A0A096MMH3_PAPAN Loading...

Transmembrane protein 215

AlphaFold DB , UniProt , Accession A0A096MMH3, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM215, Length 235 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
1M51.2Low60.2Low243 Ų243126.9 Ų126.9100%1.19766%0.656SS**  0146.60-73.4150.9160.400108
2R49.8Very low61.3Low213 Ų213125.3 Ų125.380%0.80465%0.649SS**  trans-81.2139.8167.4-75.3-177.4176.1147.3-1.6108.7D4R2-D4 PolarHBondContact O-N 2.73Å
3P56.7Low62.3Low95 Ų95119.1 Ų119.162%0.61762%0.619SS**G310 helixtrans-71.2-19.8178.630.1-35.2000112.9D5 I6P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 3.35Å; P3-I6 WeakPolarHBondContact O-CG1 3.23Å; P3-I6 PolarHBondContact O-N 3.35Å
4D54.5Low63.4Low138 Ų138116.9 Ų116.974%0.73861%0.614SS**G310 helixtrans-76.6-6.5-168.4-39.7-86.5000114.5R2R2-D4 PolarHBondContact O-N 2.73Å
5D55.2Low64.2Low137 Ų137112.3 Ų112.373%0.73360%0.599SS**G310 helixtrans-98.810.4-179.4-158.421.2000112.6P3 N7P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 3.35Å; D5-N7 PolarHBondContact O-N 2.66Å
6I60.7Low64.6Low112 Ų112110.4 Ų110.457%0.57459%0.588SS**  trans-73.6101.2172.3-62.4174.6000108.5P3P3-I6 WeakPolarHBondContact O-CG1 3.23Å; P3-I6 PolarHBondContact O-N 3.35Å
7N64.4Low65.2Low97 Ų97106.7 Ų106.752%0.51957%0.571SS.*  trans-43.5121.5171.2-94.7-101.3000110.6D5 R9 T10 G11D5-N7 PolarHBondContact O-N 2.66Å; N7-R9 PolarHBondContact O-N 3.48Å; N7-R9 VanDerWaalsContact O-N 3.1Å; N7-T10 WeakPolarHBondContact O-CA 3.3Å; N7-T10 VanDerWaalsContact O-CB 3.31Å; N7-T10 WeakPolarHBondContact O-CB 3.4Å; N7-T10 PolarHBondContact O-N 3.45Å; N7-G11 PolarHBondContact O-N 3.29Å; N7-G11 VanDerWaalsContact O-N 3.08Å
8P62.3Low65.9Low108 Ų108104.1 Ų104.170%0.70156%0.562SS**Hα-helixtrans-64.8-24.2-170.822.9-33.5000112.8G11 L12P8-G11 PolarHBondContact O-N 3.13Å; P8-L12 WeakPolarHBondContact O-CB 3.43Å; P8-L12 PolarHBondContact O-N 3.26Å
9R65.7Low66.6Low143 Ų143102.4 Ų102.454%0.5456%0.556SS.*Hα-helixtrans-62.5-41.3169.5-67.5177.4168.9-146.7-12112.1N7 V13 E64 G65N7-R9 PolarHBondContact O-N 3.48Å; N7-R9 VanDerWaalsContact O-N 3.1Å; R9-V13 WeakPolarHBondContact O-CB 3.43Å; R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.16Å; R9-V13 PolarHBondContact O-N 3.18Å; R9-E64 PolarHBondContact NH1-O 3.08Å; R9-G65 PolarHBondContact NH1-O 3.33Å; R9-G65 VanDerWaalsContact NH1-O 3.08Å; R9-G65 PolarHBondContact NH2-O 3.48Å
10T69.1Low66.8Low81 Ų81100.6 Ų100.650%0.49754%0.542SS..Hα-helixtrans-68.9-43.4175.5-51.70000110.8N7 L12 V13 V14N7-T10 WeakPolarHBondContact O-CA 3.3Å; N7-T10 VanDerWaalsContact O-CB 3.31Å; N7-T10 WeakPolarHBondContact O-CB 3.4Å; N7-T10 PolarHBondContact O-N 3.45Å; T10-L12 PolarHBondContact O-N 3.46Å; T10-V13 PolarHBondContact O-N 3.24Å; T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 WeakPolarHBondContact O-CB 3.39Å; T10-V14 VanDerWaalsContact O-CG2 3.32Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.33Å
