173.8-173.9-175.100111.1K25 A45 A46 K51 A52 I53K25-E49 WeakPolarHBondContact CE-OE1 3.42Å; K25-E49 WeakPolarHBondContact CE-OE2 3.22Å; K25-E49 IonicContact NZ-OE1 3.94Å; K25-E49 PolarHBondContact NZ-OE1 3.49Å; K25-E49 IonicContact NZ-OE2 3Å; K25-E49 PolarHBondContact NZ-OE2 2.83Å; A45-E49 WeakPolarHBondContact O-CB 3.46Å; A45-E49 PolarHBondContact O-N 3.06Å; A46-E49 WeakPolarHBondContact O-CB 3.46Å; A46-E49 PolarHBondContact O-N 3.37Å; E49-K51 PolarHBondContact O-N 3.37Å; E49-A52 WeakPolarHBondContact O-CB 3.5Å; E49-A52 PolarHBondContact O-N 3.4Å; E49-A52 VanDerWaalsContact O-N 3.09Å; E49-I53 WeakPolarHBondContact O-CG1 3.39Å; E49-I53 PolarHBondContact O-N 3.25Å
50L98.1Very high97.1Very high0 Ų068.1 Ų68.10%038%0.375CS..Hα-helixtrans-58.3-46.9178.1-70.9176.1000111.4L16 L21 K25 L28 I37 A46 I47 A52 I53 V59L16-L50 HydrophobicContact CD2-CD1 3.83Å; L21-L50 HydrophobicContact CD1-CD1 4.36Å; L21-L50 HydrophobicContact CD1-CD2 4.29Å; L21-L50 HydrophobicContact CD1-CG 4.36Å; K25-L50 HydrophobicContact CB-CD2 4.48Å; K25-L50 HydrophobicContact CG-CD2 3.75Å; L28-L50 HydrophobicContact CD1-CB 3.67Å; L28-L50 HydrophobicContact CD1-CD2 3.59Å; L28-L50 HydrophobicContact CD1-CG 4.18Å; L28-L50 VanDerWaalsContact CD1-O 3.25Å; L28-L50 WeakPolarHBondContact CD1-O 3.14Å; I37-L50 HydrophobicContact CD1-CD1 3.44Å; I37-L50 VanDerWaalsContact CD1-CD1 3.44Å; A46-L50 WeakPolarHBondContact O-CB 3.18Å; A46-L50 VanDerWaalsContact O-CG 3.25Å; A46-L50 WeakPolarHBondContact O-CG 3.48Å; A46-L50 PolarHBondContact O-N 2.98Å; I47-L50 PolarHBondContact O-N 3.28Å; L50-A52 PolarHBondContact O-N 3.3Å; L50-I53 HydrophobicContact CD2-CD1 4.29Å; L50-I53 PolarHBondContact O-N 3.24Å; L50-V59 HydrophobicContact CB-CG1 4.47Å
51K98.1Very high97.2Very high107 Ų10763 Ų6347%0.46536%0.357SS..Hα-helixtrans-59.6-32.5176.5-74175.2179.1-179.90113.1I47 A48 E49 V59I47-K51 HydrophobicContact CG2-CD 4.28Å; I47-K51 WeakPolarHBondContact O-CG 3.49Å; I47-K51 PolarHBondContact O-N 3.45Å; A48-K51 PolarHBondContact O-N 3.12Å; E49-K51 PolarHBondContact O-N 3.37Å; K51-V59 WeakPolarHBondContact CE-O 3.49Å; K51-V59 HydrophobicContact CG-CB 3.86Å; K51-V59 HydrophobicContact CG-CG2 4.26Å
52A98Very high97.4Very high73 Ų7359.7 Ų59.760%0.60334%0.338SS*.Hα-helixtrans-74.7-27.1179.700000113.4A48 E49 L50A48-A52 PolarHBondContact O-N 3.05Å; A48-A52 VanDerWaalsContact O-N 3.07Å; E49-A52 WeakPolarHBondContact O-CB 3.5Å; E49-A52 PolarHBondContact O-N 3.4Å; E49-A52 VanDerWaalsContact O-N 3.09Å; L50-A52 PolarHBondContact O-N 3.3Å
53I98.1Very high97.7Very high68 Ų6858.8 Ų58.835%0.34934%0.342SS..Hα-helixtrans-63.3-44.4-179-68.9168.6000111.4K25 L28 E49 L50K25-I53 HydrophobicContact CB-CD1 3.72Å; K25-I53 HydrophobicContact CD-CD1 4.26Å; K25-I53 HydrophobicContact CG-CD1 3.55Å; L28-I53 HydrophobicContact CB-CB 4.36Å; L28-I53 HydrophobicContact CB-CG2 3.86Å; L28-I53 HydrophobicContact CD1-CB 4.44Å; E49-I53 WeakPolarHBondContact O-CG1 3.39Å; E49-I53 PolarHBondContact O-N 3.25Å; L50-I53 HydrophobicContact CD2-CD1 4.29Å; L50-I53 PolarHBondContact O-N 3.24Å
54N97.6Very high97.8Very high19 Ų1956.3 Ų56.310%0.10233%0.328CS..  trans-145.493176.5-168.9-13.9000110.6L28 D31 K56 V57L28-N54 HydrophobicContact CB-CB 4.46Å; L28-N54 VanDerWaalsContact O-CB 3.28Å; L28-N54 WeakPolarHBondContact O-CB 3.37Å; L28-N54 PolarHBondContact O-ND2 2.91Å; D31-N54 PolarHBondContact OD1-ND2 3.35Å; N54-K56 PolarHBondContact O-N 2.91Å; N54-K56 WeakPolarHBondContact OD1-CB 3.43Å; N54-K56 PolarHBondContact OD1-N 3.35Å; N54-V57 HydrophobicContact CB-CG2 3.94Å; N54-V57 PolarHBondContact O-N 3.1Å
55P97.2Very high97.9Very high111 Ų11154.5 Ų54.572%0.72131%0.314SS*.THydrogen-bonded Turntrans-62.2-11.5-178.3-25.235.1000114.9
56K97.4Very high98Very high173 Ų17351.6 Ų51.675%0.75229%0.289SS*.THydrogen-bonded Turntrans-78.5-24.6175.1-58176.6-176.7171.40112.4N54N54-K56 PolarHBondContact O-N 2.91Å; N54-K56 WeakPolarHBondContact OD1-CB 3.43Å; N54-K56 PolarHBondContact OD1-N 3.35Å
57V98.3Very high98.2Very high8 Ų854 Ų545%0.04830%0.302CS..SBendtrans-83.8129.2178.3-175.20000109.1L28 L32 L35 N54 V59L28-V57 HydrophobicContact CD2-CB 3.72Å; L28-V57 HydrophobicContact CD2-CG1 3.54Å; L28-V57 HydrophobicContact CD2-CG2 3.94Å; L32-V57 HydrophobicContact CB-CG1 3.82Å; L32-V57 HydrophobicContact CB-CG2 4.24Å; L32-V57 WeakPolarHBondContact O-CG2 3.45Å; L35-V57 HydrophobicContact CB-CG1 4.34Å; N54-V57 HydrophobicContact CB-CG2 3.94Å; N54-V57 PolarHBondContact O-N 3.1Å; V57-V59 HydrophobicContact CG1-CG2 4.46Å; V57-V59 PolarHBondContact O-N 2.88Å
58T98.4Very high98.2Very high73 Ų7355.5 Ų55.545%0.44831%0.312SS..EExtended strand (participates in β ladder)trans-78.1113.4171.2-61.30000109.6K33 N34 L35 T60K33-T58 PolarHBondContact O-N 2.99Å; N34-T58 WeakPolarHBondContact CA-O 3.25Å; N34-T58 WeakPolarHBondContact OD1-CB 3.41Å; L35-T58 PolarHBondContact N-O 3.24Å; T58-T60 HydrophobicContact CG2-CG2 4.06Å
59V98.6Very high98.3Very high7 Ų757 Ų574%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-102.2117174.5-174.80000109.7L28 L35 I37 L50 K51 V57L28-V59 HydrophobicContact CD1-CG2 4.38Å; L28-V59 HydrophobicContact CD2-CG2 3.91Å; L35-V59 HydrophobicContact CB-CG2 4.48Å; L35-V59 WeakPolarHBondContact O-CA 3.33Å; I37-V59 HydrophobicContact CD1-CG1 3.91Å; L50-V59 HydrophobicContact CB-CG1 4.47Å; K51-V59 WeakPolarHBondContact CE-O 3.49Å; K51-V59 HydrophobicContact CG-CB 3.86Å; K51-V59 HydrophobicContact CG-CG2 4.26Å; V57-V59 HydrophobicContact CG1-CG2 4.46Å; V57-V59 PolarHBondContact O-N 2.88Å
60T98.4Very high98.3Very high37 Ų3755.9 Ų55.923%0.22731%0.313CS..EExtended strand (participates in β ladder)trans-117.8152176.953.90000111.4L35 I37 T58L35-T60 PolarHBondContact O-N 2.95Å; I37-T60 PolarHBondContact N-O 2.51Å; T58-T60 HydrophobicContact CG2-CG2 4.06Å
61F98.7Very high98.3Very high38 Ų3859.2 Ų59.217%0.16734%0.341CS..EExtended strand (participates in β ladder)trans-123.9139.9178.3173.8-97.7000109.9L16 I37 D39 E42 I47 P63L16-F61 HydrophobicContact CD1-CD2 4.04Å; L16-F61 HydrophobicContact CD1-CE2 3.98Å; I37-F61 HydrophobicContact CB-CD2 4.41Å; I37-F61 HydrophobicContact CG2-CD2 4.3Å; I37-F61 WeakPolarHBondContact O-CA 3.48Å; D39-F61 HydrophobicContact CB-CE2 3.74Å; D39-F61 HydrophobicContact CB-CZ 4.49Å; E42-F61 HydrophobicContact CB-CD1 4.31Å; E42-F61 HydrophobicContact CB-CE1 3.62Å; E42-F61 HydrophobicContact CB-CZ 3.83Å; E42-F61 HydrophobicContact CG-CD1 3.9Å; E42-F61 HydrophobicContact CG-CE1 3.74Å; E42-F61 HydrophobicContact CG-CZ 4.21Å; I47-F61 HydrophobicContact CD1-CB 3.74Å; I47-F61 HydrophobicContact CD1-CD1 4.4Å; I47-F61 HydrophobicContact CD1-CD2 3.94Å; I47-F61 HydrophobicContact CD1-CG 3.76Å; F61-P63 HydrophobicContact CE1-CB 4.4Å
62Y98.5Very high98.4Very high42 Ų4258.8 Ų58.817%0.16534%0.341CS..EExtended strand (participates in β ladder)trans-132.7136.2166-60-94.3000110V36 I37 L38 D39 Y64 L76 I80 Q83V36-Y62 HydrophobicContact CG1-CD2 3.71Å; V36-Y62 HydrophobicContact CG1-CE2 3.74Å; I37-Y62 PolarHBondContact O-N 3.04Å; L38-Y62 WeakPolarHBondContact CA-O 3.37Å; L38-Y62 HydrophobicContact CD2-CD2 3.91Å; L38-Y62 HydrophobicContact CD2-CG 4.21Å; D39-Y62 PolarHBondContact N-O 3.23Å; Y62-Y64 PolarHBondContact O-N 2.71Å; Y62-L76 HydrophobicContact CD1-CD1 3.89Å; Y62-L76 HydrophobicContact CG-CD1 3.98Å; Y62-I80 HydrophobicContact CD2-CD1 4.27Å; Y62-I80 HydrophobicContact CD2-CG1 4.25Å; Y62-I80 HydrophobicContact CE2-CD1 4.41Å; Y62-I80 HydrophobicContact CE2-CG1 3.92Å; Y62-Q83 PolarHBondContact OH-OE1 2.81Å
63P98.3Very high98.4Very high98 Ų9855.4 Ų55.464%0.63631%0.313SS*.EExtended strand (participates in β ladder)trans-64.2129.2171.327.7-33.3000109.7D39 F61D39-P63 CarbonylContact O-C 3.59Å; D39-P63 VanDerWaalsContact O-CA 3.31Å; D39-P63 WeakPolarHBondContact O-CA 3.34Å; F61-P63 HydrophobicContact CE1-CB 4.4Å
64Y98.8Very high98.4Very high14 Ų1453.4 Ų53.46%0.05530%0.304CS..  trans-149.2120-178-178.9-129000111.9V13 L38 D39 R40 Y62 V66 V68 T73 L76 T116V13-Y64 HydrophobicContact CG1-CD1 4.04Å; V13-Y64 HydrophobicContact CG1-CE1 4.02Å; V13-Y64 HydrophobicContact CG2-CD1 4.44Å; V13-Y64 HydrophobicContact CG2-CE1 4.21Å; L38-Y64 HydrophobicContact CB-CD1 3.7Å; L38-Y64 HydrophobicContact CB-CG 4.08Å; L38-Y64 HydrophobicContact CD1-CD1 4.12Å; D39-Y64 CarbonylContact C-O 3.59Å; D39-Y64 PolarHBondContact O-N 3.48Å; R40-Y64 VanDerWaalsContact CA-O 3.29Å; R40-Y64 WeakPolarHBondContact CA-O 3.3Å; R40-Y64 PolarHBondContact N-O 2.89Å; Y62-Y64 PolarHBondContact O-N 2.71Å; Y64-V66 HydrophobicContact CD1-CG1 4.12Å; Y64-V66 HydrophobicContact CE1-CB 4.42Å; Y64-V66 HydrophobicContact CE1-CG1 3.56Å; Y64-V68 HydrophobicContact CE2-CG2 4Å; Y64-T73 HydrophobicContact CE2-CG2 3.99Å; Y64-T73 WeakPolarHBondContact CE2-OG1 3.03Å; Y64-T73 WeakPolarHBondContact OH-CG2 3.26Å; Y64-T73 PolarHBondContact OH-OG1 3.38Å; Y64-L76 HydrophobicContact CD2-CD2 3.72Å; Y64-L76 HydrophobicContact CE2-CD2 4.49Å; Y64-L76 HydrophobicContact CG-CD2 4.01Å; Y64-T116 HydrophobicContact CE1-CG2 4.33Å; Y64-T116 PolarHBondContact OH-OG1 3.15Å
65D98.6Very high98.5Very high44 Ų4458.8 Ų58.824%0.23533%0.326CS..  trans-101.2118.5166.3-170.5-37.4000108.8R40 T67 V68 R104R40-D65 WeakPolarHBondContact CD-OD2 3.34Å; R40-D65 HydrophobicContact CG-CB 4.38Å; D65-T67 PolarHBondContact O-N 3.46Å; D65-T67 WeakPolarHBondContact OD1-CB 3.39Å; D65-T67 PolarHBondContact OD1-N 3.48Å; D65-T67 PolarHBondContact OD1-OG1 3.1Å; D65-V68 HydrophobicContact CB-CG1 4.26Å; D65-V68 WeakPolarHBondContact O-CG1 3.27Å; D65-V68 VanDerWaalsContact O-CG2 3.26Å; D65-V68 WeakPolarHBondContact O-CG2 3.36Å; D65-V68 PolarHBondContact O-N 3.48Å; D65-V68 VanDerWaalsContact O-N 3.15Å; D65-R104 IonicContact OD1-NH1 2.72Å; D65-R104 IonicContact OD1-NH2 3.32Å; D65-R104 IonicContact OD2-NH2 2.91Å; D65-R104 PolarHBondContact OD2-NH2 3.3Å
66V98.8Very high98.6Very high10 Ų1055 Ų556%0.06130%0.3CS..THydrogen-bonded Turntrans-62-14.2-179.5-650000114.1V13 Y64 V68 A94 V108 G112V13-V66 HydrophobicContact CG1-CG1 3.65Å; Y64-V66 HydrophobicContact CD1-CG1 4.12Å; Y64-V66 HydrophobicContact CE1-CB 4.42Å; Y64-V66 HydrophobicContact CE1-CG1 3.56Å; V66-V68 VanDerWaalsContact C-N 3.35Å; V66-A94 HydrophobicContact CB-CB 4.47Å; V66-A94 HydrophobicContact CG1-CB 3.67Å; V66-A94 HydrophobicContact CG2-CB 3.99Å; V66-V108 HydrophobicContact CG2-CB 4.36Å; V66-V108 HydrophobicContact CG2-CG1 4.01Å; V66-V108 HydrophobicContact CG2-CG2 4.46Å; V66-G112 VanDerWaalsContact O-CA 3.22Å; V66-G112 WeakPolarHBondContact O-CA 3.37Å
67T98.7Very high98.6Very high54 Ų5446.9 Ų46.933%0.33126%0.264SS..THydrogen-bonded Turntrans-88.82.6178.260.90000114.9D65 R104 A107 V108D65-T67 PolarHBondContact O-N 3.46Å; D65-T67 WeakPolarHBondContact OD1-CB 3.39Å; D65-T67 PolarHBondContact OD1-N 3.48Å; D65-T67 PolarHBondContact OD1-OG1 3.1Å; T67-R104 PolarHBondContact OG1-NH1 3.28Å; T67-A107 HydrophobicContact CG2-CB 3.72Å; T67-V108 HydrophobicContact CG2-CG2 4Å
68V98.8Very high98.7Very high45 Ų4553.4 Ų53.427%0.27329%0.292SS..SBendtrans-66.6156168-58.30000111Y64 D65 V66 E72Y64-V68 HydrophobicContact CE2-CG2 4Å; D65-V68 HydrophobicContact CB-CG1 4.26Å; D65-V68 WeakPolarHBondContact O-CG1 3.27Å; D65-V68 VanDerWaalsContact O-CG2 3.26Å; D65-V68 WeakPolarHBondContact O-CG2 3.36Å; D65-V68 PolarHBondContact O-N 3.48Å; D65-V68 VanDerWaalsContact O-N 3.15Å; V66-V68 VanDerWaalsContact C-N 3.35Å; V68-E72 HydrophobicContact CB-CB 4.13Å; V68-E72 HydrophobicContact CG2-CB 3.95Å
69P98.6Very high98.7Very high89 Ų8953 Ų5358%0.57829%0.289SS*.  trans-56.8153.5174.4-25.435.3000113A71 E72 T73P69-A71 PolarHBondContact O-N 2.81Å; P69-A71 VanDerWaalsContact O-N 3.14Å; P69-E72 PolarHBondContact O-N 3.36Å; P69-T73 PolarHBondContact O-N 2.87Å
70I98.7Very high98.7Very high63 Ų6352.7 Ų52.732%0.32329%0.288SS..Hα-helixtrans-50.9-42178-66.5170000111.1E72 T73 T74 N115 T118 A119I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 2.89Å; I70-T73 CarbonylContact O-C 3.52Å; I70-T73 WeakPolarHBondContact O-CB 3.42Å; I70-T73 PolarHBondContact O-N 2.98Å; I70-T73 VanDerWaalsContact O-N 3.12Å; I70-T74 PolarHBondContact O-N 2.96Å; I70-T74 PolarHBondContact O-OG1 3.12Å; I70-T74 VanDerWaalsContact O-OG1 3.11Å; I70-N115 HydrophobicContact CG1-CB 3.75Å; I70-T118 HydrophobicContact CD1-CG2 4.04Å; I70-T118 HydrophobicContact CG2-CG2 4.48Å; I70-A119 HydrophobicContact CG2-CB 4.13Å
71A98.6Very high98.7Very high71 Ų7152 Ų5259%0.58728%0.282SS*.Hα-helixtrans-58.6-39.8-179.600000113.7P69 T74 K75P69-A71 PolarHBondContact O-N 2.81Å; P69-A71 VanDerWaalsContact O-N 3.14Å; A71-T74 PolarHBondContact O-N 3.19Å; A71-K75 WeakPolarHBondContact O-CB 3.43Å; A71-K75 PolarHBondContact O-N 2.8Å
72E98.7Very high98.7Very high98 Ų9852.9 Ų52.946%0.45830%0.296SS..Hα-helixtrans-71.4-37.5176.6-69.3-57.6145.800111.2V68 P69 I70 K75 L76V68-E72 HydrophobicContact CB-CB 4.13Å; V68-E72 HydrophobicContact CG2-CB 3.95Å; P69-E72 PolarHBondContact O-N 3.36Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 2.89Å; E72-K75 PolarHBondContact O-N 3.04Å; E72-K75 IonicContact OE2-NZ 3.22Å; E72-L76 PolarHBondContact O-N 2.88Å
73T98.8Very high98.7Very high2 Ų256.3 Ų56.31%0.01231%0.314CS..Hα-helixtrans-61.7-46171.7-58.80000111Y64 P69 I70 K75 L76 L77 T116 A119Y64-T73 HydrophobicContact CE2-CG2 3.99Å; Y64-T73 WeakPolarHBondContact CE2-OG1 3.03Å; Y64-T73 WeakPolarHBondContact OH-CG2 3.26Å; Y64-T73 PolarHBondContact OH-OG1 3.38Å; P69-T73 PolarHBondContact O-N 2.87Å; I70-T73 CarbonylContact O-C 3.52Å; I70-T73 WeakPolarHBondContact O-CB 3.42Å; I70-T73 PolarHBondContact O-N 2.98Å; I70-T73 VanDerWaalsContact O-N 3.12Å; T73-K75 VanDerWaalsContact C-N 3.29Å; T73-K75 PolarHBondContact O-N 2.8Å; T73-L76 PolarHBondContact O-N 2.85Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.38Å; T73-L77 WeakPolarHBondContact O-CG 3.45Å; T73-L77 PolarHBondContact O-N 3.47Å; T73-T116 HydrophobicContact CG2-CG2 4.29Å; T73-A119 HydrophobicContact CG2-CB 3.58Å
74T98.8Very high98.7Very high25 Ų2552.8 Ų52.815%0.15329%0.289CS..Hα-helixtrans-60.5-37.9177-59.90000111.6I70 A71 L77 K78 A119 D122 F123I70-T74 PolarHBondContact O-N 2.96Å; I70-T74 PolarHBondContact O-OG1 3.12Å; I70-T74 VanDerWaalsContact O-OG1 3.11Å; A71-T74 PolarHBondContact O-N 3.19Å; T74-L77 PolarHBondContact O-N 3.38Å; T74-K78 WeakPolarHBondContact O-CB 3.43Å; T74-K78 PolarHBondContact O-N 3.35Å; T74-A119 WeakPolarHBondContact OG1-CB 3.25Å; T74-D122 HydrophobicContact CG2-CB 4.46Å; T74-F123 HydrophobicContact CG2-CE2 4.06Å; T74-F123 HydrophobicContact CG2-CZ 4.09Å
75K98.8Very high98.6Very high133 Ų13359.6 Ų59.658%0.57832%0.319SS*.Hα-helixtrans-64.6-43.5176-178.5-177173.6-171.50112.4A71 E72 T73 K78 T79A71-K75 WeakPolarHBondContact O-CB 3.43Å; A71-K75 PolarHBondContact O-N 2.8Å; E72-K75 PolarHBondContact O-N 3.04Å; E72-K75 IonicContact OE2-NZ 3.22Å; T73-K75 VanDerWaalsContact C-N 3.29Å; T73-K75 PolarHBondContact O-N 2.8Å; K75-K78 PolarHBondContact O-N 3.46Å; K75-T79 PolarHBondContact O-N 2.89Å; K75-T79 PolarHBondContact O-OG1 3.33Å