11G72.9Confident67.1Low29 Ų29100.6 Ų100.630%0.29954%0.541SS..Hα-helixtrans-57.6-47.9174.200000112.6N7 P8 V14 A15N7-G11 PolarHBondContact O-N 3.29Å; N7-G11 VanDerWaalsContact O-N 3.08Å; P8-G11 PolarHBondContact O-N 3.13Å; G11-V14 PolarHBondContact O-N 3.18Å; G11-A15 WeakPolarHBondContact O-CB 3.05Å; G11-A15 PolarHBondContact O-N 3.23Å
12L73Confident68.3Low108 Ų10893 Ų9357%0.56551%0.508SS*.Hα-helixtrans-61.8-44.5176.4-178.765.5000112.4P8 T10 A15 L16P8-L12 WeakPolarHBondContact O-CB 3.43Å; P8-L12 PolarHBondContact O-N 3.26Å; T10-L12 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CD1-CD1 4.3Å; L12-L16 HydrophobicContact CD1-CG 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.39Å
13V75.1Confident69.4Low44 Ų4488.4 Ų88.427%0.26750%0.495SS..Hα-helixtrans-61.9-44.8176.3163.50000111R9 T10 L16 V17 I57R9-V13 WeakPolarHBondContact O-CB 3.43Å; R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.16Å; R9-V13 PolarHBondContact O-N 3.18Å; T10-V13 PolarHBondContact O-N 3.24Å; V13-L16 PolarHBondContact O-N 2.91Å; V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CB 3.38Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.96Å; V13-I57 HydrophobicContact CG1-CG1 4.34Å; V13-I57 HydrophobicContact CG1-CG2 3.95Å
14V77.3Confident70.2Confident89 Ų8984 Ų8454%0.53947%0.467SS..Hα-helixtrans-66.1-37.6178.4171.10000111.8T10 G11 V17 S18T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 WeakPolarHBondContact O-CB 3.39Å; T10-V14 VanDerWaalsContact O-CG2 3.32Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.33Å; G11-V14 PolarHBondContact O-N 3.18Å; V14-V17 PolarHBondContact O-N 2.94Å; V14-S18 WeakPolarHBondContact O-CB 3.3Å; V14-S18 PolarHBondContact O-N 3.46Å; V14-S18 PolarHBondContact O-OG 2.92Å
15A74.6Confident71Confident48 Ų4884.2 Ų84.240%0.39746%0.461SS..Hα-helixtrans-66.6-41.6175.200000112.6G11 L12 S18 V19G11-A15 WeakPolarHBondContact O-CB 3.05Å; G11-A15 PolarHBondContact O-N 3.23Å; L12-A15 PolarHBondContact O-N 2.94Å; A15-S18 PolarHBondContact O-N 3.45Å; A15-S18 PolarHBondContact O-OG 3.38Å; A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 2.8Å; A15-V19 VanDerWaalsContact O-N 3.13Å
16L71.7Confident71.9Confident81 Ų8183.4 Ų83.442%0.42446%0.455SS..Hα-helixtrans-66.8-42.9174.1-69.3170.8000111.2L12 V13 S18 V19 F20L12-L16 HydrophobicContact CD1-CD1 4.3Å; L12-L16 HydrophobicContact CD1-CG 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.39Å; V13-L16 PolarHBondContact O-N 2.91Å; L16-S18 PolarHBondContact O-N 2.83Å; L16-V19 PolarHBondContact O-N 3.38Å; L16-F20 WeakPolarHBondContact O-CD2 3.31Å; L16-F20 PolarHBondContact O-N 3.39Å
17V74.8Confident72.3Confident48 Ų4881.1 Ų81.129%0.29144%0.441SS..Hα-helixtrans-54.3-49.8172.4165.90000111.1V13 V14 V19 F20 L21 I57V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CB 3.38Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.96Å; V14-V17 PolarHBondContact O-N 2.94Å; V17-V19 PolarHBondContact O-N 2.8Å; V17-F20 PolarHBondContact O-N 3.31Å; V17-L21 HydrophobicContact CG1-CD1 3.55Å; V17-L21 HydrophobicContact CG1-CG 4.11Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.26Å; V17-L21 PolarHBondContact O-N 2.93Å; V17-I57 HydrophobicContact CG2-CD1 3.29Å; V17-I57 HydrophobicContact CG2-CG1 4.22Å