76L98.8Very high98.6Very high31 Ų3161 Ų6116%0.16233%0.329CS..Hα-helixtrans-62.5-49.1173.9175.758.2000111L38 Y62 Y64 E72 T73 K78 T79 I80L38-L76 HydrophobicContact CD1-CD2 4.43Å; L38-L76 HydrophobicContact CD2-CD2 4.25Å; Y62-L76 HydrophobicContact CD1-CD1 3.89Å; Y62-L76 HydrophobicContact CG-CD1 3.98Å; Y64-L76 HydrophobicContact CD2-CD2 3.72Å; Y64-L76 HydrophobicContact CE2-CD2 4.49Å; Y64-L76 HydrophobicContact CG-CD2 4.01Å; E72-L76 PolarHBondContact O-N 2.88Å; T73-L76 PolarHBondContact O-N 2.85Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.23Å; L76-T79 WeakPolarHBondContact O-CA 3.22Å; L76-T79 VanDerWaalsContact O-CB 3.29Å; L76-T79 WeakPolarHBondContact O-CB 3.35Å; L76-T79 PolarHBondContact O-N 3.1Å; L76-I80 HydrophobicContact CD1-CD1 4.26Å; L76-I80 HydrophobicContact CG-CD1 4.12Å; L76-I80 PolarHBondContact O-N 2.78Å; L76-I80 VanDerWaalsContact O-N 3.14Å
77L98.9Very high98.6Very high2 Ų260.8 Ų60.81%0.0133%0.328CS..Hα-helixtrans-58.6-41.3177-69177000111.6I11 T73 T74 T79 I80 F81 A119 I120 F123I11-L77 HydrophobicContact CD1-CD2 3.82Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.38Å; T73-L77 WeakPolarHBondContact O-CG 3.45Å; T73-L77 PolarHBondContact O-N 3.47Å; T74-L77 PolarHBondContact O-N 3.38Å; L77-T79 PolarHBondContact O-N 2.87Å; L77-I80 HydrophobicContact CD2-CD1 4.41Å; L77-I80 PolarHBondContact O-N 3.34Å; L77-F81 HydrophobicContact CB-CD2 4.4Å; L77-F81 VanDerWaalsContact O-CD2 3.32Å; L77-F81 WeakPolarHBondContact O-CD2 3.46Å; L77-F81 PolarHBondContact O-N 3.08Å; L77-A119 HydrophobicContact CD1-CB 3.87Å; L77-I120 HydrophobicContact CD1-CB 3.87Å; L77-I120 HydrophobicContact CD1-CG1 4.2Å; L77-F123 HydrophobicContact CB-CD2 4.28Å; L77-F123 HydrophobicContact CB-CE2 3.6Å; L77-F123 HydrophobicContact CB-CZ 4.05Å; L77-F123 HydrophobicContact CD1-CE2 4.32Å
78K98.8Very high98.6Very high145 Ų14560.5 Ų60.563%0.6332%0.324SS*.Hα-helixtrans-55.8-39175.1-173.1177-179.4178.30112.1T74 K75 L76 A82 F123T74-K78 WeakPolarHBondContact O-CB 3.43Å; T74-K78 PolarHBondContact O-N 3.35Å; K75-K78 PolarHBondContact O-N 3.46Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.23Å; K78-A82 VanDerWaalsContact O-CB 3.25Å; K78-A82 WeakPolarHBondContact O-CB 3.17Å; K78-A82 PolarHBondContact O-N 3.27Å; K78-F123 HydrophobicContact CB-CE1 4.13Å; K78-F123 HydrophobicContact CB-CZ 3.89Å; K78-F123 HydrophobicContact CG-CE1 4.48Å
79T98.7Very high98.6Very high64 Ų6458.4 Ų58.439%0.39331%0.312SS..Hα-helixtrans-65.2-44.9176.5-55.80000111K75 L76 L77 A82 Q83K75-T79 PolarHBondContact O-N 2.89Å; K75-T79 PolarHBondContact O-OG1 3.33Å; L76-T79 WeakPolarHBondContact O-CA 3.22Å; L76-T79 VanDerWaalsContact O-CB 3.29Å; L76-T79 WeakPolarHBondContact O-CB 3.35Å; L76-T79 PolarHBondContact O-N 3.1Å; L77-T79 PolarHBondContact O-N 2.87Å; T79-A82 PolarHBondContact O-N 2.89Å; T79-Q83 WeakPolarHBondContact O-CG 3.46Å; T79-Q83 PolarHBondContact O-N 3.1Å
80I98.8Very high98.6Very high1 Ų154.2 Ų54.21%0.00528%0.284CS..Hα-helixtrans-65.2-48.7178.7-63.6162.2000111I11 V36 L38 Y62 L76 L77 A82 Q83 L84 V87I11-I80 HydrophobicContact CD1-CD1 4.39Å; I11-I80 HydrophobicContact CD1-CG2 4.02Å; I11-I80 HydrophobicContact CG1-CG2 4.46Å; V36-I80 HydrophobicContact CG1-CD1 4.09Å; V36-I80 HydrophobicContact CG1-CG1 4.41Å; V36-I80 HydrophobicContact CG1-CG2 4.47Å; V36-I80 HydrophobicContact CG2-CG2 4.27Å; L38-I80 HydrophobicContact CD1-CD1 4.36Å; L38-I80 HydrophobicContact CD2-CD1 3.82Å; Y62-I80 HydrophobicContact CD2-CD1 4.27Å; Y62-I80 HydrophobicContact CD2-CG1 4.25Å; Y62-I80 HydrophobicContact CE2-CD1 4.41Å; Y62-I80 HydrophobicContact CE2-CG1 3.92Å; L76-I80 HydrophobicContact CD1-CD1 4.26Å; L76-I80 HydrophobicContact CG-CD1 4.12Å; L76-I80 PolarHBondContact O-N 2.78Å; L76-I80 VanDerWaalsContact O-N 3.14Å; L77-I80 HydrophobicContact CD2-CD1 4.41Å; L77-I80 PolarHBondContact O-N 3.34Å; I80-A82 VanDerWaalsContact C-N 3.3Å; I80-A82 PolarHBondContact O-N 3.07Å; I80-Q83 PolarHBondContact O-N 2.81Å; I80-Q83 VanDerWaalsContact O-N 3.1Å; I80-L84 HydrophobicContact CG2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CG 4.24Å; I80-L84 PolarHBondContact O-N 3.08Å; I80-V87 HydrophobicContact CG2-CG2 4.47Å
81F98.7Very high98.6Very high23 Ų2351.2 Ų51.210%0.10127%0.269CS..Hα-helixtrans-63.5-34.1177.7-85.7-93.7000112.3L77 Q83 K85 V87 I120 F123 W124L77-F81 HydrophobicContact CB-CD2 4.4Å; L77-F81 VanDerWaalsContact O-CD2 3.32Å; L77-F81 WeakPolarHBondContact O-CD2 3.46Å; L77-F81 PolarHBondContact O-N 3.08Å; F81-Q83 PolarHBondContact O-N 3.04Å; F81-K85 VanDerWaalsContact O-CA 3.22Å; F81-K85 WeakPolarHBondContact O-CA 3.46Å; F81-K85 PolarHBondContact O-N 3.04Å; F81-V87 HydrophobicContact CD1-CG2 4.25Å; F81-V87 HydrophobicContact CD2-CG2 4.19Å; F81-V87 HydrophobicContact CE1-CB 4.03Å; F81-V87 HydrophobicContact CE1-CG2 3.9Å; F81-V87 HydrophobicContact CE2-CB 4.29Å; F81-V87 HydrophobicContact CE2-CG2 3.83Å; F81-V87 HydrophobicContact CG-CG2 4.4Å; F81-V87 HydrophobicContact CZ-CB 3.73Å; F81-V87 HydrophobicContact CZ-CG2 3.68Å; F81-I120 HydrophobicContact CE2-CD1 4.33Å; F81-I120 HydrophobicContact CE2-CG1 4.08Å; F81-I120 HydrophobicContact CZ-CD1 4.4Å; F81-I120 HydrophobicContact CZ-CG1 4.16Å; F81-F123 HydrophobicContact CB-CD1 4.15Å; F81-F123 HydrophobicContact CB-CE1 4.36Å; F81-F123 HydrophobicContact CD1-CB 4.11Å; F81-F123 HydrophobicContact CD1-CD1 4.26Å; F81-F123 HydrophobicContact CD1-CG 4.36Å; F81-F123 HydrophobicContact CD2-CB 4.26Å; F81-F123 AromaticContact CD2-CD1 3.96Å; F81-F123 HydrophobicContact CD2-CD1 3.96Å; F81-F123 HydrophobicContact CD2-CD2 4.2Å; F81-F123 HydrophobicContact CD2-CE1 4.38Å; F81-F123 AromaticContact CD2-CG 3.86Å; F81-F123 HydrophobicContact CD2-CG 3.86Å; F81-F123 HydrophobicContact CE1-CB 3.73Å; F81-F123 HydrophobicContact CE1-CG 4.35Å; F81-F123 HydrophobicContact CE2-CB 3.91Å; F81-F123 HydrophobicContact CE2-CD1 4.42Å; F81-F123 HydrophobicContact CE2-CD2 4.05Å; F81-F123 AromaticContact CE2-CG 3.86Å; F81-F123 HydrophobicContact CE2-CG 3.86Å; F81-F123 HydrophobicContact CG-CB 4.36Å; F81-F123 AromaticContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CE1 4.43Å; F81-F123 HydrophobicContact CG-CG 4.12Å; F81-F123 HydrophobicContact CZ-CB 3.62Å; F81-F123 HydrophobicContact CZ-CG 4.1Å; F81-W124 AromaticContact CE1-NE1 3.89Å; F81-W124 AromaticContact CZ-CD1 3.99Å; F81-W124 AromaticContact CZ-NE1 3.66Å
82A98.4Very high98.6Very high57 Ų5748 Ų4847%0.47124%0.242SC..Hα-helixtrans-62.1-33.7174.500000112.4K78 T79 I80 K85K78-A82 VanDerWaalsContact O-CB 3.25Å; K78-A82 WeakPolarHBondContact O-CB 3.17Å; K78-A82 PolarHBondContact O-N 3.27Å; T79-A82 PolarHBondContact O-N 2.89Å; I80-A82 VanDerWaalsContact C-N 3.3Å; I80-A82 PolarHBondContact O-N 3.07Å; A82-K85 WeakPolarHBondContact O-CE 3.35Å; A82-K85 PolarHBondContact O-NZ 2.95Å
83Q98.1Very high98.6Very high114 Ų11444.1 Ų44.153%0.53323%0.229SC..Hα-helixtrans-82.7-48.5178.3-64.8-179.95.900112.2Y62 T79 I80 F81Y62-Q83 PolarHBondContact OH-OE1 2.81Å; T79-Q83 WeakPolarHBondContact O-CG 3.46Å; T79-Q83 PolarHBondContact O-N 3.1Å; I80-Q83 PolarHBondContact O-N 2.81Å; I80-Q83 VanDerWaalsContact O-N 3.1Å; F81-Q83 PolarHBondContact O-N 3.04Å
84L98.3Very high98.6Very high24 Ų2444.9 Ų44.913%0.12624%0.235CC..Hα-helixtrans-86.5-21.3-171.7-60.3-168.9000114.3N9 N34 V36 I80 T86 V87N9-L84 HydrophobicContact CB-CD1 4.25Å; N34-L84 HydrophobicContact CB-CD1 4.18Å; N34-L84 HydrophobicContact CB-CD2 4.15Å; V36-L84 HydrophobicContact CG2-CD1 3.61Å; I80-L84 HydrophobicContact CG2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CG 4.24Å; I80-L84 PolarHBondContact O-N 3.08Å; L84-T86 WeakPolarHBondContact CB-O 3.48Å; L84-T86 PolarHBondContact O-N 3.34Å; L84-V87 HydrophobicContact CD1-CG2 4.44Å
85K97.4Very high98.5Very high157 Ų15745.3 Ų45.368%0.68324%0.244SC*.SBendtrans65.3-40-171.4-47.8-54-177-170.70114.5F81 A82F81-K85 VanDerWaalsContact O-CA 3.22Å; F81-K85 WeakPolarHBondContact O-CA 3.46Å; F81-K85 PolarHBondContact O-N 3.04Å; A82-K85 WeakPolarHBondContact O-CE 3.35Å; A82-K85 PolarHBondContact O-NZ 2.95Å
86T98.1Very high98.4Very high73 Ų7341.2 Ų41.245%0.44823%0.228SC..  trans-128.6149.8175.158.30000110.7N9 L84N9-T86 WeakPolarHBondContact CB-O 3.4Å; N9-T86 PolarHBondContact ND2-O 3Å; N9-T86 PolarHBondContact ND2-OG1 2.86Å; L84-T86 WeakPolarHBondContact CB-O 3.48Å; L84-T86 PolarHBondContact O-N 3.34Å
87V98.8Very high98.4Very high6 Ų640.6 Ų40.64%0.03623%0.225CC..  trans-130.2132.9165.4-179.80000105.6I11 I80 F81 L84 W124I11-V87 HydrophobicContact CB-CG1 4.48Å; I11-V87 HydrophobicContact CD1-CG1 3.85Å; I11-V87 HydrophobicContact CD1-CG2 4.01Å; I11-V87 HydrophobicContact CG1-CG1 3.8Å; I11-V87 HydrophobicContact CG1-CG2 4.42Å; I80-V87 HydrophobicContact CG2-CG2 4.47Å; F81-V87 HydrophobicContact CD1-CG2 4.25Å; F81-V87 HydrophobicContact CD2-CG2 4.19Å; F81-V87 HydrophobicContact CE1-CB 4.03Å; F81-V87 HydrophobicContact CE1-CG2 3.9Å; F81-V87 HydrophobicContact CE2-CB 4.29Å; F81-V87 HydrophobicContact CE2-CG2 3.83Å; F81-V87 HydrophobicContact CG-CG2 4.4Å; F81-V87 HydrophobicContact CZ-CB 3.73Å; F81-V87 HydrophobicContact CZ-CG2 3.68Å; L84-V87 HydrophobicContact CD1-CG2 4.44Å; V87-W124 HydrophobicContact CB-CZ2 4.02Å; V87-W124 HydrophobicContact CG1-CZ2 3.82Å; V87-W124 VanDerWaalsContact O-CZ2 3.26Å; V87-W124 WeakPolarHBondContact O-CZ2 3.33Å; V87-W124 PolarHBondContact O-NE1 3.06Å
88D98.8Very high98.4Very high47 Ų4741.8 Ų41.825%0.25123%0.231SC..  trans-98.5-39-174.8-58.6-81.7000111.9K8 N9 I134K8-D88 WeakPolarHBondContact CA-OD2 3.28Å; K8-D88 HydrophobicContact CB-CB 4.17Å; K8-D88 HydrophobicContact CD-CB 3.7Å; K8-D88 WeakPolarHBondContact CD-OD1 3.48Å; K8-D88 HydrophobicContact CG-CB 4.4Å; N9-D88 PolarHBondContact N-OD2 3.39Å; N9-D88 PolarHBondContact O-N 3.15Å; D88-I134 PolarHBondContact O-N 2.77Å; D88-I134 VanDerWaalsContact O-N 3.16Å
89V98.9Very high98.3Very high1 Ų135 Ų351%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-135.1133.5-174.5-172.90000110.5F3 N9 V10 I11 I91 I134F3-V89 HydrophobicContact CZ-CG2 3.84Å; N9-V89 PolarHBondContact O-N 2.87Å; V10-V89 WeakPolarHBondContact CA-O 3.31Å; V10-V89 HydrophobicContact CG1-CB 4.29Å; V10-V89 HydrophobicContact CG2-CB 4.23Å; I11-V89 PolarHBondContact N-O 2.9Å; V89-I91 HydrophobicContact CG1-CG1 4.01Å; V89-I134 WeakPolarHBondContact CA-O 3.33Å; V89-I134 HydrophobicContact CG1-CG2 4.45Å; V89-I134 HydrophobicContact CG2-CB 4.29Å; V89-I134 HydrophobicContact CG2-CD1 4.32Å
90L98.9Very high98.3Very high1 Ų136.3 Ų36.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-110.8123.9166.1170.965.2000108.3I11 V13 T116 I120 W124 I134 I135 C136I11-L90 HydrophobicContact CB-CD1 4Å; I11-L90 HydrophobicContact CG2-CD1 3.67Å; I11-L90 WeakPolarHBondContact O-CA 3.44Å; V13-L90 HydrophobicContact CG2-CD1 4.09Å; L90-T116 HydrophobicContact CD1-CG2 4.41Å; L90-T116 HydrophobicContact CD2-CG2 4.2Å; L90-I120 HydrophobicContact CB-CD1 3.9Å; L90-I120 HydrophobicContact CD2-CB 4.23Å; L90-I120 HydrophobicContact CD2-CD1 3.89Å; L90-I120 HydrophobicContact CD2-CG2 3.76Å; L90-I120 HydrophobicContact CG-CD1 4.31Å; L90-W124 HydrophobicContact CB-CH2 3.77Å; L90-W124 HydrophobicContact CB-CZ3 4.02Å; L90-I134 PolarHBondContact N-O 3.2Å; L90-I135 HydrophobicContact CB-CG1 4.5Å; L90-I135 WeakPolarHBondContact O-CA 3.31Å; L90-C136 PolarHBondContact O-N 3.19Å
91I98.9Very high98.3Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-106.9113.6171.6-49.5175000108.2V10 I11 F12 V13 L27 V89 C136 I138 F223 I227V10-I91 HydrophobicContact CG1-CD1 3.9Å; V10-I91 HydrophobicContact CG1-CG1 4.22Å; I11-I91 PolarHBondContact O-N 3.16Å; F12-I91 HydrophobicContact CB-CB 4.42Å; F12-I91 HydrophobicContact CD1-CB 3.59Å; F12-I91 HydrophobicContact CD1-CD1 4.47Å; F12-I91 HydrophobicContact CD1-CG2 3.57Å; F12-I91 HydrophobicContact CD2-CD1 4.14Å; F12-I91 HydrophobicContact CE1-CB 3.97Å; F12-I91 HydrophobicContact CE1-CG2 3.37Å; F12-I91 HydrophobicContact CE2-CD1 4.41Å; F12-I91 HydrophobicContact CG-CB 4.01Å; F12-I91 HydrophobicContact CG-CD1 4.15Å; F12-I91 HydrophobicContact CG-CG2 4.3Å; F12-I91 HydrophobicContact CZ-CG2 3.93Å; V13-I91 PolarHBondContact N-O 2.92Å; L27-I91 HydrophobicContact CD1-CD1 3.84Å; V89-I91 HydrophobicContact CG1-CG1 4.01Å; I91-C136 CarbonylContact C-O 3.54Å; I91-C136 VanDerWaalsContact CA-O 3.3Å; I91-C136 WeakPolarHBondContact CA-O 3.14Å; I91-C136 HydrophobicContact CG1-CB 4.29Å; I91-C136 HydrophobicContact CG2-CB 4.46Å; I91-I138 HydrophobicContact CG2-CD1 4.22Å; I91-I138 HydrophobicContact CG2-CG1 4.22Å; I91-F223 HydrophobicContact CG2-CE1 4.23Å; I91-F223 HydrophobicContact CG2-CZ 3.9Å; I91-I227 HydrophobicContact CD1-CD1 3.86Å
92N98.9Very high98.3Very high4 Ų442.3 Ų42.32%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-92.4102.1174.2-67.5-51.2000109.7L113 T117 C136 N137 I138N92-L113 HydrophobicContact CB-CD1 3.74Å; N92-L113 HydrophobicContact CB-CG 3.8Å; N92-T117 PolarHBondContact ND2-OG1 3.32Å; N92-C136 PolarHBondContact N-O 3.31Å; N92-N137 WeakPolarHBondContact CB-OD1 3.28Å; N92-N137 PolarHBondContact ND2-OD1 3.36Å; N92-I138 WeakPolarHBondContact O-CG1 3.22Å; N92-I138 PolarHBondContact O-N 3.24Å
93G98.1Very high98.4Very high17 Ų1746.6 Ų46.618%0.17524%0.243CC..  trans-114.4-3.7-175.700000116.5V13 G95V13-G93 CarbonylContact O-C 3.33Å; V13-G93 WeakPolarHBondContact O-CA 3.49Å; V13-G93 PolarHBondContact O-N 2.95Å; G93-G95 PolarHBondContact O-N 3.31Å
94A97.9Very high98.4Very high18 Ų1844.2 Ų44.215%0.14923%0.229CC..  trans-60.2132.8-179.100000111.5V13 A14 V66 V108V13-A94 HydrophobicContact CG1-CB 4.02Å; A14-A94 HydrophobicContact CB-CB 4.2Å; V66-A94 HydrophobicContact CB-CB 4.47Å; V66-A94 HydrophobicContact CG1-CB 3.67Å; V66-A94 HydrophobicContact CG2-CB 3.99Å; A94-V108 HydrophobicContact CB-CG1 4.26Å
95G97.1Very high98.4Very high33 Ų3343 Ų4334%0.3422%0.223SC..  trans-167.3144.1178.200000112.7G93 N109G93-G95 PolarHBondContact O-N 3.31Å; G95-N109 WeakPolarHBondContact CA-OD1 3.39Å
96I97.8Very high98.5Very high47 Ų4738.9 Ų38.924%0.24121%0.208CC..  trans-125.9158.3168.664168.2000109.7R104 V108 N109 Y153I96-R104 HydrophobicContact CD1-CB 4.14Å; I96-R104 HydrophobicContact CD1-CG 3.58Å; I96-V108 HydrophobicContact CD1-CG2 4.48Å; I96-V108 HydrophobicContact CG1-CB 4.3Å; I96-V108 HydrophobicContact CG2-CG1 4.32Å; I96-N109 PolarHBondContact N-OD1 2.99Å; I96-N109 PolarHBondContact O-ND2 2.88Å; I96-N109 PolarHBondContact O-OD1 3.47Å; I96-Y153 VanDerWaalsContact O-CD2 3.22Å; I96-Y153 WeakPolarHBondContact O-CD2 3.44Å; I96-Y153 WeakPolarHBondContact O-CE2 3.29Å
97L98.2Very high98.5Very high19 Ų1936.8 Ų36.810%0.09920%0.198CC..  trans-132.992.3176.9-165.1167.7000107.3V150 Y153 L190 F194L97-V150 HydrophobicContact CD2-CG1 4.09Å; L97-Y153 HydrophobicContact CB-CD2 3.86Å; L97-Y153 HydrophobicContact CB-CE2 3.93Å; L97-Y153 HydrophobicContact CB-CG 4.46Å; L97-Y153 HydrophobicContact CD1-CD1 4.1Å; L97-Y153 HydrophobicContact CD1-CD2 4.2Å; L97-Y153 HydrophobicContact CD1-CE1 3.95Å; L97-Y153 HydrophobicContact CD1-CE2 4.04Å; L97-Y153 HydrophobicContact CD1-CG 4.22Å; L97-Y153 HydrophobicContact CG-CD1 4.15Å; L97-Y153 HydrophobicContact CG-CD2 3.68Å; L97-Y153 HydrophobicContact CG-CE1 4.4Å; L97-Y153 HydrophobicContact CG-CE2 3.94Å; L97-Y153 HydrophobicContact CG-CG 3.79Å; L97-L190 HydrophobicContact CB-CD1 3.72Å; L97-L190 HydrophobicContact CB-CD2 4.47Å; L97-L190 HydrophobicContact CB-CG 4.05Å; L97-F194 HydrophobicContact CD2-CB 3.41Å; L97-F194 VanDerWaalsContact CD2-CB 3.41Å; L97-F194 HydrophobicContact CD2-CD1 3.87Å; L97-F194 HydrophobicContact CD2-CD2 3.15Å; L97-F194 HydrophobicContact CD2-CE1 4.38Å; L97-F194 HydrophobicContact CD2-CE2 3.71Å; L97-F194 HydrophobicContact CD2-CG 3.22Å; L97-F194 HydrophobicContact CD2-CZ 4.3Å; L97-F194 WeakPolarHBondContact O-CB 3.41Å
98D98.2Very high98.5Very high27 Ų2736.9 Ų36.914%0.14420%0.198CC..  trans-157.299.2179-172.6-10.7000108.8H100 Q101 T105 N195D98-H100 PolarHBondContact O-N 2.77Å; D98-H100 WeakPolarHBondContact OD1-CB 3.39Å; D98-H100 IonicContact OD1-CG 3.75Å; D98-H100 PolarHBondContact OD1-N 3.43Å; D98-H100 VanDerWaalsContact OD1-N 3.08Å; D98-Q101 PolarHBondContact O-N 2.81Å; D98-Q101 VanDerWaalsContact O-N 3.12Å; D98-Q101 PolarHBondContact OD2-NE2 3.23Å; D98-T105 PolarHBondContact O-OG1 2.82Å; D98-N195 WeakPolarHBondContact OD1-CB 3.15Å; D98-N195 PolarHBondContact OD1-ND2 3.19Å; D98-N195 PolarHBondContact OD2-ND2 3.44Å
99D98.4Very high98.5Very high2 Ų234.6 Ų34.61%0.01119%0.186CC..THydrogen-bonded Turntrans-81.62.7-177.1-90.838.8000113V150 P151 V152 Y153 N195 W197D99-V150 HydrophobicContact CB-CG1 4.45Å; D99-V150 WeakPolarHBondContact OD2-CA 3.32Å; D99-P151 WeakPolarHBondContact OD2-CD 3.46Å; D99-V152 WeakPolarHBondContact OD2-CB 3.43Å; D99-V152 PolarHBondContact OD2-N 3.22Å; D99-Y153 WeakPolarHBondContact OD1-CB 3.38Å; D99-Y153 PolarHBondContact OD1-N 3.38Å; D99-N195 PolarHBondContact N-O 3.25Å; D99-W197 HydrophobicContact CB-CB 3.91Å
100H98.6Very high98.5Very high91 Ų9138.4 Ų38.442%0.42120%0.201SC..THydrogen-bonded Turntrans-76.9-25.7161.3-67.6180000111.8D98 N195 S196 D199D98-H100 PolarHBondContact O-N 2.77Å; D98-H100 WeakPolarHBondContact OD1-CB 3.39Å; D98-H100 IonicContact OD1-CG 3.75Å; D98-H100 PolarHBondContact OD1-N 3.43Å; D98-H100 VanDerWaalsContact OD1-N 3.08Å; H100-N195 HydrophobicContact CB-CB 4.3Å; H100-N195 PolarHBondContact ND1-ND2 3.32Å; H100-S196 PolarHBondContact CD2-O 3.48Å; H100-D199 IonicContact CD2-OD1 3.9Å; H100-D199 IonicContact CE1-OD1 3.82Å; H100-D199 PolarHBondContact CE1-OD1 3.3Å; H100-D199 VanDerWaalsContact CE1-OD1 3.22Å; H100-D199 IonicContact NE2-OD1 3.98Å; H100-D199 PolarHBondContact NE2-OD1 3.34Å; H100-D199 IonicContact NE2-OD2 2.65Å
101Q98.6Very high98.5Very high90 Ų9041.1 Ų41.142%0.42122%0.218SC..  trans-103.666.2-178.2-60.3-174.965.400111.1D98 E103 R104 T105D98-Q101 PolarHBondContact O-N 2.81Å; D98-Q101 VanDerWaalsContact O-N 3.12Å; D98-Q101 PolarHBondContact OD2-NE2 3.23Å; Q101-E103 PolarHBondContact O-N 2.87Å; Q101-R104 HydrophobicContact CB-CB 3.89Å; Q101-R104 PolarHBondContact O-N 3.02Å; Q101-T105 WeakPolarHBondContact O-CB 3.27Å; Q101-T105 PolarHBondContact O-N 2.81Å; Q101-T105 PolarHBondContact O-OG1 3.05Å
102I98.8Very high98.5Very high61 Ų6141.1 Ų41.131%0.31322%0.218SC..Hα-helixtrans-52.8-56.7-172-59.1-177.4000111.9R104 T105 I106 V152I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 3.48Å; I102-T105 PolarHBondContact O-N 2.98Å; I102-I106 HydrophobicContact CG2-CD1 3.99Å; I102-I106 WeakPolarHBondContact O-CG1 3.36Å; I102-I106 PolarHBondContact O-N 3.14Å; I102-V152 HydrophobicContact CG1-CG2 4.23Å; I102-V152 HydrophobicContact CG2-CG1 4.07Å; I102-V152 HydrophobicContact CG2-CG2 4.29Å
103E98.8Very high98.5Very high147 Ų14741.5 Ų41.569%0.68722%0.219SC*.Hα-helixtrans-63.6-40.6-177-67.278-175.600111.3Q101 I106 A107Q101-E103 PolarHBondContact O-N 2.87Å; E103-I106 PolarHBondContact O-N 3.23Å; E103-A107 WeakPolarHBondContact O-CB 3.5Å; E103-A107 PolarHBondContact O-N 3.36Å
104R98.7Very high98.6Very high63 Ų6342 Ų4224%0.23822%0.219CC..Hα-helixtrans-67.4-41.7179.7-172.267.2-179.7140-3.2111D65 T67 I96 Q101 I102 A107 V108D65-R104 IonicContact OD1-NH1 2.72Å; D65-R104 IonicContact OD1-NH2 3.32Å; D65-R104 IonicContact OD2-NH2 2.91Å; D65-R104 PolarHBondContact OD2-NH2 3.3Å; T67-R104 PolarHBondContact OG1-NH1 3.28Å; I96-R104 HydrophobicContact CD1-CB 4.14Å; I96-R104 HydrophobicContact CD1-CG 3.58Å; Q101-R104 HydrophobicContact CB-CB 3.89Å; Q101-R104 PolarHBondContact O-N 3.02Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 3.48Å; R104-A107 PolarHBondContact O-N 3.25Å; R104-V108 HydrophobicContact CG-CG2 4.3Å; R104-V108 WeakPolarHBondContact O-CB 3.13Å; R104-V108 WeakPolarHBondContact O-CG2 3.27Å; R104-V108 PolarHBondContact O-N 3.28Å
105T98.8Very high98.6Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-61.9-45.1177.7-72.30000110.3D98 Q101 I102 N109 V152 T156D98-T105 PolarHBondContact O-OG1 2.82Å; Q101-T105 WeakPolarHBondContact O-CB 3.27Å; Q101-T105 PolarHBondContact O-N 2.81Å; Q101-T105 PolarHBondContact O-OG1 3.05Å; I102-T105 PolarHBondContact O-N 2.98Å; T105-N109 WeakPolarHBondContact O-CB 3.44Å; T105-N109 VanDerWaalsContact O-CG 3.25Å; T105-N109 PolarHBondContact O-N 2.95Å; T105-V152 HydrophobicContact CG2-CG1 3.99Å; T105-T156 HydrophobicContact CG2-CG2 4.04Å
106I98.9Very high98.7Very high70 Ų7041.2 Ų41.236%0.35921%0.205SC..Hα-helixtrans-62.7-48174-64.9166.6000111.1I102 E103 V108 Y110 T111 V152 T156I102-I106 HydrophobicContact CG2-CD1 3.99Å; I102-I106 WeakPolarHBondContact O-CG1 3.36Å; I102-I106 PolarHBondContact O-N 3.14Å; E103-I106 PolarHBondContact O-N 3.23Å; I106-V108 PolarHBondContact O-N 3.41Å; I106-Y110 WeakPolarHBondContact O-CB 3.26Å; I106-Y110 PolarHBondContact O-N 2.79Å; I106-T111 PolarHBondContact O-N 2.96Å; I106-V152 HydrophobicContact CD1-CG1 4.41Å; I106-V152 HydrophobicContact CG1-CG1 4.08Å; I106-T156 HydrophobicContact CB-CG2 4.42Å; I106-T156 HydrophobicContact CG1-CG2 4Å
107A98.9Very high98.8Very high28 Ų2839 Ų3923%0.23119%0.194CC..Iπ-helixtrans-64-41.8-175.400000112.5T67 E103 R104 G112T67-A107 HydrophobicContact CG2-CB 3.72Å; E103-A107 WeakPolarHBondContact O-CB 3.5Å; E103-A107 PolarHBondContact O-N 3.36Å; R104-A107 PolarHBondContact O-N 3.25Å; A107-G112 WeakPolarHBondContact O-CA 3.46Å; A107-G112 PolarHBondContact O-N 3.25Å
108V98.8Very high98.8Very high8 Ų841.3 Ų41.35%0.04821%0.208CC..Iπ-helixtrans-77.1-53.6179.3174.90000111.3V66 T67 A94 I96 R104 I106 Y110V66-V108 HydrophobicContact CG2-CB 4.36Å; V66-V108 HydrophobicContact CG2-CG1 4.01Å; V66-V108 HydrophobicContact CG2-CG2 4.46Å; T67-V108 HydrophobicContact CG2-CG2 4Å; A94-V108 HydrophobicContact CB-CG1 4.26Å; I96-V108 HydrophobicContact CD1-CG2 4.48Å; I96-V108 HydrophobicContact CG1-CB 4.3Å; I96-V108 HydrophobicContact CG2-CG1 4.32Å; R104-V108 HydrophobicContact CG-CG2 4.3Å; R104-V108 WeakPolarHBondContact O-CB 3.13Å; R104-V108 WeakPolarHBondContact O-CG2 3.27Å; R104-V108 PolarHBondContact O-N 3.28Å; I106-V108 PolarHBondContact O-N 3.41Å; V108-Y110 PolarHBondContact O-N 2.96Å
109N98.9Very high98.8Very high0 Ų040 Ų400%020%0.201CC..Iπ-helixtrans-75.6-28.4-167.2-63.52.8000112.7G95 I96 T105 Y153 T156 V160G95-N109 WeakPolarHBondContact CA-OD1 3.39Å; I96-N109 PolarHBondContact N-OD1 2.99Å; I96-N109 PolarHBondContact O-ND2 2.88Å; I96-N109 PolarHBondContact O-OD1 3.47Å; T105-N109 WeakPolarHBondContact O-CB 3.44Å; T105-N109 VanDerWaalsContact O-CG 3.25Å; T105-N109 PolarHBondContact O-N 2.95Å; N109-Y153 WeakPolarHBondContact ND2-CD2 3.47Å; N109-T156 HydrophobicContact CB-CG2 4.17Å; N109-T156 VanDerWaalsContact CB-OG1 3.29Å; N109-T156 WeakPolarHBondContact CB-OG1 3.38Å; N109-T156 PolarHBondContact ND2-OG1 3.39Å; N109-T156 VanDerWaalsContact ND2-OG1 3.17Å; N109-V160 VanDerWaalsContact O-CG2 3.25Å; N109-V160 WeakPolarHBondContact O-CG2 3.5Å
110Y98.9Very high98.8Very high81 Ų8139.9 Ų39.932%0.31820%0.201SC..Iπ-helixtrans-119.8-64.1-175.3179-128.5000112.5I106 V108 G112 L113 V114 A159 V160 F163I106-Y110 WeakPolarHBondContact O-CB 3.26Å; I106-Y110 PolarHBondContact O-N 2.79Å; V108-Y110 PolarHBondContact O-N 2.96Å; Y110-G112 VanDerWaalsContact C-N 3.3Å; Y110-G112 PolarHBondContact O-N 3.41Å; Y110-L113 PolarHBondContact O-N 3.2Å; Y110-L113 VanDerWaalsContact O-N 3.16Å; Y110-V114 HydrophobicContact CD2-CG2 3.87Å; Y110-V114 HydrophobicContact CE2-CG2 3.46Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.46Å; Y110-V114 WeakPolarHBondContact O-CG2 3.49Å; Y110-V114 PolarHBondContact O-N 2.97Å; Y110-A159 HydrophobicContact CD1-CB 4.23Å; Y110-A159 HydrophobicContact CD2-CB 3.68Å; Y110-A159 HydrophobicContact CE1-CB 4.26Å; Y110-A159 HydrophobicContact CE2-CB 3.72Å; Y110-A159 HydrophobicContact CG-CB 3.95Å; Y110-V160 HydrophobicContact CD2-CG2 4.3Å; Y110-F163 HydrophobicContact CE2-CB 4.3Å
111T98.9Very high98.9Very high58 Ų5837.1 Ų37.136%0.35619%0.189SC..Iπ-helixtrans-59.6-42.7-173.9-51.70000111.7I106 V114 N115I106-T111 PolarHBondContact O-N 2.96Å; T111-V114 PolarHBondContact O-N 2.96Å; T111-N115 WeakPolarHBondContact O-CB 3.45Å; T111-N115 PolarHBondContact O-N 3.25Å; T111-N115 PolarHBondContact O-OD1 3.4Å
112G98.9Very high98.9Very high0 Ų036.6 Ų36.60%019%0.189CC..Iπ-helixtrans-59.9-47.1177.200000112.3V66 A107 Y110 V114 N115 T116V66-G112 VanDerWaalsContact O-CA 3.22Å; V66-G112 WeakPolarHBondContact O-CA 3.37Å; A107-G112 WeakPolarHBondContact O-CA 3.46Å; A107-G112 PolarHBondContact O-N 3.25Å; Y110-G112 VanDerWaalsContact C-N 3.3Å; Y110-G112 PolarHBondContact O-N 3.41Å; G112-V114 PolarHBondContact O-N 3.09Å; G112-N115 PolarHBondContact O-N 3.43Å; G112-T116 PolarHBondContact O-N 3.05Å; G112-T116 PolarHBondContact O-OG1 2.83Å
113L98.9Very high98.9Very high11 Ų1136 Ų366%0.05818%0.184CC..Hα-helixtrans-60.2-43.3176.1-179.6151.8000112.4N92 Y110 N115 T117 N137 V160 F163N92-L113 HydrophobicContact CB-CD1 3.74Å; N92-L113 HydrophobicContact CB-CG 3.8Å; Y110-L113 PolarHBondContact O-N 3.2Å; Y110-L113 VanDerWaalsContact O-N 3.16Å; L113-N115 VanDerWaalsContact C-N 3.35Å; L113-T117 WeakPolarHBondContact O-CB 3.32Å; L113-T117 PolarHBondContact O-N 2.95Å; L113-T117 PolarHBondContact O-OG1 2.78Å; L113-N137 HydrophobicContact CD1-CB 4.07Å; L113-V160 HydrophobicContact CD1-CG1 3.76Å; L113-V160 HydrophobicContact CD1-CG2 3.97Å; L113-F163 HydrophobicContact CD2-CD1 3.63Å; L113-F163 HydrophobicContact CD2-CE1 3.71Å
114V98.9Very high98.9Very high28 Ų2829 Ų2917%0.1715%0.152CC..Hα-helixtrans-64.1-42.4176173.90000110.5Y110 T111 G112 T117 T118 F163Y110-V114 HydrophobicContact CD2-CG2 3.87Å; Y110-V114 HydrophobicContact CE2-CG2 3.46Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.46Å; Y110-V114 WeakPolarHBondContact O-CG2 3.49Å; Y110-V114 PolarHBondContact O-N 2.97Å; T111-V114 PolarHBondContact O-N 2.96Å; G112-V114 PolarHBondContact O-N 3.09Å; V114-T117 PolarHBondContact O-N 2.65Å; V114-T118 WeakPolarHBondContact O-CB 3.48Å; V114-T118 PolarHBondContact O-N 3.02Å; V114-T118 PolarHBondContact O-OG1 3.35Å; V114-F163 HydrophobicContact CB-CZ 4.29Å; V114-F163 HydrophobicContact CG1-CE2 4.13Å; V114-F163 HydrophobicContact CG1-CZ 4.13Å; V114-F163 HydrophobicContact CG2-CD1 4.11Å; V114-F163 HydrophobicContact CG2-CD2 4.09Å; V114-F163 HydrophobicContact CG2-CE1 4.01Å; V114-F163 HydrophobicContact CG2-CE2 4.02Å; V114-F163 HydrophobicContact CG2-CG 4.14Å; V114-F163 HydrophobicContact CG2-CZ 3.98Å
115N98.9Very high98.9Very high33 Ų3326.3 Ų26.318%0.17614%0.142CC..Hα-helixtrans-65.8-45.3179.1-74.6-5.5000112I70 T111 G112 L113 T117 T118 A119I70-N115 HydrophobicContact CG1-CB 3.75Å; T111-N115 WeakPolarHBondContact O-CB 3.45Å; T111-N115 PolarHBondContact O-N 3.25Å; T111-N115 PolarHBondContact O-OD1 3.4Å; G112-N115 PolarHBondContact O-N 3.43Å; L113-N115 VanDerWaalsContact C-N 3.35Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-T117 PolarHBondContact O-N 2.86Å; N115-T118 PolarHBondContact O-N 2.78Å; N115-A119 WeakPolarHBondContact O-CB 3.36Å; N115-A119 PolarHBondContact O-N 2.94Å
116T98.9Very high98.8Very high1 Ų131.4 Ų31.41%0.00616%0.164CC..Hα-helixtrans-62-42.2176-46.70000111.2V13 Y64 T73 L90 G112 A119 I120V13-T116 HydrophobicContact CG2-CG2 4.21Å; Y64-T116 HydrophobicContact CE1-CG2 4.33Å; Y64-T116 PolarHBondContact OH-OG1 3.15Å; T73-T116 HydrophobicContact CG2-CG2 4.29Å; L90-T116 HydrophobicContact CD1-CG2 4.41Å; L90-T116 HydrophobicContact CD2-CG2 4.2Å; G112-T116 PolarHBondContact O-N 3.05Å; G112-T116 PolarHBondContact O-OG1 2.83Å; T116-A119 PolarHBondContact O-N 3.1Å; T116-I120 PolarHBondContact O-N 3.33Å
117T98.9Very high98.8Very high2 Ų236 Ų361%0.01218%0.177CC..Hα-helixtrans-62.7-43.8175-63.30000111.8N92 L113 V114 N115 A119 I120 L121 I135 F163 L167N92-T117 PolarHBondContact ND2-OG1 3.32Å; L113-T117 WeakPolarHBondContact O-CB 3.32Å; L113-T117 PolarHBondContact O-N 2.95Å; L113-T117 PolarHBondContact O-OG1 2.78Å; V114-T117 PolarHBondContact O-N 2.65Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-T117 PolarHBondContact O-N 2.86Å; T117-A119 VanDerWaalsContact C-N 3.35Å; T117-I120 WeakPolarHBondContact O-CG2 3.41Å; T117-I120 PolarHBondContact O-N 3.46Å; T117-L121 PolarHBondContact O-N 2.85Å; T117-I135 HydrophobicContact CG2-CD1 3.59Å; T117-F163 HydrophobicContact CG2-CE1 4.02Å; T117-F163 HydrophobicContact CG2-CZ 3.88Å; T117-L167 HydrophobicContact CG2-CD1 3.84Å; T117-L167 HydrophobicContact CG2-CD2 4.02Å
118T98.9Very high98.8Very high66 Ų6640.6 Ų40.641%0.40519%0.192SC..Hα-helixtrans-63.7-43.5178.3-58.70000110.7I70 V114 N115 I120 L121I70-T118 HydrophobicContact CD1-CG2 4.04Å; I70-T118 HydrophobicContact CG2-CG2 4.48Å; V114-T118 WeakPolarHBondContact O-CB 3.48Å; V114-T118 PolarHBondContact O-N 3.02Å; V114-T118 PolarHBondContact O-OG1 3.35Å; N115-T118 PolarHBondContact O-N 2.78Å; T118-I120 PolarHBondContact O-N 2.97Å; T118-L121 PolarHBondContact O-N 3.42Å
119A98.9Very high98.8Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-63.3-40.4178.900000112.6I70 T73 T74 L77 N115 T116 T117 L121 D122I70-A119 HydrophobicContact CG2-CB 4.13Å; T73-A119 HydrophobicContact CG2-CB 3.58Å; T74-A119 WeakPolarHBondContact OG1-CB 3.25Å; L77-A119 HydrophobicContact CD1-CB 3.87Å; N115-A119 WeakPolarHBondContact O-CB 3.36Å; N115-A119 PolarHBondContact O-N 2.94Å; T116-A119 PolarHBondContact O-N 3.1Å; T117-A119 VanDerWaalsContact C-N 3.35Å; A119-L121 VanDerWaalsContact C-N 3.3Å; A119-L121 PolarHBondContact O-N 3.15Å; A119-D122 WeakPolarHBondContact O-CB 3.25Å; A119-D122 PolarHBondContact O-N 3.21Å
120I98.9Very high98.7Very high0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-71.4-25.4-179.7-155.2165000112.8L77 F81 L90 T116 T117 T118 D122 F123 W124 I135L77-I120 HydrophobicContact CD1-CB 3.87Å; L77-I120 HydrophobicContact CD1-CG1 4.2Å; F81-I120 HydrophobicContact CE2-CD1 4.33Å; F81-I120 HydrophobicContact CE2-CG1 4.08Å; F81-I120 HydrophobicContact CZ-CD1 4.4Å; F81-I120 HydrophobicContact CZ-CG1 4.16Å; L90-I120 HydrophobicContact CB-CD1 3.9Å; L90-I120 HydrophobicContact CD2-CB 4.23Å; L90-I120 HydrophobicContact CD2-CD1 3.89Å; L90-I120 HydrophobicContact CD2-CG2 3.76Å; L90-I120 HydrophobicContact CG-CD1 4.31Å; T116-I120 PolarHBondContact O-N 3.33Å; T117-I120 WeakPolarHBondContact O-CG2 3.41Å; T117-I120 PolarHBondContact O-N 3.46Å; T118-I120 PolarHBondContact O-N 2.97Å; I120-D122 PolarHBondContact O-N 2.84Å; I120-F123 PolarHBondContact O-N 2.95Å; I120-W124 HydrophobicContact CB-CE3 4.5Å; I120-W124 HydrophobicContact CD1-CD2 4.11Å; I120-W124 HydrophobicContact CD1-CE3 3.96Å; I120-W124 HydrophobicContact CD1-CH2 3.68Å; I120-W124 HydrophobicContact CD1-CZ2 3.83Å; I120-W124 HydrophobicContact CD1-CZ3 3.74Å; I120-W124 HydrophobicContact CG1-CD2 3.94Å; I120-W124 HydrophobicContact CG1-CE3 3.94Å; I120-W124 HydrophobicContact CG1-CG 4.5Å; I120-W124 HydrophobicContact CG1-CZ3 4.23Å; I120-W124 HydrophobicContact CG2-CE3 3.79Å; I120-W124 HydrophobicContact CG2-CZ3 4.05Å; I120-W124 PolarHBondContact O-N 2.96Å; I120-W124 VanDerWaalsContact O-N 3.12Å; I120-I135 HydrophobicContact CG2-CD1 4.34Å
121L98.8Very high98.7Very high32 Ų3245.6 Ų45.617%0.16825%0.25CC..Hα-helixtrans-63.3-21.2175-71.8-152.9000113.1T117 T118 A119 F123 W124 D125 T174 V176T117-L121 PolarHBondContact O-N 2.85Å; T118-L121 PolarHBondContact O-N 3.42Å; A119-L121 VanDerWaalsContact C-N 3.3Å; A119-L121 PolarHBondContact O-N 3.15Å; L121-F123 PolarHBondContact O-N 2.9Å; L121-F123 VanDerWaalsContact O-N 3.13Å; L121-W124 PolarHBondContact O-N 3.3Å; L121-D125 HydrophobicContact CB-CB 4.44Å; L121-D125 WeakPolarHBondContact O-CB 3.41Å; L121-D125 PolarHBondContact O-N 3.46Å; L121-T174 HydrophobicContact CD1-CG2 4.17Å; L121-V176 HydrophobicContact CD2-CB 4.06Å; L121-V176 HydrophobicContact CD2-CG1 4.24Å; L121-V176 HydrophobicContact CD2-CG2 3.55Å
122D98.5Very high98.7Very high80 Ų8043.2 Ų43.243%0.42824%0.237SC..Hα-helixtrans-59.9-24.2172-92.1-13.7000113.2T74 A119 I120 K128T74-D122 HydrophobicContact CG2-CB 4.46Å; A119-D122 WeakPolarHBondContact O-CB 3.25Å; A119-D122 PolarHBondContact O-N 3.21Å; I120-D122 PolarHBondContact O-N 2.84Å; D122-K128 IonicContact OD1-NZ 2.62Å; D122-K128 PolarHBondContact OD1-NZ 3.14Å
123F98.8Very high98.7Very high48 Ų4844 Ų4421%0.21124%0.244CC..Hα-helixtrans-104.7-28.1-179.4-53.3-88.1000112.9T74 L77 K78 F81 I120 L121 P131T74-F123 HydrophobicContact CG2-CE2 4.06Å; T74-F123 HydrophobicContact CG2-CZ 4.09Å; L77-F123 HydrophobicContact CB-CD2 4.28Å; L77-F123 HydrophobicContact CB-CE2 3.6Å; L77-F123 HydrophobicContact CB-CZ 4.05Å; L77-F123 HydrophobicContact CD1-CE2 4.32Å; K78-F123 HydrophobicContact CB-CE1 4.13Å; K78-F123 HydrophobicContact CB-CZ 3.89Å; K78-F123 HydrophobicContact CG-CE1 4.48Å; F81-F123 HydrophobicContact CB-CD1 4.15Å; F81-F123 HydrophobicContact CB-CE1 4.36Å; F81-F123 HydrophobicContact CD1-CB 4.11Å; F81-F123 HydrophobicContact CD1-CD1 4.26Å; F81-F123 HydrophobicContact CD1-CG 4.36Å; F81-F123 HydrophobicContact CD2-CB 4.26Å; F81-F123 AromaticContact CD2-CD1 3.96Å; F81-F123 HydrophobicContact CD2-CD1 3.96Å; F81-F123 HydrophobicContact CD2-CD2 4.2Å; F81-F123 HydrophobicContact CD2-CE1 4.38Å; F81-F123 AromaticContact CD2-CG 3.86Å; F81-F123 HydrophobicContact CD2-CG 3.86Å; F81-F123 HydrophobicContact CE1-CB 3.73Å; F81-F123 HydrophobicContact CE1-CG 4.35Å; F81-F123 HydrophobicContact CE2-CB 3.91Å; F81-F123 HydrophobicContact CE2-CD1 4.42Å; F81-F123 HydrophobicContact CE2-CD2 4.05Å; F81-F123 AromaticContact CE2-CG 3.86Å; F81-F123 HydrophobicContact CE2-CG 3.86Å; F81-F123 HydrophobicContact CG-CB 4.36Å; F81-F123 AromaticContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CD1 3.87Å; F81-F123 HydrophobicContact CG-CE1 4.43Å; F81-F123 HydrophobicContact CG-CG 4.12Å; F81-F123 HydrophobicContact CZ-CB 3.62Å; F81-F123 HydrophobicContact CZ-CG 4.1Å; I120-F123 PolarHBondContact O-N 2.95Å; L121-F123 PolarHBondContact O-N 2.9Å; L121-F123 VanDerWaalsContact O-N 3.13Å; F123-P131 WeakPolarHBondContact O-CD 3.29Å
124W98.8Very high98.7Very high0 Ų044.1 Ų44.10%025%0.245CC..Hα-helixtrans-103.2-21.5-173.3-78.3-14.2000115.4F81 V87 L90 I120 L121 K126 G130 G132 I134 I135 V176F81-W124 AromaticContact CE1-NE1 3.89Å; F81-W124 AromaticContact CZ-CD1 3.99Å; F81-W124 AromaticContact CZ-NE1 3.66Å; V87-W124 HydrophobicContact CB-CZ2 4.02Å; V87-W124 HydrophobicContact CG1-CZ2 3.82Å; V87-W124 VanDerWaalsContact O-CZ2 3.26Å; V87-W124 WeakPolarHBondContact O-CZ2 3.33Å; V87-W124 PolarHBondContact O-NE1 3.06Å; L90-W124 HydrophobicContact CB-CH2 3.77Å; L90-W124 HydrophobicContact CB-CZ3 4.02Å; I120-W124 HydrophobicContact CB-CE3 4.5Å; I120-W124 HydrophobicContact CD1-CD2 4.11Å; I120-W124 HydrophobicContact CD1-CE3 3.96Å; I120-W124 HydrophobicContact CD1-CH2 3.68Å; I120-W124 HydrophobicContact CD1-CZ2 3.83Å; I120-W124 HydrophobicContact CD1-CZ3 3.74Å; I120-W124 HydrophobicContact CG1-CD2 3.94Å; I120-W124 HydrophobicContact CG1-CE3 3.94Å; I120-W124 HydrophobicContact CG1-CG 4.5Å; I120-W124 HydrophobicContact CG1-CZ3 4.23Å; I120-W124 HydrophobicContact CG2-CE3 3.79Å; I120-W124 HydrophobicContact CG2-CZ3 4.05Å; I120-W124 PolarHBondContact O-N 2.96Å; I120-W124 VanDerWaalsContact O-N 3.12Å; L121-W124 PolarHBondContact O-N 3.3Å; W124-K126 PolarHBondContact O-N 3.17Å; W124-K126 VanDerWaalsContact O-N 3.13Å; W124-G130 CarbonylContact O-C 3.59Å; W124-G132 PolarHBondContact NE1-O 3.13Å; W124-G132 VanDerWaalsContact O-CA 3.27Å; W124-G132 WeakPolarHBondContact O-CA 3.2Å; W124-G132 PolarHBondContact O-N 3.12Å; W124-I134 WeakPolarHBondContact CH2-O 3.27Å; W124-I135 HydrophobicContact CZ3-CD1 4.45Å; W124-I135 HydrophobicContact CZ3-CG1 3.8Å; W124-V176 HydrophobicContact CB-CG2 3.7Å; W124-V176 HydrophobicContact CE3-CG1 4.14Å; W124-V176 HydrophobicContact CE3-CG2 4.18Å; W124-V176 HydrophobicContact CZ3-CG1 4.45Å
125D98.8Very high98.7Very high7 Ų742.8 Ų42.84%0.03724%0.237CC..  trans-63.5116.8-173.7-173.2-8.1000112.1L121 R127 K128 G129 G130L121-D125 HydrophobicContact CB-CB 4.44Å; L121-D125 WeakPolarHBondContact O-CB 3.41Å; L121-D125 PolarHBondContact O-N 3.46Å; D125-R127 PolarHBondContact O-N 3.37Å; D125-R127 VanDerWaalsContact O-N 3.14Å; D125-R127 VanDerWaalsContact OD1-CB 3.3Å; D125-R127 WeakPolarHBondContact OD1-CB 3.46Å; D125-R127 VanDerWaalsContact OD1-CG 3.32Å; D125-R127 WeakPolarHBondContact OD1-CG 3.46Å; D125-R127 IonicContact OD1-CZ 2.64Å; D125-R127 PolarHBondContact OD1-N 2.96Å; D125-R127 IonicContact OD1-NE 3.05Å; D125-R127 PolarHBondContact OD1-NE 3.31Å; D125-R127 IonicContact OD1-NH2 3.95Å; D125-R127 IonicContact OD2-CZ 2.96Å; D125-R127 IonicContact OD2-NE 4Å; D125-R127 PolarHBondContact OD2-NE 3.26Å; D125-R127 IonicContact OD2-NH2 3.15Å; D125-R127 PolarHBondContact OD2-NH2 2.87Å; D125-K128 HydrophobicContact CB-CD 4.17Å; D125-K128 HydrophobicContact CB-CG 4.18Å; D125-K128 CarbonylContact O-C 3.54Å; D125-K128 WeakPolarHBondContact O-CA 3.38Å; D125-K128 WeakPolarHBondContact O-CB 3.26Å; D125-K128 PolarHBondContact O-N 3.14Å; D125-G129 PolarHBondContact O-N 2.95Å; D125-G130 PolarHBondContact O-N 3.39Å
126K98.4Very high98.7Very high106 Ų10641.2 Ų41.246%0.46123%0.228SC..G310 helixtrans-60.6-24.9179.975176.4-179.5165.90113.4W124 K128 G129 G130 P172 I173 T174W124-K126 PolarHBondContact O-N 3.17Å; W124-K126 VanDerWaalsContact O-N 3.13Å; K126-K128 PolarHBondContact O-N 3.27Å; K126-G129 PolarHBondContact O-N 3.11Å; K126-G130 WeakPolarHBondContact CA-O 3.4Å; K126-P172 WeakPolarHBondContact CE-O 3.43Å; K126-P172 PolarHBondContact NZ-O 2.93Å; K126-I173 WeakPolarHBondContact CE-O 3.41Å; K126-I173 WeakPolarHBondContact CG-O 3.5Å; K126-T174 PolarHBondContact N-O 3.18Å
127R98.7Very high98.7Very high168 Ų16841.2 Ų41.263%0.63423%0.228SC*.G310 helixtrans-66.2-22.3174.8-57.7174.8-64.71703.2112D125 I173D125-R127 PolarHBondContact O-N 3.37Å; D125-R127 VanDerWaalsContact O-N 3.14Å; D125-R127 VanDerWaalsContact OD1-CB 3.3Å; D125-R127 WeakPolarHBondContact OD1-CB 3.46Å; D125-R127 VanDerWaalsContact OD1-CG 3.32Å; D125-R127 WeakPolarHBondContact OD1-CG 3.46Å; D125-R127 IonicContact OD1-CZ 2.64Å; D125-R127 PolarHBondContact OD1-N 2.96Å; D125-R127 IonicContact OD1-NE 3.05Å; D125-R127 PolarHBondContact OD1-NE 3.31Å; D125-R127 IonicContact OD1-NH2 3.95Å; D125-R127 IonicContact OD2-CZ 2.96Å; D125-R127 IonicContact OD2-NE 4Å; D125-R127 PolarHBondContact OD2-NE 3.26Å; D125-R127 IonicContact OD2-NH2 3.15Å; D125-R127 PolarHBondContact OD2-NH2 2.87Å; R127-I173 WeakPolarHBondContact CG-O 3.49Å
128K98.2Very high98.7Very high124 Ų12442 Ų4254%0.53923%0.232SC..G310 helixtrans-101.110.7175.4-52.4179.177.5-163.70112.1D122 D125 K126 G130D122-K128 IonicContact OD1-NZ 2.62Å; D122-K128 PolarHBondContact OD1-NZ 3.14Å; D125-K128 HydrophobicContact CB-CD 4.17Å; D125-K128 HydrophobicContact CB-CG 4.18Å; D125-K128 CarbonylContact O-C 3.54Å; D125-K128 WeakPolarHBondContact O-CA 3.38Å; D125-K128 WeakPolarHBondContact O-CB 3.26Å; D125-K128 PolarHBondContact O-N 3.14Å; K126-K128 PolarHBondContact O-N 3.27Å; K128-G130 VanDerWaalsContact C-N 3.34Å
129G98.1Very high98.6Very high70 Ų7039 Ų3972%0.72221%0.214SC*.THydrogen-bonded Turntrans79.211.4-17500000114.7D125 K126D125-G129 PolarHBondContact O-N 2.95Å; K126-G129 PolarHBondContact O-N 3.11Å
130G98.5Very high98.6Very high14 Ų1439.4 Ų39.414%0.14422%0.217CC..  trans-69.5157.1175.400000112.9W124 D125 K126 K128 G132W124-G130 CarbonylContact O-C 3.59Å; D125-G130 PolarHBondContact O-N 3.39Å; K126-G130 WeakPolarHBondContact CA-O 3.4Å; K128-G130 VanDerWaalsContact C-N 3.34Å; G130-G132 PolarHBondContact O-N 2.98Å
131P98.3Very high98.6Very high110 Ų11041.2 Ų41.271%0.71423%0.228SC*.  trans-79.1-1.8-175.632.7-36.3000114.2F123F123-P131 WeakPolarHBondContact O-CD 3.29Å
132G98.6Very high98.6Very high8 Ų840 Ų408%0.08222%0.222CC..  trans76.9-171.4-163.800000112.7W124 G130 G175W124-G132 PolarHBondContact NE1-O 3.13Å; W124-G132 VanDerWaalsContact O-CA 3.27Å; W124-G132 WeakPolarHBondContact O-CA 3.2Å; W124-G132 PolarHBondContact O-N 3.12Å; G130-G132 PolarHBondContact O-N 2.98Å; G132-G175 WeakPolarHBondContact CA-O 3.29Å
133G98.6Very high98.6Very high15 Ų1536.9 Ų36.916%0.15521%0.209CC..EExtended strand (participates in β ladder)trans177-178.2-177.600000113.7G175 V176 T177G133-G175 PolarHBondContact N-O 3.47Å; G133-V176 WeakPolarHBondContact O-CA 3.25Å; G133-T177 PolarHBondContact O-N 2.89Å; G133-T177 PolarHBondContact O-OG1 3.4Å
134I98.9Very high98.5Very high15 Ų1538.3 Ų38.38%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-122128.3179.1-58.7163.1000109.4F3 D88 V89 L90 W124 Y179 N230F3-I134 HydrophobicContact CD2-CD1 3.9Å; F3-I134 HydrophobicContact CE2-CD1 3.38Å; F3-I134 HydrophobicContact CZ-CD1 3.74Å; D88-I134 PolarHBondContact O-N 2.77Å; D88-I134 VanDerWaalsContact O-N 3.16Å; V89-I134 WeakPolarHBondContact CA-O 3.33Å; V89-I134 HydrophobicContact CG1-CG2 4.45Å; V89-I134 HydrophobicContact CG2-CB 4.29Å; V89-I134 HydrophobicContact CG2-CD1 4.32Å; L90-I134 PolarHBondContact N-O 3.2Å; W124-I134 WeakPolarHBondContact CH2-O 3.27Å; I134-Y179 HydrophobicContact CG2-CE1 3.68Å; I134-N230 WeakPolarHBondContact CD1-OD1 3.36Å
135I98.9Very high98.5Very high0 Ų044.8 Ų44.80%025%0.249CC..EExtended strand (participates in β ladder)trans-110.9122.8172.5-63179.8000109.8L90 T117 I120 W124 N137 L167 V176 T177 A178 Y179L90-I135 HydrophobicContact CB-CG1 4.5Å; L90-I135 WeakPolarHBondContact O-CA 3.31Å; T117-I135 HydrophobicContact CG2-CD1 3.59Å; I120-I135 HydrophobicContact CG2-CD1 4.34Å; W124-I135 HydrophobicContact CZ3-CD1 4.45Å; W124-I135 HydrophobicContact CZ3-CG1 3.8Å; I135-N137 VanDerWaalsContact CG2-OD1 3.26Å; I135-N137 WeakPolarHBondContact CG2-OD1 3.45Å; I135-L167 HydrophobicContact CD1-CD1 4.45Å; I135-V176 HydrophobicContact CD1-CG1 3.72Å; I135-V176 HydrophobicContact CG1-CG1 3.8Å; I135-T177 PolarHBondContact N-O 3Å; I135-A178 HydrophobicContact CB-CB 4.08Å; I135-A178 WeakPolarHBondContact O-CA 3.3Å; I135-Y179 PolarHBondContact O-N 2.86Å; I135-Y179 VanDerWaalsContact O-N 3.1Å
136C98.8Very high98.5Very high0 Ų047.3 Ų47.30%027%0.271CS..EExtended strand (participates in β ladder)trans-107.9113.5167.9178.10000109.2L90 I91 N92 Y179 F223L90-C136 PolarHBondContact O-N 3.19Å; I91-C136 CarbonylContact C-O 3.54Å; I91-C136 VanDerWaalsContact CA-O 3.3Å; I91-C136 WeakPolarHBondContact CA-O 3.14Å; I91-C136 HydrophobicContact CG1-CB 4.29Å; I91-C136 HydrophobicContact CG2-CB 4.46Å; N92-C136 PolarHBondContact N-O 3.31Å; C136-Y179 HydrophobicContact CB-CD2 4.35Å; C136-Y179 HydrophobicContact CB-CE2 3.68Å; C136-F223 WeakPolarHBondContact SG-CE1 3.22Å; C136-F223 VanDerWaalsContact SG-CZ 3.57Å
137N98.9Very high98.5Very high0 Ų043.5 Ų43.50%026%0.256CS..EExtended strand (participates in β ladder)trans-98.9128.9177.6-72.4-27.7000110.7N92 L113 I135 G139 V160 T164 Y179 T180 V181N92-N137 WeakPolarHBondContact CB-OD1 3.28Å; N92-N137 PolarHBondContact ND2-OD1 3.36Å; L113-N137 HydrophobicContact CD1-CB 4.07Å; I135-N137 VanDerWaalsContact CG2-OD1 3.26Å; I135-N137 WeakPolarHBondContact CG2-OD1 3.45Å; N137-G139 PolarHBondContact O-N 3.34Å; N137-V160 HydrophobicContact CB-CG1 4.04Å; N137-T164 HydrophobicContact CB-CG2 4.3Å; N137-T164 WeakPolarHBondContact CB-OG1 2.93Å; N137-T164 PolarHBondContact ND2-OG1 3.22Å; N137-Y179 PolarHBondContact N-O 3.49Å; N137-Y179 VanDerWaalsContact N-O 3.09Å; N137-T180 HydrophobicContact CB-CG2 4.43Å; N137-T180 WeakPolarHBondContact O-CA 3.34Å; N137-V181 PolarHBondContact O-N 3.3Å
138I98.8Very high98.5Very high19 Ų1943.9 Ų43.910%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-82.397.6173.7-50.6-168.9000109.2F12 I91 N92 K157 V181 P183 F223F12-I138 HydrophobicContact CE1-CD1 3.91Å; F12-I138 HydrophobicContact CZ-CD1 4.07Å; I91-I138 HydrophobicContact CG2-CD1 4.22Å; I91-I138 HydrophobicContact CG2-CG1 4.22Å; N92-I138 WeakPolarHBondContact O-CG1 3.22Å; N92-I138 PolarHBondContact O-N 3.24Å; I138-K157 PolarHBondContact O-NZ 2.92Å; I138-V181 CarbonylContact C-O 3.13Å; I138-P183 HydrophobicContact CG2-CG 4.47Å; I138-F223 HydrophobicContact CD1-CE2 3.45Å; I138-F223 VanDerWaalsContact CD1-CE2 3.45Å; I138-F223 HydrophobicContact CD1-CZ 3.7Å; I138-F223 HydrophobicContact CG1-CE2 3.58Å; I138-F223 HydrophobicContact CG1-CZ 3.62Å; I138-F223 HydrophobicContact CG2-CE2 4.48Å
139G98.2Very high98.5Very high3 Ų339.2 Ų39.23%0.03124%0.238CC..  trans-80-138.117100000111.9N137 K157 V181 N182N137-G139 PolarHBondContact O-N 3.34Å; G139-K157 PolarHBondContact O-NZ 2.83Å; G139-V181 PolarHBondContact N-O 2.65Å; G139-N182 WeakPolarHBondContact CA-OD1 3.34Å
140S98.6Very high98.5Very high9 Ų935.9 Ų35.96%0.06320%0.204CC..  trans-173.4150.3177.9171.70000108.5T142 G143 N182S140-T142 VanDerWaalsContact CB-OG1 3.31Å; S140-T142 WeakPolarHBondContact CB-OG1 3.41Å; S140-T142 PolarHBondContact O-N 3.18Å; S140-T142 VanDerWaalsContact O-N 3.12Å; S140-T142 WeakPolarHBondContact OG-CB 3.36Å; S140-T142 WeakPolarHBondContact OG-CG2 3.26Å; S140-T142 PolarHBondContact OG-N 3.07Å; S140-T142 PolarHBondContact OG-OG1 3.45Å; S140-G143 PolarHBondContact O-N 3.43Å; S140-N182 PolarHBondContact N-OD1 2.83Å
141V98.6Very high98.5Very high38 Ų3837.5 Ų37.523%0.2321%0.212CC..G310 helixtrans-58.4-22.3169.3-64.20000112.8G143 F144 N145 P183 K237V141-G143 PolarHBondContact O-N 3.02Å; V141-F144 HydrophobicContact CB-CD2 4.39Å; V141-F144 HydrophobicContact CG1-CE2 4.43Å; V141-F144 PolarHBondContact O-N 2.85Å; V141-N145 PolarHBondContact O-N 3.37Å; V141-P183 PolarHBondContact N-O 3.15Å; V141-K237 HydrophobicContact CG1-CD 4.13Å; V141-K237 HydrophobicContact CG1-CG 3.81Å
142T98.5Very high98.6Very high6 Ų633.4 Ų33.44%0.03719%0.185CC..G310 helixtrans-64.7-18.5173.965.20000113.4S140 F144 N145 I147 Y153S140-T142 VanDerWaalsContact CB-OG1 3.31Å; S140-T142 WeakPolarHBondContact CB-OG1 3.41Å; S140-T142 PolarHBondContact O-N 3.18Å; S140-T142 VanDerWaalsContact O-N 3.12Å; S140-T142 WeakPolarHBondContact OG-CB 3.36Å; S140-T142 WeakPolarHBondContact OG-CG2 3.26Å; S140-T142 PolarHBondContact OG-N 3.07Å; S140-T142 PolarHBondContact OG-OG1 3.45Å; T142-F144 VanDerWaalsContact C-N 3.27Å; T142-N145 WeakPolarHBondContact CA-O 3.47Å; T142-N145 CarbonylContact O-C 3.33Å; T142-I147 HydrophobicContact CG2-CB 4.46Å; T142-I147 HydrophobicContact CG2-CD1 3.54Å; T142-I147 HydrophobicContact CG2-CG1 3.77Å; T142-Y153 HydrophobicContact CG2-CD1 4.48Å; T142-Y153 HydrophobicContact CG2-CE1 4.05Å; T142-Y153 WeakPolarHBondContact OG1-CE1 3.38Å
143G98.1Very high98.6Very high14 Ų1434.1 Ų34.114%0.14419%0.185CC..G310 helixtrans-74.8-14.7172.400000113.9S140 V141S140-G143 PolarHBondContact O-N 3.43Å; V141-G143 PolarHBondContact O-N 3.02Å
144F98.3Very high98.6Very high79 Ų7933.5 Ų33.535%0.34618%0.179SC..THydrogen-bonded Turntrans-95-47.9173.3-46.6-40.2000111V141 T142 V161 N182 I235V141-F144 HydrophobicContact CB-CD2 4.39Å; V141-F144 HydrophobicContact CG1-CE2 4.43Å; V141-F144 PolarHBondContact O-N 2.85Å; T142-F144 VanDerWaalsContact C-N 3.27Å; F144-V161 HydrophobicContact CD1-CG1 4.43Å; F144-V161 HydrophobicContact CE1-CG1 3.96Å; F144-V161 HydrophobicContact CE1-CG2 3.97Å; F144-N182 HydrophobicContact CE2-CB 3.85Å; F144-N182 HydrophobicContact CZ-CB 3.65Å; F144-N182 VanDerWaalsContact CZ-CG 3.44Å; F144-I235 HydrophobicContact CE1-CG2 3.51Å; F144-I235 HydrophobicContact CZ-CG2 3.41Å; F144-I235 VanDerWaalsContact CZ-CG2 3.41Å
145N98.2Very high98.6Very high135 Ų13534.8 Ų34.872%0.72220%0.195SC*.SBendtrans-138.5116.9178.8-63.2100.7000108.3V141 T142V141-N145 PolarHBondContact O-N 3.37Å; T142-N145 WeakPolarHBondContact CA-O 3.47Å; T142-N145 CarbonylContact O-C 3.33Å
146A98.4Very high98.6Very high60 Ų6035.1 Ų35.150%0.49620%0.197SC..  trans-64.3145.9-173.200000112.5Y148A146-Y148 PolarHBondContact O-N 3.32Å
147I98.3Very high98.6Very high26 Ų2635.6 Ų35.613%0.13320%0.2CC..  trans-79.7102.4153-63.2166.5000104.6T142 Q149 V150 S154 I185 V204 L208T142-I147 HydrophobicContact CG2-CB 4.46Å; T142-I147 HydrophobicContact CG2-CD1 3.54Å; T142-I147 HydrophobicContact CG2-CG1 3.77Å; I147-Q149 HydrophobicContact CG2-CB 4.47Å; I147-Q149 VanDerWaalsContact CG2-OE1 3.31Å; I147-Q149 PolarHBondContact O-N 3.13Å; I147-Q149 VanDerWaalsContact O-N 3.09Å; I147-V150 HydrophobicContact CB-CG2 3.73Å; I147-V150 HydrophobicContact CG2-CG2 3.75Å; I147-V150 CarbonylContact O-C 3.56Å; I147-V150 PolarHBondContact O-N 3.12Å; I147-S154 PolarHBondContact N-OG 3.13Å; I147-S154 PolarHBondContact O-OG 3.05Å; I147-I185 HydrophobicContact CD1-CD1 4.16Å; I147-V204 HydrophobicContact CG2-CG1 3.92Å; I147-L208 HydrophobicContact CD1-CD1 3.89Å; I147-L208 HydrophobicContact CD1-CD2 4.01Å; I147-L208 HydrophobicContact CG1-CD2 4.5Å
148Y98.3Very high98.6Very high177 Ų17737.5 Ų37.569%0.69422%0.215SC*.THydrogen-bonded Turntrans-65.2-15.9-167.960.3-95.7000113.8A146 V150 P151A146-Y148 PolarHBondContact O-N 3.32Å; Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-P151 WeakPolarHBondContact O-CD 3.3Å
149Q98.6Very high98.6Very high25 Ų2537.9 Ų37.912%0.11722%0.222CC..THydrogen-bonded Turntrans-76.1-20172.7-57.792-31.100113.2I147 P151 S196 W197 V200 E201 V204I147-Q149 HydrophobicContact CG2-CB 4.47Å; I147-Q149 VanDerWaalsContact CG2-OE1 3.31Å; I147-Q149 PolarHBondContact O-N 3.13Å; I147-Q149 VanDerWaalsContact O-N 3.09Å; Q149-P151 WeakPolarHBondContact O-CD 3.44Å; Q149-S196 WeakPolarHBondContact O-CA 3.35Å; Q149-S196 VanDerWaalsContact O-CB 3.26Å; Q149-S196 WeakPolarHBondContact O-CB 3.42Å; Q149-W197 PolarHBondContact O-N 3.01Å; Q149-V200 HydrophobicContact CB-CG2 4.25Å; Q149-E201 HydrophobicContact CB-CB 4.04Å; Q149-E201 HydrophobicContact CG-CB 3.59Å; Q149-E201 HydrophobicContact CG-CG 4.03Å; Q149-V204 HydrophobicContact CB-CG1 4.31Å; Q149-V204 HydrophobicContact CB-CG2 3.64Å; Q149-V204 HydrophobicContact CG-CG2 4.25Å
150V98.6Very high98.6Very high0 Ų037.8 Ų37.80%022%0.22CC..SBendtrans-123.262.7173-68.70000110.2L97 D99 I147 Y148 V152 Y153 S154 F194L97-V150 HydrophobicContact CD2-CG1 4.09Å; D99-V150 HydrophobicContact CB-CG1 4.45Å; D99-V150 WeakPolarHBondContact OD2-CA 3.32Å; I147-V150 HydrophobicContact CB-CG2 3.73Å; I147-V150 HydrophobicContact CG2-CG2 3.75Å; I147-V150 CarbonylContact O-C 3.56Å; I147-V150 PolarHBondContact O-N 3.12Å; Y148-V150 VanDerWaalsContact C-N 3.33Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 PolarHBondContact O-N 2.94Å; V150-Y153 HydrophobicContact CG2-CD1 4.28Å; V150-S154 WeakPolarHBondContact O-CB 3.29Å; V150-S154 PolarHBondContact O-N 3.46Å; V150-S154 PolarHBondContact O-OG 3.06Å; V150-F194 HydrophobicContact CG1-CD2 3.95Å; V150-F194 HydrophobicContact CG1-CE2 3.79Å
151P98.8Very high98.6Very high48 Ų4838.2 Ų38.231%0.31222%0.222SC..Hα-helixtrans-64.4-32.3-17428.7-36.6000113.2D99 Y148 Q149 G155 W197D99-P151 WeakPolarHBondContact OD2-CD 3.46Å; Y148-P151 WeakPolarHBondContact O-CD 3.3Å; Q149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-G155 PolarHBondContact O-N 3.34Å; P151-W197 HydrophobicContact CG-CB 3.7Å; P151-W197 HydrophobicContact CG-CD2 3.96Å; P151-W197 HydrophobicContact CG-CE3 3.97Å; P151-W197 HydrophobicContact CG-CG 3.88Å
152V98.8Very high98.6Very high25 Ų2541.6 Ų41.615%0.15224%0.239CC..Hα-helixtrans-69.8-52.5178.7-176.20000109.3D99 I102 T105 I106 V150 S154 G155 T156D99-V152 WeakPolarHBondContact OD2-CB 3.43Å; D99-V152 PolarHBondContact OD2-N 3.22Å; I102-V152 HydrophobicContact CG1-CG2 4.23Å; I102-V152 HydrophobicContact CG2-CG1 4.07Å; I102-V152 HydrophobicContact CG2-CG2 4.29Å; T105-V152 HydrophobicContact CG2-CG1 3.99Å; I106-V152 HydrophobicContact CD1-CG1 4.41Å; I106-V152 HydrophobicContact CG1-CG1 4.08Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 PolarHBondContact O-N 2.94Å; V152-S154 VanDerWaalsContact C-N 3.34Å; V152-S154 PolarHBondContact O-N 3.35Å; V152-G155 PolarHBondContact O-N 3.26Å; V152-T156 WeakPolarHBondContact O-CG2 3.16Å; V152-T156 PolarHBondContact O-N 2.96Å
153Y98.8Very high98.7Very high22 Ų2243.2 Ų43.29%0.08625%0.246CC..Hα-helixtrans-51.8-52.1173174.4-97.9000112I96 L97 D99 N109 T142 V150 G155 T156 K157I96-Y153 VanDerWaalsContact O-CD2 3.22Å; I96-Y153 WeakPolarHBondContact O-CD2 3.44Å; I96-Y153 WeakPolarHBondContact O-CE2 3.29Å; L97-Y153 HydrophobicContact CB-CD2 3.86Å; L97-Y153 HydrophobicContact CB-CE2 3.93Å; L97-Y153 HydrophobicContact CB-CG 4.46Å; L97-Y153 HydrophobicContact CD1-CD1 4.1Å; L97-Y153 HydrophobicContact CD1-CD2 4.2Å; L97-Y153 HydrophobicContact CD1-CE1 3.95Å; L97-Y153 HydrophobicContact CD1-CE2 4.04Å; L97-Y153 HydrophobicContact CD1-CG 4.22Å; L97-Y153 HydrophobicContact CG-CD1 4.15Å; L97-Y153 HydrophobicContact CG-CD2 3.68Å; L97-Y153 HydrophobicContact CG-CE1 4.4Å; L97-Y153 HydrophobicContact CG-CE2 3.94Å; L97-Y153 HydrophobicContact CG-CG 3.79Å; D99-Y153 WeakPolarHBondContact OD1-CB 3.38Å; D99-Y153 PolarHBondContact OD1-N 3.38Å; N109-Y153 WeakPolarHBondContact ND2-CD2 3.47Å; T142-Y153 HydrophobicContact CG2-CD1 4.48Å; T142-Y153 HydrophobicContact CG2-CE1 4.05Å; T142-Y153 WeakPolarHBondContact OG1-CE1 3.38Å; V150-Y153 HydrophobicContact CG2-CD1 4.28Å; Y153-G155 VanDerWaalsContact C-N 3.32Å; Y153-G155 PolarHBondContact O-N 3.26Å; Y153-T156 PolarHBondContact O-N 3.29Å; Y153-T156 PolarHBondContact O-OG1 3.09Å; Y153-K157 HydrophobicContact CE1-CG 4.04Å; Y153-K157 HydrophobicContact CE2-CG 4.24Å; Y153-K157 PolarHBondContact O-N 3.48Å; Y153-K157 VanDerWaalsContact O-N 3.11Å
154S98.8Very high98.7Very high3 Ų342.6 Ų42.62%0.02124%0.24CC..Hα-helixtrans-60.4-41.6-179.4-59.70000111.8I147 V150 V152 T156 K157 A158I147-S154 PolarHBondContact N-OG 3.13Å; I147-S154 PolarHBondContact O-OG 3.05Å; V150-S154 WeakPolarHBondContact O-CB 3.29Å; V150-S154 PolarHBondContact O-N 3.46Å; V150-S154 PolarHBondContact O-OG 3.06Å; V152-S154 VanDerWaalsContact C-N 3.34Å; V152-S154 PolarHBondContact O-N 3.35Å; S154-T156 PolarHBondContact O-N 2.98Å; S154-K157 PolarHBondContact O-N 3.07Å; S154-A158 PolarHBondContact O-N 3.04Å
155G98.9Very high98.7Very high41 Ų4140.7 Ų40.742%0.42324%0.236SC..Hα-helixtrans-60-43.4174.900000112.9P151 V152 Y153 K157 A158 A159P151-G155 PolarHBondContact O-N 3.34Å; V152-G155 PolarHBondContact O-N 3.26Å; Y153-G155 VanDerWaalsContact C-N 3.32Å; Y153-G155 PolarHBondContact O-N 3.26Å; G155-K157 VanDerWaalsContact C-N 3.3Å; G155-K157 PolarHBondContact O-N 3.15Å; G155-A158 PolarHBondContact O-N 3.49Å; G155-A159 PolarHBondContact O-N 2.99Å
156T98.9Very high98.8Very high7 Ų736.7 Ų36.74%0.04322%0.218CC..Hα-helixtrans-62.1-38.6175.566.90000112.2T105 I106 N109 V152 Y153 S154 A159 V160T105-T156 HydrophobicContact CG2-CG2 4.04Å; I106-T156 HydrophobicContact CB-CG2 4.42Å; I106-T156 HydrophobicContact CG1-CG2 4Å; N109-T156 HydrophobicContact CB-CG2 4.17Å; N109-T156 VanDerWaalsContact CB-OG1 3.29Å; N109-T156 WeakPolarHBondContact CB-OG1 3.38Å; N109-T156 PolarHBondContact ND2-OG1 3.39Å; N109-T156 VanDerWaalsContact ND2-OG1 3.17Å; V152-T156 WeakPolarHBondContact O-CG2 3.16Å; V152-T156 PolarHBondContact O-N 2.96Å; Y153-T156 PolarHBondContact O-N 3.29Å; Y153-T156 PolarHBondContact O-OG1 3.09Å; S154-T156 PolarHBondContact O-N 2.98Å; T156-A159 WeakPolarHBondContact O-CB 3.29Å; T156-A159 PolarHBondContact O-N 3.07Å; T156-V160 WeakPolarHBondContact O-CG2 3.36Å; T156-V160 PolarHBondContact O-N 2.81Å
157K98.8Very high98.8Very high10 Ų1034.8 Ų34.84%0.04320%0.2CC..Hα-helixtrans-72.3-34.6178.9-66.9-58.6-168.2177.80112.5I138 G139 Y153 S154 G155 A159 V160 V161I138-K157 PolarHBondContact O-NZ 2.92Å; G139-K157 PolarHBondContact O-NZ 2.83Å; Y153-K157 HydrophobicContact CE1-CG 4.04Å; Y153-K157 HydrophobicContact CE2-CG 4.24Å; Y153-K157 PolarHBondContact O-N 3.48Å; Y153-K157 VanDerWaalsContact O-N 3.11Å; S154-K157 PolarHBondContact O-N 3.07Å; G155-K157 VanDerWaalsContact C-N 3.3Å; G155-K157 PolarHBondContact O-N 3.15Å; K157-A159 VanDerWaalsContact C-N 3.32Å; K157-V160 PolarHBondContact O-N 3.23Å; K157-V161 WeakPolarHBondContact O-CG2 3.31Å; K157-V161 PolarHBondContact O-N 2.94Å; K157-V161 VanDerWaalsContact O-N 3.09Å
158A98.9Very high98.8Very high40 Ų4033.8 Ų33.833%0.33120%0.196SC..Hα-helixtrans-61.9-41.417000000111.6S154 G155 V160 V161 N162S154-A158 PolarHBondContact O-N 3.04Å; G155-A158 PolarHBondContact O-N 3.49Å; A158-V160 PolarHBondContact O-N 3.21Å; A158-V161 PolarHBondContact O-N 3.25Å; A158-N162 PolarHBondContact O-N 3.17Å
159A98.9Very high98.8Very high28 Ų2832.9 Ų32.923%0.23120%0.195CC..Hα-helixtrans-61.4-4317600000112.2Y110 G155 T156 K157 V161 N162 F163Y110-A159 HydrophobicContact CD1-CB 4.23Å; Y110-A159 HydrophobicContact CD2-CB 3.68Å; Y110-A159 HydrophobicContact CE1-CB 4.26Å; Y110-A159 HydrophobicContact CE2-CB 3.72Å; Y110-A159 HydrophobicContact CG-CB 3.95Å; G155-A159 PolarHBondContact O-N 2.99Å; T156-A159 WeakPolarHBondContact O-CB 3.29Å; T156-A159 PolarHBondContact O-N 3.07Å; K157-A159 VanDerWaalsContact C-N 3.32Å; A159-V161 PolarHBondContact O-N 3.45Å; A159-N162 PolarHBondContact O-N 3.38Å; A159-F163 VanDerWaalsContact O-CB 3.24Å; A159-F163 WeakPolarHBondContact O-CB 3.44Å; A159-F163 PolarHBondContact O-N 3.31Å
160V98.9Very high98.9Very high0 Ų035.3 Ų35.30%021%0.209CC..Hα-helixtrans-61.2-43.1175.3171.80000112N109 Y110 L113 N137 T156 K157 A158 N162 T164N109-V160 VanDerWaalsContact O-CG2 3.25Å; N109-V160 WeakPolarHBondContact O-CG2 3.5Å; Y110-V160 HydrophobicContact CD2-CG2 4.3Å; L113-V160 HydrophobicContact CD1-CG1 3.76Å; L113-V160 HydrophobicContact CD1-CG2 3.97Å; N137-V160 HydrophobicContact CB-CG1 4.04Å; T156-V160 WeakPolarHBondContact O-CG2 3.36Å; T156-V160 PolarHBondContact O-N 2.81Å; K157-V160 PolarHBondContact O-N 3.23Å; A158-V160 PolarHBondContact O-N 3.21Å; V160-N162 PolarHBondContact O-N 2.88Å; V160-T164 WeakPolarHBondContact O-CB 3.42Å; V160-T164 PolarHBondContact O-N 3.01Å; V160-T164 PolarHBondContact O-OG1 2.78Å
161V98.8Very high98.9Very high18 Ų1835.9 Ų35.911%0.10921%0.213CC..Hα-helixtrans-59-48.7176.8171.80000110.9F144 K157 A158 A159 T164 S165 N182F144-V161 HydrophobicContact CD1-CG1 4.43Å; F144-V161 HydrophobicContact CE1-CG1 3.96Å; F144-V161 HydrophobicContact CE1-CG2 3.97Å; K157-V161 WeakPolarHBondContact O-CG2 3.31Å; K157-V161 PolarHBondContact O-N 2.94Å; K157-V161 VanDerWaalsContact O-N 3.09Å; A158-V161 PolarHBondContact O-N 3.25Å; A159-V161 PolarHBondContact O-N 3.45Å; V161-T164 PolarHBondContact O-N 3.48Å; V161-S165 PolarHBondContact O-N 3.02Å; V161-S165 VanDerWaalsContact O-N 3.07Å; V161-N182 WeakPolarHBondContact CG2-OD1 3.48Å
162N98.9Very high98.9Very high110 Ų11038.2 Ų38.259%0.58823%0.229SC*.Hα-helixtrans-66.9-45.4-179.4-166.8-65.9000112.4A158 A159 V160 T164 S165 S166A158-N162 PolarHBondContact O-N 3.17Å; A159-N162 PolarHBondContact O-N 3.38Å; V160-N162 PolarHBondContact O-N 2.88Å; N162-T164 VanDerWaalsContact C-N 3.29Å; N162-T164 PolarHBondContact O-N 3.2Å; N162-S165 WeakPolarHBondContact O-CB 3.38Å; N162-S165 PolarHBondContact O-N 3.47Å; N162-S166 PolarHBondContact O-N 2.83Å; N162-S166 PolarHBondContact O-OG 3.5Å
163F98.9Very high98.9Very high39 Ų3941.1 Ų41.117%0.17124%0.242CC..Hα-helixtrans-55.4-46.4176.4175.7-111.3000111.3Y110 L113 V114 T117 A159 S165 S166 L167Y110-F163 HydrophobicContact CE2-CB 4.3Å; L113-F163 HydrophobicContact CD2-CD1 3.63Å; L113-F163 HydrophobicContact CD2-CE1 3.71Å; V114-F163 HydrophobicContact CB-CZ 4.29Å; V114-F163 HydrophobicContact CG1-CE2 4.13Å; V114-F163 HydrophobicContact CG1-CZ 4.13Å; V114-F163 HydrophobicContact CG2-CD1 4.11Å; V114-F163 HydrophobicContact CG2-CD2 4.09Å; V114-F163 HydrophobicContact CG2-CE1 4.01Å; V114-F163 HydrophobicContact CG2-CE2 4.02Å; V114-F163 HydrophobicContact CG2-CG 4.14Å; V114-F163 HydrophobicContact CG2-CZ 3.98Å; T117-F163 HydrophobicContact CG2-CE1 4.02Å; T117-F163 HydrophobicContact CG2-CZ 3.88Å; A159-F163 VanDerWaalsContact O-CB 3.24Å; A159-F163 WeakPolarHBondContact O-CB 3.44Å; A159-F163 PolarHBondContact O-N 3.31Å; F163-S165 PolarHBondContact O-N 3Å; F163-S166 WeakPolarHBondContact O-CB 3.47Å; F163-S166 PolarHBondContact O-N 2.64Å; F163-S166 VanDerWaalsContact O-N 3.15Å; F163-L167 HydrophobicContact CD1-CD1 4.02Å; F163-L167 HydrophobicContact CD1-CG 4.41Å; F163-L167 HydrophobicContact CE1-CD1 3.57Å; F163-L167 HydrophobicContact CE1-CD2 4.38Å; F163-L167 HydrophobicContact CE1-CG 4.07Å; F163-L167 HydrophobicContact CE2-CD2 4.28Å; F163-L167 HydrophobicContact CE2-CG 4.44Å; F163-L167 HydrophobicContact CZ-CD1 3.99Å; F163-L167 HydrophobicContact CZ-CD2 3.93Å; F163-L167 HydrophobicContact CZ-CG 4.08Å; F163-L167 PolarHBondContact O-N 2.91Å
164T98.9Very high98.9Very high2 Ų240.6 Ų40.61%0.01224%0.241CC..Hα-helixtrans-68.3-37.1-179.3-49.10000112.7N137 V160 V161 N162 S166 L167 A168 A178 Y179 T180N137-T164 HydrophobicContact CB-CG2 4.3Å; N137-T164 WeakPolarHBondContact CB-OG1 2.93Å; N137-T164 PolarHBondContact ND2-OG1 3.22Å; V160-T164 WeakPolarHBondContact O-CB 3.42Å; V160-T164 PolarHBondContact O-N 3.01Å; V160-T164 PolarHBondContact O-OG1 2.78Å; V161-T164 PolarHBondContact O-N 3.48Å; N162-T164 VanDerWaalsContact C-N 3.29Å; N162-T164 PolarHBondContact O-N 3.2Å; T164-S166 PolarHBondContact O-N 3.02Å; T164-L167 PolarHBondContact O-N 2.86Å; T164-A168 PolarHBondContact O-N 2.86Å; T164-A178 HydrophobicContact CG2-CB 3.91Å; T164-Y179 VanDerWaalsContact CG2-C 3.48Å; T164-Y179 WeakPolarHBondContact CG2-O 3.46Å; T164-T180 HydrophobicContact CG2-CG2 3.35Å; T164-T180 VanDerWaalsContact OG1-CG2 3.26Å; T164-T180 WeakPolarHBondContact OG1-CG2 3.44Å
165S98.8Very high98.9Very high39 Ų3941.7 Ų41.727%0.27325%0.253SS..Hα-helixtrans-59-39.3171.9-1730000111.4V161 N162 F163 K169V161-S165 PolarHBondContact O-N 3.02Å; V161-S165 VanDerWaalsContact O-N 3.07Å; N162-S165 WeakPolarHBondContact O-CB 3.38Å; N162-S165 PolarHBondContact O-N 3.47Å; F163-S165 PolarHBondContact O-N 3Å; S165-K169 WeakPolarHBondContact O-CG 3.46Å; S165-K169 PolarHBondContact O-N 2.69Å
166S98.9Very high98.9Very high50 Ų5040 Ų4035%0.3523%0.234SC..Hα-helixtrans-67-44.7175.5-62.20000111.9N162 F163 T164 A168 K169 L170N162-S166 PolarHBondContact O-N 2.83Å; N162-S166 PolarHBondContact O-OG 3.5Å; F163-S166 WeakPolarHBondContact O-CB 3.47Å; F163-S166 PolarHBondContact O-N 2.64Å; F163-S166 VanDerWaalsContact O-N 3.15Å; T164-S166 PolarHBondContact O-N 3.02Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.01Å; S166-K169 PolarHBondContact O-N 2.83Å; S166-K169 VanDerWaalsContact O-N 3.13Å; S166-L170 WeakPolarHBondContact O-CG 3.41Å; S166-L170 PolarHBondContact O-N 3.41Å; S166-L170 VanDerWaalsContact O-N 3.07Å
167L98.9Very high98.8Very high20 Ų2041.4 Ų41.411%0.10524%0.243CC..Hα-helixtrans-55.1-45.1175.4-69177.1000112.3T117 I135 F163 T164 K169 L170 A171 A178T117-L167 HydrophobicContact CG2-CD1 3.84Å; T117-L167 HydrophobicContact CG2-CD2 4.02Å; I135-L167 HydrophobicContact CD1-CD1 4.45Å; F163-L167 HydrophobicContact CD1-CD1 4.02Å; F163-L167 HydrophobicContact CD1-CG 4.41Å; F163-L167 HydrophobicContact CE1-CD1 3.57Å; F163-L167 HydrophobicContact CE1-CD2 4.38Å; F163-L167 HydrophobicContact CE1-CG 4.07Å; F163-L167 HydrophobicContact CE2-CD2 4.28Å; F163-L167 HydrophobicContact CE2-CG 4.44Å; F163-L167 HydrophobicContact CZ-CD1 3.99Å; F163-L167 HydrophobicContact CZ-CD2 3.93Å; F163-L167 HydrophobicContact CZ-CG 4.08Å; F163-L167 PolarHBondContact O-N 2.91Å; T164-L167 PolarHBondContact O-N 2.86Å; L167-K169 VanDerWaalsContact C-N 3.27Å; L167-K169 PolarHBondContact O-N 3.25Å; L167-L170 CarbonylContact O-C 3.59Å; L167-L170 WeakPolarHBondContact O-CA 3.26Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 3.46Å; L167-A171 PolarHBondContact O-N 3.33Å; L167-A178 HydrophobicContact CB-CB 3.72Å; L167-A178 HydrophobicContact CD1-CB 4.16Å
168A98.9Very high98.9Very high6 Ų641 Ų415%0.0524%0.241CC..Hα-helixtrans-60.4-37.3179.500000112.9T164 S166 L170 A171 N232T164-A168 PolarHBondContact O-N 2.86Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.01Å; A168-L170 VanDerWaalsContact C-N 3.29Å; A168-A171 VanDerWaalsContact O-CB 3.27Å; A168-A171 WeakPolarHBondContact O-CB 3.38Å; A168-A171 PolarHBondContact O-N 3.16Å; A168-N232 WeakPolarHBondContact CA-OD1 3.35Å; A168-N232 WeakPolarHBondContact CB-OD1 3.38Å; A168-N232 PolarHBondContact O-ND2 2.84Å
169K98.9Very high98.9Very high158 Ų15839 Ų3969%0.68723%0.226SC*.Hα-helixtrans-71.7-24.4175-66.5173.9-175.5177.20112.5S165 S166 L167 A171 P172S165-K169 WeakPolarHBondContact O-CG 3.46Å; S165-K169 PolarHBondContact O-N 2.69Å; S166-K169 PolarHBondContact O-N 2.83Å; S166-K169 VanDerWaalsContact O-N 3.13Å; L167-K169 VanDerWaalsContact C-N 3.27Å; L167-K169 PolarHBondContact O-N 3.25Å; K169-A171 VanDerWaalsContact C-N 3.34Å; K169-P172 WeakPolarHBondContact O-CD 3.37Å
170L98.9Very high98.9Very high76 Ų7637.8 Ų37.840%0.39822%0.215SC..Hα-helixtrans-82.8-7.9174.9-65.7172.6000113.1S166 L167 A168 P172 I173 T174S166-L170 WeakPolarHBondContact O-CG 3.41Å; S166-L170 PolarHBondContact O-N 3.41Å; S166-L170 VanDerWaalsContact O-N 3.07Å; L167-L170 CarbonylContact O-C 3.59Å; L167-L170 WeakPolarHBondContact O-CA 3.26Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 3.46Å; A168-L170 VanDerWaalsContact C-N 3.29Å; L170-P172 VanDerWaalsContact C-CD 3.44Å; L170-P172 VanDerWaalsContact C-N 3.34Å; L170-I173 HydrophobicContact CD2-CD1 3.99Å; L170-I173 WeakPolarHBondContact O-CA 3.36Å; L170-I173 WeakPolarHBondContact O-CB 3.38Å; L170-I173 PolarHBondContact O-N 2.78Å; L170-T174 HydrophobicContact CB-CG2 4.42Å; L170-T174 PolarHBondContact O-N 3.31Å; L170-T174 PolarHBondContact O-OG1 3.43Å
171A98.8Very high98.8Very high12 Ų1237.8 Ų37.810%0.09922%0.215CC..Hα-helixtrans-53.2-39.8-18000000114.3L167 A168 K169 I173 G175 V176 T177L167-A171 PolarHBondContact O-N 3.33Å; A168-A171 VanDerWaalsContact O-CB 3.27Å; A168-A171 WeakPolarHBondContact O-CB 3.38Å; A168-A171 PolarHBondContact O-N 3.16Å; K169-A171 VanDerWaalsContact C-N 3.34Å; A171-I173 PolarHBondContact O-N 3.44Å; A171-I173 VanDerWaalsContact O-N 3.15Å; A171-G175 VanDerWaalsContact O-CA 3.31Å; A171-G175 WeakPolarHBondContact O-CA 3.42Å; A171-G175 PolarHBondContact O-N 3.13Å; A171-V176 WeakPolarHBondContact CA-O 3.33Å; A171-V176 VanDerWaalsContact CB-O 3.25Å; A171-V176 WeakPolarHBondContact CB-O 3.31Å; A171-T177 HydrophobicContact CB-CG2 4.12Å
172P98.8Very high98.8Very high97 Ų9736.9 Ų36.963%0.6321%0.21SC*.Hα-helixtrans-64-16.3173.8-22.435.3000114.2K126 K169 L170K126-P172 WeakPolarHBondContact CE-O 3.43Å; K126-P172 PolarHBondContact NZ-O 2.93Å; K169-P172 WeakPolarHBondContact O-CD 3.37Å; L170-P172 VanDerWaalsContact C-CD 3.44Å; L170-P172 VanDerWaalsContact C-N 3.34Å
173I98.8Very high98.8Very high85 Ų8532 Ų3244%0.43618%0.184SC..Hα-helixtrans-97.8-45.6179.2-60.6173.2000110.8K126 R127 L170 A171K126-I173 WeakPolarHBondContact CE-O 3.41Å; K126-I173 WeakPolarHBondContact CG-O 3.5Å; R127-I173 WeakPolarHBondContact CG-O 3.49Å; L170-I173 HydrophobicContact CD2-CD1 3.99Å; L170-I173 WeakPolarHBondContact O-CA 3.36Å; L170-I173 WeakPolarHBondContact O-CB 3.38Å; L170-I173 PolarHBondContact O-N 2.78Å; A171-I173 PolarHBondContact O-N 3.44Å; A171-I173 VanDerWaalsContact O-N 3.15Å
174T98.8Very high98.8Very high11 Ų1131.1 Ų31.17%0.06719%0.186CC..Hα-helixtrans-95.4-19.6-173.160.20000113.9L121 K126 L170 V176L121-T174 HydrophobicContact CD1-CG2 4.17Å; K126-T174 PolarHBondContact N-O 3.18Å; L170-T174 HydrophobicContact CB-CG2 4.42Å; L170-T174 PolarHBondContact O-N 3.31Å; L170-T174 PolarHBondContact O-OG1 3.43Å; T174-V176 PolarHBondContact O-N 2.83Å; T174-V176 PolarHBondContact OG1-N 3.03Å; T174-V176 VanDerWaalsContact OG1-N 3.15Å
175G98.7Very high98.7Very high26 Ų2633 Ų3327%0.26820%0.195SC..SBendtrans74.74.2-168.800000113.8G132 G133 A171G132-G175 WeakPolarHBondContact CA-O 3.29Å; G133-G175 PolarHBondContact N-O 3.47Å; A171-G175 VanDerWaalsContact O-CA 3.31Å; A171-G175 WeakPolarHBondContact O-CA 3.42Å; A171-G175 PolarHBondContact O-N 3.13Å
176V98.9Very high98.6Very high5 Ų531.3 Ų31.33%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-105.5118.6-178.8179.90000109.8L121 W124 G133 I135 A171 T174L121-V176 HydrophobicContact CD2-CB 4.06Å; L121-V176 HydrophobicContact CD2-CG1 4.24Å; L121-V176 HydrophobicContact CD2-CG2 3.55Å; W124-V176 HydrophobicContact CB-CG2 3.7Å; W124-V176 HydrophobicContact CE3-CG1 4.14Å; W124-V176 HydrophobicContact CE3-CG2 4.18Å; W124-V176 HydrophobicContact CZ3-CG1 4.45Å; G133-V176 WeakPolarHBondContact O-CA 3.25Å; I135-V176 HydrophobicContact CD1-CG1 3.72Å; I135-V176 HydrophobicContact CG1-CG1 3.8Å; A171-V176 WeakPolarHBondContact CA-O 3.33Å; A171-V176 VanDerWaalsContact CB-O 3.25Å; A171-V176 WeakPolarHBondContact CB-O 3.31Å; T174-V176 PolarHBondContact O-N 2.83Å; T174-V176 PolarHBondContact OG1-N 3.03Å; T174-V176 VanDerWaalsContact OG1-N 3.15Å
177T98.9Very high98.3Very high38 Ų3834.4 Ų34.423%0.23319%0.187CC..EExtended strand (participates in β ladder)trans-88.5153.4174.958.10000110.5G133 I135 A171 N232G133-T177 PolarHBondContact O-N 2.89Å; G133-T177 PolarHBondContact O-OG1 3.4Å; I135-T177 PolarHBondContact N-O 3Å; A171-T177 HydrophobicContact CB-CG2 4.12Å; T177-N232 VanDerWaalsContact CA-OD1 3.29Å; T177-N232 WeakPolarHBondContact CA-OD1 3.37Å; T177-N232 VanDerWaalsContact CB-OD1 3.31Å; T177-N232 WeakPolarHBondContact CB-OD1 3.32Å; T177-N232 HydrophobicContact CG2-CB 3.91Å
178A98.9Very high98Very high0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-147.8151178.700000112.7I135 T164 L167 N232 G233I135-A178 HydrophobicContact CB-CB 4.08Å; I135-A178 WeakPolarHBondContact O-CA 3.3Å; T164-A178 HydrophobicContact CG2-CB 3.91Å; L167-A178 HydrophobicContact CB-CB 3.72Å; L167-A178 HydrophobicContact CD1-CB 4.16Å; A178-N232 PolarHBondContact N-OD1 3.12Å; A178-N232 PolarHBondContact O-OD1 3.08Å; A178-G233 PolarHBondContact O-N 3.35Å
179Y98.9Very high97.4Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-148.7161.917048.6-96.9000110.5I134 I135 C136 N137 T164 V181 I227 A234I134-Y179 HydrophobicContact CG2-CE1 3.68Å; I135-Y179 PolarHBondContact O-N 2.86Å; I135-Y179 VanDerWaalsContact O-N 3.1Å; C136-Y179 HydrophobicContact CB-CD2 4.35Å; C136-Y179 HydrophobicContact CB-CE2 3.68Å; N137-Y179 PolarHBondContact N-O 3.49Å; N137-Y179 VanDerWaalsContact N-O 3.09Å; T164-Y179 VanDerWaalsContact CG2-C 3.48Å; T164-Y179 WeakPolarHBondContact CG2-O 3.46Å; Y179-V181 HydrophobicContact CD2-CG2 4.49Å; Y179-I227 WeakPolarHBondContact OH-CA 3.32Å; Y179-A234 WeakPolarHBondContact CA-O 3.16Å; Y179-A234 VanDerWaalsContact CB-O 3.25Å; Y179-A234 WeakPolarHBondContact CB-O 3.26Å
180T98.9Very high96.8Very high1 Ų134.8 Ų34.81%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-107.3142176.655.40000111.7N137 T164 N182 A234 W236N137-T180 HydrophobicContact CB-CG2 4.43Å; N137-T180 WeakPolarHBondContact O-CA 3.34Å; T164-T180 HydrophobicContact CG2-CG2 3.35Å; T164-T180 VanDerWaalsContact OG1-CG2 3.26Å; T164-T180 WeakPolarHBondContact OG1-CG2 3.44Å; T180-N182 WeakPolarHBondContact CB-ND2 3.1Å; T180-N182 PolarHBondContact OG1-ND2 2.62Å; T180-A234 PolarHBondContact N-O 2.84Å; T180-W236 WeakPolarHBondContact O-CB 3.25Å; T180-W236 PolarHBondContact O-N 3.41Å
181V98.8Very high96.1Very high0 Ų031.8 Ų31.80%019%0.186CC..EExtended strand (participates in β ladder)trans-111.3124.8166.9177.80000107.9N137 I138 G139 Y179 P183 F223 A226 W236 L238N137-V181 PolarHBondContact O-N 3.3Å; I138-V181 CarbonylContact C-O 3.13Å; G139-V181 PolarHBondContact N-O 2.65Å; Y179-V181 HydrophobicContact CD2-CG2 4.49Å; V181-P183 WeakPolarHBondContact O-CD 3.44Å; V181-F223 HydrophobicContact CB-CD2 4.26Å; V181-F223 HydrophobicContact CB-CE2 3.91Å; V181-F223 HydrophobicContact CB-CZ 4.09Å; V181-F223 HydrophobicContact CG1-CD2 3.58Å; V181-F223 HydrophobicContact CG1-CE2 3.68Å; V181-F223 HydrophobicContact CG1-CG 4.09Å; V181-F223 HydrophobicContact CG1-CZ 4.3Å; V181-F223 HydrophobicContact CG2-CD1 4.45Å; V181-F223 HydrophobicContact CG2-CE1 4.2Å; V181-F223 HydrophobicContact CG2-CE2 4.36Å; V181-F223 HydrophobicContact CG2-CZ 4.15Å; V181-A226 HydrophobicContact CG2-CB 4.14Å; V181-W236 HydrophobicContact CG2-CB 4.46Å; V181-L238 HydrophobicContact CG1-CD1 3.2Å; V181-L238 HydrophobicContact CG1-CD2 4.39Å; V181-L238 HydrophobicContact CG1-CG 3.61Å
182N98.7Very high95.4Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-125.685.2-168.7-54.1-82.1000109.4G139 S140 F144 V161 T180 W236 L238G139-N182 WeakPolarHBondContact CA-OD1 3.34Å; S140-N182 PolarHBondContact N-OD1 2.83Å; F144-N182 HydrophobicContact CE2-CB 3.85Å; F144-N182 HydrophobicContact CZ-CB 3.65Å; F144-N182 VanDerWaalsContact CZ-CG 3.44Å; V161-N182 WeakPolarHBondContact CG2-OD1 3.48Å; T180-N182 WeakPolarHBondContact CB-ND2 3.1Å; T180-N182 PolarHBondContact OG1-ND2 2.62Å; N182-W236 WeakPolarHBondContact CA-O 3.21Å; N182-W236 VanDerWaalsContact CB-O 3.26Å; N182-W236 WeakPolarHBondContact CB-O 3.33Å; N182-W236 PolarHBondContact N-O 3.24Å; N182-W236 PolarHBondContact ND2-O 3.39Å; N182-L238 PolarHBondContact O-N 2.84Å; N182-L238 VanDerWaalsContact O-N 3.08Å
183P98.4Very high94.9Very high8 Ų841 Ų415%0.05222%0.215CC..  trans-63.1141.6178-23.335.2000112.5I19 I138 V141 V181I19-P183 HydrophobicContact CD1-CB 3.74Å; I19-P183 HydrophobicContact CD1-CG 3.76Å; I138-P183 HydrophobicContact CG2-CG 4.47Å; V141-P183 PolarHBondContact N-O 3.15Å; V181-P183 WeakPolarHBondContact O-CD 3.44Å
184G97.7Very high94.7Very high20 Ų2037.7 Ų37.721%0.20620%0.197CC..  trans-70.4-170.2159.500000112.8T186 L238G184-T186 PolarHBondContact O-N 3.05Å; G184-T186 PolarHBondContact O-OG1 3.12Å; G184-L238 PolarHBondContact N-O 3.08Å
185I96.9Very high94.7Very high40 Ų4039.6 Ų39.621%0.20521%0.207CC..SBendtrans-63.2113.3177.8-51.4-54.4000109.4I147 L208 T213 Q214I147-I185 HydrophobicContact CD1-CD1 4.16Å; I185-L208 HydrophobicContact CD1-CD1 4.15Å; I185-L208 HydrophobicContact CD1-CD2 4.12Å; I185-L208 HydrophobicContact CG1-CD2 4.38Å; I185-L208 HydrophobicContact CG2-CB 4.48Å; I185-T213 HydrophobicContact CB-CG2 3.85Å; I185-T213 HydrophobicContact CG2-CG2 3.46Å; I185-T213 VanDerWaalsContact CG2-CG2 3.46Å; I185-T213 WeakPolarHBondContact O-CB 3.24Å; I185-Q214 PolarHBondContact O-N 3.29Å; I185-Q214 VanDerWaalsContact O-N 3.08Å
186T96.5Very high94.6Very high4 Ų438.4 Ų38.43%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-120.3127.7-174.3-55.10000109.3I19 G184 T188 V191 Q214 C219I19-T186 HydrophobicContact CD1-CG2 4.12Å; I19-T186 HydrophobicContact CG1-CG2 3.94Å; G184-T186 PolarHBondContact O-N 3.05Å; G184-T186 PolarHBondContact O-OG1 3.12Å; T186-T188 HydrophobicContact CG2-CG2 4.11Å; T186-T188 PolarHBondContact O-N 2.94Å; T186-T188 PolarHBondContact O-OG1 3.23Å; T186-V191 VanDerWaalsContact O-CG2 3.22Å; T186-V191 WeakPolarHBondContact O-CG2 3.44Å; T186-Q214 WeakPolarHBondContact CA-O 3.42Å; T186-Q214 HydrophobicContact CG2-CG 4.13Å; T186-Q214 WeakPolarHBondContact OG1-CG 3.35Å; T186-C219 HydrophobicContact CG2-CB 4.03Å
187R93.6Very high94.6Very high115 Ų11543.1 Ų43.143%0.43421%0.212SC..EExtended strand (participates in β ladder)trans-67.493-176.6-65.3-175.9-66.9-93.65.7110.6L209 T213 Q214R187-L209 HydrophobicContact CG-CD2 4.34Å; R187-T213 PolarHBondContact NH1-O 3.3Å; R187-T213 PolarHBondContact NH1-OG1 3.43Å; R187-Q214 PolarHBondContact N-O 2.75Å
188T92.6Very high94.6Very high17 Ų1747 Ų4710%0.10423%0.231CC..SBendtrans-138.8168.3177.463.30000109.1I19 T186 L190 V191 H192I19-T188 HydrophobicContact CG1-CG2 4.01Å; T186-T188 HydrophobicContact CG2-CG2 4.11Å; T186-T188 PolarHBondContact O-N 2.94Å; T186-T188 PolarHBondContact O-OG1 3.23Å; T188-L190 PolarHBondContact O-N 2.98Å; T188-L190 VanDerWaalsContact O-N 3.11Å; T188-V191 WeakPolarHBondContact O-CG2 3.26Å; T188-V191 PolarHBondContact O-N 3.3Å; T188-H192 PolarHBondContact O-CD2 3.43Å; T188-H192 PolarHBondContact O-NE2 3.33Å
189T87.1Confident94.6Very high111 Ų11151.4 Ų51.468%0.68125%0.254SS*.G310 helixtrans-56.3-28.9177.250.60000113.5V191 H192T189-V191 PolarHBondContact O-N 3.11Å; T189-H192 PolarHBondContact O-N 2.81Å
190L86.1Confident94.5Very high64 Ų6455.4 Ų55.434%0.33528%0.279SS..G310 helixtrans-59.7-32.9-179.8-171.867.8000113.1L97 T188L97-L190 HydrophobicContact CB-CD1 3.72Å; L97-L190 HydrophobicContact CB-CD2 4.47Å; L97-L190 HydrophobicContact CB-CG 4.05Å; T188-L190 PolarHBondContact O-N 2.98Å; T188-L190 VanDerWaalsContact O-N 3.11Å
191V84.1Confident94.5Very high14 Ų1456.9 Ų56.99%0.08529%0.286CS..G310 helixtrans-102.16-175.2-61.10000113.4T186 T188 T189 A205 L209T186-V191 VanDerWaalsContact O-CG2 3.22Å; T186-V191 WeakPolarHBondContact O-CG2 3.44Å; T188-V191 WeakPolarHBondContact O-CG2 3.26Å; T188-V191 PolarHBondContact O-N 3.3Å; T189-V191 PolarHBondContact O-N 3.11Å; V191-A205 WeakPolarHBondContact O-CB 3.44Å; V191-L209 HydrophobicContact CG2-CD2 4.35Å
192H84.3Confident94.3Very high120 Ų12061.6 Ų61.656%0.55632%0.316SS*.THydrogen-bonded Turntrans-77.6-39.1-179.6-74-171.9000112.8T188 T189T188-H192 PolarHBondContact O-CD2 3.43Å; T188-H192 PolarHBondContact O-NE2 3.33Å; T189-H192 PolarHBondContact O-N 2.81Å
193K87.4Confident94.2Very high182 Ų18266.3 Ų66.379%0.79134%0.338SS*.SBendtrans-159132.4175.8-172.9175.3-179.1178.80109.2
194F94.5Very high94.1Very high15 Ų1566 Ų667%0.06634%0.336CS..  trans-158.5162.4178.254.4-98.6000110.6L97 V150 V204 A205 L208L97-F194 HydrophobicContact CD2-CB 3.41Å; L97-F194 VanDerWaalsContact CD2-CB 3.41Å; L97-F194 HydrophobicContact CD2-CD1 3.87Å; L97-F194 HydrophobicContact CD2-CD2 3.15Å; L97-F194 HydrophobicContact CD2-CE1 4.38Å; L97-F194 HydrophobicContact CD2-CE2 3.71Å; L97-F194 HydrophobicContact CD2-CG 3.22Å; L97-F194 HydrophobicContact CD2-CZ 4.3Å; L97-F194 WeakPolarHBondContact O-CB 3.41Å; V150-F194 HydrophobicContact CG1-CD2 3.95Å; V150-F194 HydrophobicContact CG1-CE2 3.79Å; F194-V204 HydrophobicContact CD2-CB 4.4Å; F194-V204 HydrophobicContact CE2-CB 3.39Å; F194-V204 HydrophobicContact CE2-CG1 3.61Å; F194-V204 HydrophobicContact CE2-CG2 3.91Å; F194-V204 HydrophobicContact CZ-CB 3.58Å; F194-V204 HydrophobicContact CZ-CG1 3.61Å; F194-A205 HydrophobicContact CD1-CB 3.99Å; F194-A205 HydrophobicContact CE1-CB 3.62Å; F194-A205 HydrophobicContact CZ-CB 4.26Å; F194-L208 HydrophobicContact CE1-CD1 4.36Å; F194-L208 HydrophobicContact CZ-CD1 3.79Å
195N97.9Very high93.9Very high52 Ų5265.6 Ų65.628%0.27833%0.33SS..PPolyproline II helixtrans-93.7129.8-176.5-55.1-42.8000111D98 D99 H100D98-N195 WeakPolarHBondContact OD1-CB 3.15Å; D98-N195 PolarHBondContact OD1-ND2 3.19Å; D98-N195 PolarHBondContact OD2-ND2 3.44Å; D99-N195 PolarHBondContact N-O 3.25Å; H100-N195 HydrophobicContact CB-CB 4.3Å; H100-N195 PolarHBondContact ND1-ND2 3.32Å
196S98.4Very high93.9Very high0 Ų069.5 Ų69.50%035%0.348CS..PPolyproline II helixtrans-76153.6167.561.60000110.9H100 Q149 L198 D199 V200 E201H100-S196 PolarHBondContact CD2-O 3.48Å; Q149-S196 WeakPolarHBondContact O-CA 3.35Å; Q149-S196 VanDerWaalsContact O-CB 3.26Å; Q149-S196 WeakPolarHBondContact O-CB 3.42Å; S196-L198 PolarHBondContact O-N 3.06Å; S196-D199 PolarHBondContact O-N 3.32Å; S196-D199 VanDerWaalsContact OG-CA 3.3Å; S196-D199 WeakPolarHBondContact OG-CA 3.41Å; S196-V200 PolarHBondContact OG-N 2.93Å; S196-E201 WeakPolarHBondContact CB-O 3.48Å; S196-E201 PolarHBondContact OG-N 2.62Å; S196-E201 VanDerWaalsContact OG-N 3.07Å; S196-E201 PolarHBondContact OG-O 3.48Å; S196-E201 VanDerWaalsContact OG-O 3.11Å
197W98.6Very high93.9Very high104 Ų10473.8 Ų73.839%0.39437%0.366SS..G310 helixtrans-60.3127.6175.5179.564.6000110.9D99 Q149 P151 D199 V200D99-W197 HydrophobicContact CB-CB 3.91Å; Q149-W197 PolarHBondContact O-N 3.01Å; P151-W197 HydrophobicContact CG-CB 3.7Å; P151-W197 HydrophobicContact CG-CD2 3.96Å; P151-W197 HydrophobicContact CG-CE3 3.97Å; P151-W197 HydrophobicContact CG-CG 3.88Å; W197-D199 PolarHBondContact O-N 2.85Å; W197-D199 VanDerWaalsContact O-N 3.09Å; W197-V200 VanDerWaalsContact O-CG1 3.25Å; W197-V200 WeakPolarHBondContact O-CG1 3.44Å; W197-V200 VanDerWaalsContact O-CG2 3.26Å; W197-V200 WeakPolarHBondContact O-CG2 3.49Å; W197-V200 PolarHBondContact O-N 3.5Å
198L98.3Very high93.9Very high121 Ų12169.9 Ų69.963%0.63435%0.354SS*.G310 helixtrans52.627.8-177.7-55.3177.6000114.5S196 V200S196-L198 PolarHBondContact O-N 3.06Å; L198-V200 HydrophobicContact CB-CG1 4.31Å; L198-V200 PolarHBondContact O-N 3.05Å; L198-V200 VanDerWaalsContact O-N 3.08Å
199D98.3Very high94Very high92 Ų9272.2 Ų72.249%0.49237%0.365SS..G310 helixtrans54.926.4-178.2-60.3-40.7000114.4H100 S196 W197 E201H100-D199 IonicContact CD2-OD1 3.9Å; H100-D199 IonicContact CE1-OD1 3.82Å; H100-D199 PolarHBondContact CE1-OD1 3.3Å; H100-D199 VanDerWaalsContact CE1-OD1 3.22Å; H100-D199 IonicContact NE2-OD1 3.98Å; H100-D199 PolarHBondContact NE2-OD1 3.34Å; H100-D199 IonicContact NE2-OD2 2.65Å; S196-D199 PolarHBondContact O-N 3.32Å; S196-D199 VanDerWaalsContact OG-CA 3.3Å; S196-D199 WeakPolarHBondContact OG-CA 3.41Å; W197-D199 PolarHBondContact O-N 2.85Å; W197-D199 VanDerWaalsContact O-N 3.09Å; D199-E201 PolarHBondContact O-N 2.96Å
200V98.4Very high94.5Very high84 Ų8470.9 Ų70.951%0.50937%0.366SS..SBendtrans-59.8-21.6-179.3-65.20000113.3Q149 S196 W197 L198Q149-V200 HydrophobicContact CB-CG2 4.25Å; S196-V200 PolarHBondContact OG-N 2.93Å; W197-V200 VanDerWaalsContact O-CG1 3.25Å; W197-V200 WeakPolarHBondContact O-CG1 3.44Å; W197-V200 VanDerWaalsContact O-CG2 3.26Å; W197-V200 WeakPolarHBondContact O-CG2 3.49Å; W197-V200 PolarHBondContact O-N 3.5Å; L198-V200 HydrophobicContact CB-CG1 4.31Å; L198-V200 PolarHBondContact O-N 3.05Å; L198-V200 VanDerWaalsContact O-N 3.08Å
201E97.7Very high95Very high32 Ų3274 Ų7415%0.1538%0.378CS..  trans-156.294.2175.1177.858.6-114.400110.7Q149 S196 D199 Q203 V204 K207Q149-E201 HydrophobicContact CB-CB 4.04Å; Q149-E201 HydrophobicContact CG-CB 3.59Å; Q149-E201 HydrophobicContact CG-CG 4.03Å; S196-E201 WeakPolarHBondContact CB-O 3.48Å; S196-E201 PolarHBondContact OG-N 2.62Å; S196-E201 VanDerWaalsContact OG-N 3.07Å; S196-E201 PolarHBondContact OG-O 3.48Å; S196-E201 VanDerWaalsContact OG-O 3.11Å; D199-E201 PolarHBondContact O-N 2.96Å; E201-Q203 PolarHBondContact O-N 3.37Å; E201-Q203 VanDerWaalsContact O-N 3.15Å; E201-Q203 WeakPolarHBondContact OE1-CB 3.33Å; E201-Q203 PolarHBondContact OE1-N 3.2Å; E201-V204 HydrophobicContact CB-CG2 3.86Å; E201-V204 HydrophobicContact CG-CB 4.38Å; E201-V204 HydrophobicContact CG-CG2 3.68Å; E201-V204 WeakPolarHBondContact O-CG2 3.39Å; E201-K207 HydrophobicContact CG-CD 4.38Å; E201-K207 WeakPolarHBondContact OE1-CE 3.03Å; E201-K207 IonicContact OE1-NZ 2.64Å; E201-K207 PolarHBondContact OE1-NZ 3.39Å; E201-K207 IonicContact OE2-NZ 3.02Å; E201-K207 PolarHBondContact OE2-NZ 3.15Å
202P94.8Very high95.6Very high99 Ų9979.8 Ų79.864%0.64342%0.416SS*.THydrogen-bonded Turntrans-66.8-15.8-179.6-23.735.6000114.4
203Q96.6Very high96.3Very high98 Ų9875.8 Ų75.846%0.45840%0.4SS..THydrogen-bonded Turntrans-107.424.3-175.5-57.8-179.6-71.300113.3E201 A205 E206 K207E201-Q203 PolarHBondContact O-N 3.37Å; E201-Q203 VanDerWaalsContact O-N 3.15Å; E201-Q203 WeakPolarHBondContact OE1-CB 3.33Å; E201-Q203 PolarHBondContact OE1-N 3.2Å; Q203-A205 VanDerWaalsContact C-N 3.25Å; Q203-A205 PolarHBondContact O-N 2.98Å; Q203-E206 HydrophobicContact CB-CB 4.36Å; Q203-E206 PolarHBondContact NE2-OE2 3.35Å; Q203-E206 PolarHBondContact O-N 3.18Å; Q203-K207 WeakPolarHBondContact O-CG 3.46Å; Q203-K207 PolarHBondContact O-N 3.07Å
204V95.8Very high96.8Very high3 Ų368.6 Ų68.62%0.01837%0.369CS..Hα-helixtrans-54.1-44.3-178.8-165.20000111.3I147 Q149 F194 E201 E206 K207 L208I147-V204 HydrophobicContact CG2-CG1 3.92Å; Q149-V204 HydrophobicContact CB-CG1 4.31Å; Q149-V204 HydrophobicContact CB-CG2 3.64Å; Q149-V204 HydrophobicContact CG-CG2 4.25Å; F194-V204 HydrophobicContact CD2-CB 4.4Å; F194-V204 HydrophobicContact CE2-CB 3.39Å; F194-V204 HydrophobicContact CE2-CG1 3.61Å; F194-V204 HydrophobicContact CE2-CG2 3.91Å; F194-V204 HydrophobicContact CZ-CB 3.58Å; F194-V204 HydrophobicContact CZ-CG1 3.61Å; E201-V204 HydrophobicContact CB-CG2 3.86Å; E201-V204 HydrophobicContact CG-CB 4.38Å; E201-V204 HydrophobicContact CG-CG2 3.68Å; E201-V204 WeakPolarHBondContact O-CG2 3.39Å; V204-E206 PolarHBondContact O-N 3.38Å; V204-K207 PolarHBondContact O-N 3.31Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.16Å; V204-L208 WeakPolarHBondContact O-CB 3.41Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 3.46Å; V204-L208 PolarHBondContact O-N 3.17Å
205A95.3Very high96.9Very high10 Ų1070.5 Ų70.58%0.08338%0.383CS..Hα-helixtrans-57.8-49.5-179.800000112.4V191 F194 Q203 K207 L208 L209V191-A205 WeakPolarHBondContact O-CB 3.44Å; F194-A205 HydrophobicContact CD1-CB 3.99Å; F194-A205 HydrophobicContact CE1-CB 3.62Å; F194-A205 HydrophobicContact CZ-CB 4.26Å; Q203-A205 VanDerWaalsContact C-N 3.25Å; Q203-A205 PolarHBondContact O-N 2.98Å; A205-K207 PolarHBondContact O-N 3.02Å; A205-L208 PolarHBondContact O-N 3.33Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.25Å; A205-L209 PolarHBondContact O-N 2.8Å
206E95.8Very high96.8Very high122 Ų12269.3 Ų69.357%0.5738%0.379SS*.Hα-helixtrans-60.3-47177.8-175.4-174.6163.200110.9Q203 V204 L208 L209 A210Q203-E206 HydrophobicContact CB-CB 4.36Å; Q203-E206 PolarHBondContact NE2-OE2 3.35Å; Q203-E206 PolarHBondContact O-N 3.18Å; V204-E206 PolarHBondContact O-N 3.38Å; E206-L208 PolarHBondContact O-N 2.68Å; E206-L209 PolarHBondContact O-N 3.11Å; E206-A210 PolarHBondContact O-N 2.87Å
207K95.9Very high96.7Very high95 Ų9573.2 Ų73.241%0.41340%0.4SS..Hα-helixtrans-63.1-41179.7-69.3-179.7178.8-178.90112.1E201 Q203 V204 A205 A210 H211E201-K207 HydrophobicContact CG-CD 4.38Å; E201-K207 WeakPolarHBondContact OE1-CE 3.03Å; E201-K207 IonicContact OE1-NZ 2.64Å; E201-K207 PolarHBondContact OE1-NZ 3.39Å; E201-K207 IonicContact OE2-NZ 3.02Å; E201-K207 PolarHBondContact OE2-NZ 3.15Å; Q203-K207 WeakPolarHBondContact O-CG 3.46Å; Q203-K207 PolarHBondContact O-N 3.07Å; V204-K207 PolarHBondContact O-N 3.31Å; A205-K207 PolarHBondContact O-N 3.02Å; K207-A210 PolarHBondContact O-N 2.98Å; K207-H211 PolarHBondContact O-CD2 3.06Å
208L95.1Very high96.6Very high32 Ų3269.6 Ų69.617%0.16839%0.391CS..Hα-helixtrans-65.3-41.5175.8-71.2173.1000112.1I147 I185 F194 V204 A205 E206 A210 H211I147-L208 HydrophobicContact CD1-CD1 3.89Å; I147-L208 HydrophobicContact CD1-CD2 4.01Å; I147-L208 HydrophobicContact CG1-CD2 4.5Å; I185-L208 HydrophobicContact CD1-CD1 4.15Å; I185-L208 HydrophobicContact CD1-CD2 4.12Å; I185-L208 HydrophobicContact CG1-CD2 4.38Å; I185-L208 HydrophobicContact CG2-CB 4.48Å; F194-L208 HydrophobicContact CE1-CD1 4.36Å; F194-L208 HydrophobicContact CZ-CD1 3.79Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.16Å; V204-L208 WeakPolarHBondContact O-CB 3.41Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 3.46Å; V204-L208 PolarHBondContact O-N 3.17Å; A205-L208 PolarHBondContact O-N 3.33Å; E206-L208 PolarHBondContact O-N 2.68Å; L208-A210 PolarHBondContact O-N 3.06Å; L208-H211 PolarHBondContact O-N 3.47Å
209L94.9Very high96.6Very high66 Ų6663.8 Ų63.835%0.34636%0.361SS..Hα-helixtrans-74-14.9-178.6-68.7173.2000113.4R187 V191 A205 E206 H211 T213R187-L209 HydrophobicContact CG-CD2 4.34Å; V191-L209 HydrophobicContact CG2-CD2 4.35Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.25Å; A205-L209 PolarHBondContact O-N 2.8Å; E206-L209 PolarHBondContact O-N 3.11Å; L209-H211 PolarHBondContact O-N 3.46Å; L209-T213 HydrophobicContact CD2-CG2 4.28Å
210A96.3Very high96.6Very high84 Ų8459.4 Ų59.469%0.69434%0.338SS*.THydrogen-bonded Turntrans-72.8-10.6171.200000113.6E206 K207 L208E206-A210 PolarHBondContact O-N 2.87Å; K207-A210 PolarHBondContact O-N 2.98Å; L208-A210 PolarHBondContact O-N 3.06Å
211H96.6Very high96.6Very high130 Ų13059.8 Ų59.860%0.60233%0.334SS*.SBendtrans-103.8166.2176.7-64.4-67.6000111.7K207 L208 L209 T213K207-H211 PolarHBondContact O-CD2 3.06Å; L208-H211 PolarHBondContact O-N 3.47Å; L209-H211 PolarHBondContact O-N 3.46Å; H211-T213 WeakPolarHBondContact O-CG2 3.44Å; H211-T213 PolarHBondContact O-N 2.98Å
212P97.6Very high96.7Very high135 Ų13561.4 Ų61.488%0.87734%0.344SS*.  trans-54.9128.4175-27.436.3000112.5
213T97.5Very high96.9Very high36 Ų3656.7 Ų56.722%0.22131%0.313CS..  trans-131.8165-179.956.80000110.9I185 R187 L209 H211I185-T213 HydrophobicContact CB-CG2 3.85Å; I185-T213 HydrophobicContact CG2-CG2 3.46Å; I185-T213 VanDerWaalsContact CG2-CG2 3.46Å; I185-T213 WeakPolarHBondContact O-CB 3.24Å; R187-T213 PolarHBondContact NH1-O 3.3Å; R187-T213 PolarHBondContact NH1-OG1 3.43Å; L209-T213 HydrophobicContact CD2-CG2 4.28Å; H211-T213 WeakPolarHBondContact O-CG2 3.44Å; H211-T213 PolarHBondContact O-N 2.98Å
214Q97.9Very high96.9Very high30 Ų3052 Ų5214%0.1429%0.291CS..EExtended strand (participates in β ladder)trans-106.4151.9176.270.5179-57.500113I185 T186 R187 C219 L238I185-Q214 PolarHBondContact O-N 3.29Å; I185-Q214 VanDerWaalsContact O-N 3.08Å; T186-Q214 WeakPolarHBondContact CA-O 3.42Å; T186-Q214 HydrophobicContact CG2-CG 4.13Å; T186-Q214 WeakPolarHBondContact OG1-CG 3.35Å; R187-Q214 PolarHBondContact N-O 2.75Å; Q214-C219 HydrophobicContact CG-CB 4.49Å; Q214-L238 PolarHBondContact NE2-O 3.19Å; Q214-L238 VanDerWaalsContact NE2-O 3.1Å; Q214-L238 PolarHBondContact NE2-OXT 3.09Å
215P97.2Very high97Very high55 Ų5557.7 Ų57.736%0.35732%0.316SS..EExtended strand (participates in β ladder)trans-72.6153.1167.330.8-31.5000110.8L217 A218 C219P215-L217 VanDerWaalsContact C-N 3.28Å; P215-L217 PolarHBondContact O-N 3.19Å; P215-A218 HydrophobicContact CG-CB 3.72Å; P215-A218 PolarHBondContact O-N 2.87Å; P215-C219 PolarHBondContact O-N 2.76Å
216S96.2Very high97.2Very high27 Ų2757.3 Ų57.319%0.18931%0.313CS..Hα-helixtrans-60.5-34.9178.251.20000113.4D22 C219 A220D22-S216 WeakPolarHBondContact OD2-CB 3.29Å; D22-S216 PolarHBondContact OD2-OG 3.4Å; S216-C219 WeakPolarHBondContact O-CB 3.45Å; S216-C219 PolarHBondContact O-N 3.44Å; S216-A220 WeakPolarHBondContact O-CB 3.22Å; S216-A220 PolarHBondContact O-N 2.73Å
217L95.9Very high97.3Very high83 Ų8351.6 Ų51.644%0.43529%0.286SS..Hα-helixtrans-60.6-46.3174.7-179.161.5000112.7E26 P215 C219 A220 E221E26-L217 HydrophobicContact CG-CD1 4.46Å; E26-L217 WeakPolarHBondContact OE1-CD1 3.49Å; P215-L217 VanDerWaalsContact C-N 3.28Å; P215-L217 PolarHBondContact O-N 3.19Å; L217-C219 VanDerWaalsContact C-N 3.29Å; L217-C219 PolarHBondContact O-N 2.84Å; L217-A220 WeakPolarHBondContact O-CB 3.16Å; L217-A220 PolarHBondContact O-N 2.9Å; L217-A220 VanDerWaalsContact O-N 3.1Å; L217-E221 HydrophobicContact CD1-CG 4.39Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 3.3Å
218A98Very high97.3Very high27 Ų2750 Ų5022%0.22328%0.28CS..Hα-helixtrans-64.2-37.7178.400000111.5P215 N222P215-A218 HydrophobicContact CG-CB 3.72Å; P215-A218 PolarHBondContact O-N 2.87Å; A218-N222 PolarHBondContact O-N 3.14Å; A218-N222 PolarHBondContact O-ND2 3.09Å
219C98.3Very high97.5Very high0 Ų052.3 Ų52.30%029%0.292CS..Hα-helixtrans-62-44.7172.2-176.10000110.9I19 T186 Q214 P215 S216 L217 N222 F223I19-C219 HydrophobicContact CG2-CB 4.49Å; T186-C219 HydrophobicContact CG2-CB 4.03Å; Q214-C219 HydrophobicContact CG-CB 4.49Å; P215-C219 PolarHBondContact O-N 2.76Å; S216-C219 WeakPolarHBondContact O-CB 3.45Å; S216-C219 PolarHBondContact O-N 3.44Å; L217-C219 VanDerWaalsContact C-N 3.29Å; L217-C219 PolarHBondContact O-N 2.84Å; C219-N222 PolarHBondContact O-N 3.32Å; C219-F223 VanDerWaalsContact O-CB 3.3Å; C219-F223 WeakPolarHBondContact O-CB 3.45Å; C219-F223 PolarHBondContact O-N 3.25Å
220A98.2Very high97.6Very high0 Ų051.4 Ų51.40%029%0.287CS..Hα-helixtrans-64.2-43.1-179.200000113D22 E26 S216 L217 N222 F223 V224D22-A220 VanDerWaalsContact C-CB 3.42Å; D22-A220 HydrophobicContact CB-CB 3.7Å; E26-A220 HydrophobicContact CB-CB 4.48Å; E26-A220 HydrophobicContact CG-CB 3.77Å; S216-A220 WeakPolarHBondContact O-CB 3.22Å; S216-A220 PolarHBondContact O-N 2.73Å; L217-A220 WeakPolarHBondContact O-CB 3.16Å; L217-A220 PolarHBondContact O-N 2.9Å; L217-A220 VanDerWaalsContact O-N 3.1Å; A220-N222 VanDerWaalsContact C-N 3.35Å; A220-N222 PolarHBondContact O-N 2.92Å; A220-F223 WeakPolarHBondContact O-CB 3.35Å; A220-F223 PolarHBondContact O-N 3.06Å; A220-V224 PolarHBondContact O-N 3.32Å
221E98.3Very high97.7Very high91 Ų9152 Ų5243%0.42528%0.276SS..Hα-helixtrans-59.9-46.6176.2-71.7175.1154.500111.1E26 L217 F223 V224 K225E26-E221 HydrophobicContact CG-CG 4.29Å; L217-E221 HydrophobicContact CD1-CG 4.39Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 3.3Å; E221-F223 VanDerWaalsContact C-N 3.33Å; E221-V224 PolarHBondContact O-N 2.94Å; E221-K225 WeakPolarHBondContact O-CB 3.37Å; E221-K225 PolarHBondContact O-N 3.04Å
222N98.4Very high97.8Very high67 Ų6749.3 Ų49.336%0.35827%0.266SS..Hα-helixtrans-68.5-32.5176.4-72.8-45.2000112.6A218 C219 A220 K225 A226 L238A218-N222 PolarHBondContact O-N 3.14Å; A218-N222 PolarHBondContact O-ND2 3.09Å; C219-N222 PolarHBondContact O-N 3.32Å; A220-N222 VanDerWaalsContact C-N 3.35Å; A220-N222 PolarHBondContact O-N 2.92Å; N222-K225 PolarHBondContact O-N 3.41Å; N222-A226 WeakPolarHBondContact O-CB 3.49Å; N222-A226 PolarHBondContact O-N 2.96Å; N222-L238 HydrophobicContact CB-CD1 4.14Å; N222-L238 HydrophobicContact CB-CD2 3.96Å; N222-L238 HydrophobicContact CB-CG 4.47Å
223F98.5Very high97.8Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-60.3-53173.7-162-56.7000110.4I19 T23 I91 C136 I138 V181 C219 A220 E221 K225 A226 I227 L238I19-F223 HydrophobicContact CG2-CD2 4.41Å; T23-F223 HydrophobicContact CG2-CB 4.09Å; T23-F223 HydrophobicContact CG2-CD1 3.7Å; T23-F223 HydrophobicContact CG2-CD2 4.27Å; T23-F223 HydrophobicContact CG2-CE1 4.23Å; T23-F223 HydrophobicContact CG2-CG 3.75Å; I91-F223 HydrophobicContact CG2-CE1 4.23Å; I91-F223 HydrophobicContact CG2-CZ 3.9Å; C136-F223 WeakPolarHBondContact SG-CE1 3.22Å; C136-F223 VanDerWaalsContact SG-CZ 3.57Å; I138-F223 HydrophobicContact CD1-CE2 3.45Å; I138-F223 VanDerWaalsContact CD1-CE2 3.45Å; I138-F223 HydrophobicContact CD1-CZ 3.7Å; I138-F223 HydrophobicContact CG1-CE2 3.58Å; I138-F223 HydrophobicContact CG1-CZ 3.62Å; I138-F223 HydrophobicContact CG2-CE2 4.48Å; V181-F223 HydrophobicContact CB-CD2 4.26Å; V181-F223 HydrophobicContact CB-CE2 3.91Å; V181-F223 HydrophobicContact CB-CZ 4.09Å; V181-F223 HydrophobicContact CG1-CD2 3.58Å; V181-F223 HydrophobicContact CG1-CE2 3.68Å; V181-F223 HydrophobicContact CG1-CG 4.09Å; V181-F223 HydrophobicContact CG1-CZ 4.3Å; V181-F223 HydrophobicContact CG2-CD1 4.45Å; V181-F223 HydrophobicContact CG2-CE1 4.2Å; V181-F223 HydrophobicContact CG2-CE2 4.36Å; V181-F223 HydrophobicContact CG2-CZ 4.15Å; C219-F223 VanDerWaalsContact O-CB 3.3Å; C219-F223 WeakPolarHBondContact O-CB 3.45Å; C219-F223 PolarHBondContact O-N 3.25Å; A220-F223 WeakPolarHBondContact O-CB 3.35Å; A220-F223 PolarHBondContact O-N 3.06Å; E221-F223 VanDerWaalsContact C-N 3.33Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.78Å; F223-A226 WeakPolarHBondContact O-CB 3.26Å; F223-A226 PolarHBondContact O-N 3.19Å; F223-I227 HydrophobicContact CD1-CD1 3.72Å; F223-I227 HydrophobicContact CD1-CG1 3.99Å; F223-I227 HydrophobicContact CE1-CD1 3.75Å; F223-I227 HydrophobicContact CE1-CG1 4.01Å; F223-I227 PolarHBondContact O-N 3.11Å; F223-L238 HydrophobicContact CB-CD1 3.98Å; F223-L238 HydrophobicContact CD2-CD1 4.4Å
224V98.3Very high97.9Very high0 Ų043.5 Ų43.50%024%0.236CC..Hα-helixtrans-65.8-36.1-178.6-179.10000111.2L5 T23 E26 L27 R30 A220 E221 A226 I227 E228L5-V224 HydrophobicContact CD1-CG1 3.76Å; T23-V224 HydrophobicContact CG2-CG2 4.17Å; E26-V224 HydrophobicContact CB-CB 4.45Å; E26-V224 HydrophobicContact CB-CG2 3.58Å; L27-V224 HydrophobicContact CD2-CG1 4.22Å; L27-V224 HydrophobicContact CD2-CG2 4Å; L27-V224 HydrophobicContact CG-CG2 3.94Å; R30-V224 HydrophobicContact CG-CG1 4.49Å; R30-V224 VanDerWaalsContact NE-CG1 3.28Å; A220-V224 PolarHBondContact O-N 3.32Å; E221-V224 PolarHBondContact O-N 2.94Å; V224-A226 VanDerWaalsContact C-N 3.31Å; V224-A226 PolarHBondContact O-N 2.87Å; V224-I227 WeakPolarHBondContact O-CB 3.33Å; V224-I227 PolarHBondContact O-N 3.07Å; V224-I227 VanDerWaalsContact O-N 3.12Å; V224-E228 HydrophobicContact CG1-CG 4.44Å; V224-E228 WeakPolarHBondContact O-CG 3.17Å; V224-E228 PolarHBondContact O-N 2.98Å
225K97.9Very high97.9Very high121 Ų12146.2 Ų46.253%0.52625%0.251SS..Hα-helixtrans-58.8-41.6170.8-174.3177.1-179.3178.70112.2E221 N222 F223 I227 E228 L229E221-K225 WeakPolarHBondContact O-CB 3.37Å; E221-K225 PolarHBondContact O-N 3.04Å; N222-K225 PolarHBondContact O-N 3.41Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.78Å; K225-I227 VanDerWaalsContact C-N 3.3Å; K225-I227 PolarHBondContact O-N 3.28Å; K225-E228 PolarHBondContact O-N 3.19Å; K225-L229 HydrophobicContact CG-CD1 4.49Å; K225-L229 VanDerWaalsContact O-CG 3.32Å; K225-L229 WeakPolarHBondContact O-CG 3.3Å; K225-L229 PolarHBondContact O-N 3.47Å
226A98Very high98Very high3 Ų346.1 Ų46.13%0.02524%0.243CC..Hα-helixtrans-62.8-37.3175.600000112.1V181 N222 F223 V224 L229 N230 W236V181-A226 HydrophobicContact CG2-CB 4.14Å; N222-A226 WeakPolarHBondContact O-CB 3.49Å; N222-A226 PolarHBondContact O-N 2.96Å; F223-A226 WeakPolarHBondContact O-CB 3.26Å; F223-A226 PolarHBondContact O-N 3.19Å; V224-A226 VanDerWaalsContact C-N 3.31Å; V224-A226 PolarHBondContact O-N 2.87Å; A226-L229 PolarHBondContact O-N 3.18Å; A226-N230 PolarHBondContact O-N 3.46Å; A226-W236 HydrophobicContact CB-CB 4.38Å; A226-W236 HydrophobicContact CB-CD2 4.1Å; A226-W236 HydrophobicContact CB-CG 3.83Å
227I97.8Very high98.1Very high1 Ų152.5 Ų52.51%0.00527%0.268CS..Hα-helixtrans-63.5-47.4173.3-61.9170.3000111.1F3 L5 L27 I91 Y179 F223 V224 K225 L229 N230F3-I227 WeakPolarHBondContact CD1-O 3.43Å; F3-I227 HydrophobicContact CE1-CG2 4.03Å; L5-I227 HydrophobicContact CD1-CG2 4.14Å; L5-I227 HydrophobicContact CD2-CG2 3.89Å; L5-I227 HydrophobicContact CG-CG2 4.26Å; L27-I227 HydrophobicContact CD2-CD1 3.92Å; I91-I227 HydrophobicContact CD1-CD1 3.86Å; Y179-I227 WeakPolarHBondContact OH-CA 3.32Å; F223-I227 HydrophobicContact CD1-CD1 3.72Å; F223-I227 HydrophobicContact CD1-CG1 3.99Å; F223-I227 HydrophobicContact CE1-CD1 3.75Å; F223-I227 HydrophobicContact CE1-CG1 4.01Å; F223-I227 PolarHBondContact O-N 3.11Å; V224-I227 WeakPolarHBondContact O-CB 3.33Å; V224-I227 PolarHBondContact O-N 3.07Å; V224-I227 VanDerWaalsContact O-N 3.12Å; K225-I227 VanDerWaalsContact C-N 3.3Å; K225-I227 PolarHBondContact O-N 3.28Å; I227-L229 VanDerWaalsContact C-N 3.28Å; I227-L229 PolarHBondContact O-N 2.93Å; I227-N230 WeakPolarHBondContact O-CA 3.39Å; I227-N230 WeakPolarHBondContact O-CB 3.13Å; I227-N230 PolarHBondContact O-N 2.72Å
228E97.3Very high98Very high63 Ų6350.7 Ų50.729%0.29426%0.258SS..Hα-helixtrans-63.7-32-179.6-71168.6168.300112.5L5 R30 V224 K225 N230L5-E228 HydrophobicContact CD1-CG 3.97Å; L5-E228 HydrophobicContact CG-CG 4.46Å; R30-E228 VanDerWaalsContact CG-OE1 3.32Å; R30-E228 WeakPolarHBondContact CG-OE1 3.4Å; R30-E228 IonicContact CZ-OE1 2.94Å; R30-E228 IonicContact NE-OE1 3.86Å; R30-E228 PolarHBondContact NE-OE1 3.42Å; R30-E228 IonicContact NH2-OE1 3.86Å; V224-E228 HydrophobicContact CG1-CG 4.44Å; V224-E228 WeakPolarHBondContact O-CG 3.17Å; V224-E228 PolarHBondContact O-N 2.98Å; K225-E228 PolarHBondContact O-N 3.19Å; E228-N230 VanDerWaalsContact C-N 3.3Å; E228-N230 PolarHBondContact O-N 3.31Å
229L97.7Very high98Very high80 Ų8051.9 Ų51.942%0.41926%0.26SS..Hα-helixtrans-67.1-30.3173.2-72.4171.7000112.8K225 A226 I227 Q231 W236K225-L229 HydrophobicContact CG-CD1 4.49Å; K225-L229 VanDerWaalsContact O-CG 3.32Å; K225-L229 WeakPolarHBondContact O-CG 3.3Å; K225-L229 PolarHBondContact O-N 3.47Å; A226-L229 PolarHBondContact O-N 3.18Å; I227-L229 VanDerWaalsContact C-N 3.28Å; I227-L229 PolarHBondContact O-N 2.93Å; L229-Q231 HydrophobicContact CB-CG 4.34Å; L229-Q231 WeakPolarHBondContact O-CG 3.32Å; L229-Q231 PolarHBondContact O-N 3.05Å; L229-W236 HydrophobicContact CB-CH2 4.36Å; L229-W236 HydrophobicContact CB-CZ2 4.01Å; L229-W236 HydrophobicContact CD1-CH2 3.46Å; L229-W236 VanDerWaalsContact CD1-CH2 3.46Å; L229-W236 HydrophobicContact CD1-CZ2 3.87Å; L229-W236 HydrophobicContact CD1-CZ3 3.97Å
230N97.2Very high97.9Very high46 Ų4654.6 Ų54.625%0.24627%0.274CS..  trans43.853.1174.2-169.733.1000114.6F3 I134 A226 I227 E228F3-N230 HydrophobicContact CB-CB 3.44Å; F3-N230 VanDerWaalsContact CB-CB 3.44Å; F3-N230 HydrophobicContact CD1-CB 4.01Å; F3-N230 HydrophobicContact CG-CB 3.76Å; I134-N230 WeakPolarHBondContact CD1-OD1 3.36Å; A226-N230 PolarHBondContact O-N 3.46Å; I227-N230 WeakPolarHBondContact O-CA 3.39Å; I227-N230 WeakPolarHBondContact O-CB 3.13Å; I227-N230 PolarHBondContact O-N 2.72Å; E228-N230 VanDerWaalsContact C-N 3.3Å; E228-N230 PolarHBondContact O-N 3.31Å
231Q98.4Very high97.9Very high98 Ų9857.7 Ų57.746%0.45829%0.289SS..  trans-96.5105.4-178.2-64.1-177.1400110.5L229 G233 A234 W236L229-Q231 HydrophobicContact CB-CG 4.34Å; L229-Q231 WeakPolarHBondContact O-CG 3.32Å; L229-Q231 PolarHBondContact O-N 3.05Å; Q231-G233 PolarHBondContact O-N 3.22Å; Q231-A234 HydrophobicContact CB-CB 3.82Å; Q231-A234 WeakPolarHBondContact O-CB 3.34Å; Q231-A234 PolarHBondContact O-N 3.34Å; Q231-A234 VanDerWaalsContact O-N 3.07Å; Q231-W236 HydrophobicContact CB-CZ2 4.03Å; Q231-W236 HydrophobicContact CG-CZ2 4.06Å
232N98.8Very high97.9Very high72 Ų7255.7 Ų55.739%0.38528%0.281SS..THydrogen-bonded Turntrans-55.7131175.8-176.651.8000111.1A168 T177 A178 A234A168-N232 WeakPolarHBondContact CA-OD1 3.35Å; A168-N232 WeakPolarHBondContact CB-OD1 3.38Å; A168-N232 PolarHBondContact O-ND2 2.84Å; T177-N232 VanDerWaalsContact CA-OD1 3.29Å; T177-N232 WeakPolarHBondContact CA-OD1 3.37Å; T177-N232 VanDerWaalsContact CB-OD1 3.31Å; T177-N232 WeakPolarHBondContact CB-OD1 3.32Å; T177-N232 HydrophobicContact CG2-CB 3.91Å; A178-N232 PolarHBondContact N-OD1 3.12Å; A178-N232 PolarHBondContact O-OD1 3.08Å; N232-A234 VanDerWaalsContact C-N 3.27Å; N232-A234 PolarHBondContact O-N 3.32Å
233G98.5Very high97.9Very high33 Ų3355 Ų5534%0.3428%0.276SS..THydrogen-bonded Turntrans80.7-0.1-179.100000115A178 Q231A178-G233 PolarHBondContact O-N 3.35Å; Q231-G233 PolarHBondContact O-N 3.22Å
234A98.8Very high97.8Very high16 Ų1658.7 Ų58.713%0.13230%0.295CS..  trans-64.3145.7177.800000112.4Y179 T180 Q231 N232 W236Y179-A234 WeakPolarHBondContact CA-O 3.16Å; Y179-A234 VanDerWaalsContact CB-O 3.25Å; Y179-A234 WeakPolarHBondContact CB-O 3.26Å; T180-A234 PolarHBondContact N-O 2.84Å; Q231-A234 HydrophobicContact CB-CB 3.82Å; Q231-A234 WeakPolarHBondContact O-CB 3.34Å; Q231-A234 PolarHBondContact O-N 3.34Å; Q231-A234 VanDerWaalsContact O-N 3.07Å; N232-A234 VanDerWaalsContact C-N 3.27Å; N232-A234 PolarHBondContact O-N 3.32Å; A234-W236 HydrophobicContact CB-CD2 4.28Å; A234-W236 HydrophobicContact CB-CZ2 3.79Å; A234-W236 VanDerWaalsContact CB-NE1 3.33Å
235I98.7Very high97.8Very high87 Ų8762.9 Ų62.945%0.44632%0.316SS..EExtended strand (participates in β ladder)trans-120.990174.9-57.8177.7000106.3F144F144-I235 HydrophobicContact CE1-CG2 3.51Å; F144-I235 HydrophobicContact CZ-CG2 3.41Å; F144-I235 VanDerWaalsContact CZ-CG2 3.41Å
236W98.6Very high97.8Very high54 Ų5458.4 Ų58.421%0.20530%0.299CS..EExtended strand (participates in β ladder)trans-82.5122.5-176.4-60107.3000109.9T180 V181 N182 A226 L229 Q231 A234 L238T180-W236 WeakPolarHBondContact O-CB 3.25Å; T180-W236 PolarHBondContact O-N 3.41Å; V181-W236 HydrophobicContact CG2-CB 4.46Å; N182-W236 WeakPolarHBondContact CA-O 3.21Å; N182-W236 VanDerWaalsContact CB-O 3.26Å; N182-W236 WeakPolarHBondContact CB-O 3.33Å; N182-W236 PolarHBondContact N-O 3.24Å; N182-W236 PolarHBondContact ND2-O 3.39Å; A226-W236 HydrophobicContact CB-CB 4.38Å; A226-W236 HydrophobicContact CB-CD2 4.1Å; A226-W236 HydrophobicContact CB-CG 3.83Å; L229-W236 HydrophobicContact CB-CH2 4.36Å; L229-W236 HydrophobicContact CB-CZ2 4.01Å; L229-W236 HydrophobicContact CD1-CH2 3.46Å; L229-W236 VanDerWaalsContact CD1-CH2 3.46Å; L229-W236 HydrophobicContact CD1-CZ2 3.87Å; L229-W236 HydrophobicContact CD1-CZ3 3.97Å; Q231-W236 HydrophobicContact CB-CZ2 4.03Å; Q231-W236 HydrophobicContact CG-CZ2 4.06Å; A234-W236 HydrophobicContact CB-CD2 4.28Å; A234-W236 HydrophobicContact CB-CZ2 3.79Å; A234-W236 VanDerWaalsContact CB-NE1 3.33Å; W236-L238 HydrophobicContact CB-CD2 4.19Å
237K98.2Very high97.8Very high160 Ų16063 Ų6370%0.69632%0.322SS*.EExtended strand (participates in β ladder)trans-93.9123.2165.5-174.9178.372159.60108.2V141V141-K237 HydrophobicContact CG1-CD 4.13Å; V141-K237 HydrophobicContact CG1-CG 3.81Å
238L93.6Very high97.8Very high46 Ų4668.6 Ų68.624%0.24135%0.351CS..  trans-108.50176.6-49.8-168.5000111.5V181 N182 G184 Q214 N222 F223 W236V181-L238 HydrophobicContact CG1-CD1 3.2Å; V181-L238 HydrophobicContact CG1-CD2 4.39Å; V181-L238 HydrophobicContact CG1-CG 3.61Å; N182-L238 PolarHBondContact O-N 2.84Å; N182-L238 VanDerWaalsContact O-N 3.08Å; G184-L238 PolarHBondContact N-O 3.08Å; Q214-L238 PolarHBondContact NE2-O 3.19Å; Q214-L238 VanDerWaalsContact NE2-O 3.1Å; Q214-L238 PolarHBondContact NE2-OXT 3.09Å; N222-L238 HydrophobicContact CB-CD1 4.14Å; N222-L238 HydrophobicContact CB-CD2 3.96Å; N222-L238 HydrophobicContact CB-CG 4.47Å; F223-L238 HydrophobicContact CB-CD1 3.98Å; F223-L238 HydrophobicContact CD2-CD1 4.4Å; W236-L238 HydrophobicContact CB-CD2 4.19Å

Retrieved 238 of 238 residues in 192 ms (Link to these results)

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