18S78.2Confident72.3Confident59 Ų5978.3 Ų78.341%0.41343%0.427SS..Hα-helixtrans-66.1-40.6-175.765.80000111.9V14 A15 L16 V22V14-S18 WeakPolarHBondContact O-CB 3.3Å; V14-S18 PolarHBondContact O-N 3.46Å; V14-S18 PolarHBondContact O-OG 2.92Å; A15-S18 PolarHBondContact O-N 3.45Å; A15-S18 PolarHBondContact O-OG 3.38Å; L16-S18 PolarHBondContact O-N 2.83Å; S18-V22 VanDerWaalsContact O-CB 3.31Å; S18-V22 WeakPolarHBondContact O-CB 3.22Å; S18-V22 VanDerWaalsContact O-CG2 3.22Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å; S18-V22 PolarHBondContact O-N 3.09Å
19V78.1Confident72.6Confident73 Ų7376.5 Ų76.544%0.44241%0.414SS..Hα-helixtrans-60.6-52.4174.3171.70000111A15 L16 V17 L21 V22 F23A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 2.8Å; A15-V19 VanDerWaalsContact O-N 3.13Å; L16-V19 PolarHBondContact O-N 3.38Å; V17-V19 PolarHBondContact O-N 2.8Å; V19-L21 PolarHBondContact O-N 3.49Å; V19-V22 PolarHBondContact O-N 3Å; V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.3Å; V19-F23 PolarHBondContact O-N 3.42Å
20F71.1Confident72.5Confident65 Ų6571.7 Ų71.729%0.28540%0.402SS..Hα-helixtrans-63.8-40.6179.9-75.3-63000112.6L16 V17 G24 I49 C50L16-F20 WeakPolarHBondContact O-CD2 3.31Å; L16-F20 PolarHBondContact O-N 3.39Å; V17-F20 PolarHBondContact O-N 3.31Å; F20-G24 WeakPolarHBondContact O-CA 3.5Å; F20-G24 PolarHBondContact O-N 2.66Å; F20-I49 HydrophobicContact CD1-CG2 4.06Å; F20-I49 WeakPolarHBondContact CD1-O 3.31Å; F20-I49 HydrophobicContact CE1-CG2 4.43Å; F20-C50 PolarHBondContact O-SG 3.46Å; F20-C50 VanDerWaalsContact O-SG 3.36Å
21L72.6Confident72.1Confident101 Ų10168.4 Ų68.453%0.52938%0.384SS..Hα-helixtrans-68.3-39.9177.3-72-179.2000112.6V17 V19 F25V17-L21 HydrophobicContact CG1-CD1 3.55Å; V17-L21 HydrophobicContact CG1-CG 4.11Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.26Å; V17-L21 PolarHBondContact O-N 2.93Å; V19-L21 PolarHBondContact O-N 3.49Å; L21-F25 WeakPolarHBondContact O-CB 3.47Å; L21-F25 PolarHBondContact O-N 3.25Å
22V77.4Confident71.4Confident83 Ų8374.2 Ų74.250%0.50341%0.406SS..Hα-helixtrans-66.8-51.5178.2168.50000110.6S18 V19 F25 M26S18-V22 VanDerWaalsContact O-CB 3.31Å; S18-V22 WeakPolarHBondContact O-CB 3.22Å; S18-V22 VanDerWaalsContact O-CG2 3.22Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å; S18-V22 PolarHBondContact O-N 3.09Å; V19-V22 PolarHBondContact O-N 3Å; V22-F25 PolarHBondContact O-N 3.16Å; V22-M26 HydrophobicContact CG1-SD 4.49Å; V22-M26 WeakPolarHBondContact O-CG 3.09Å; V22-M26 PolarHBondContact O-N 2.87Å
23F72.3Confident70.9Confident117 Ų11776.5 Ų76.551%0.51341%0.411SS..Hα-helixtrans-65.2-42.8178.3-78.8-71.4000112.1V19 F25 M26 F27V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.3Å; V19-F23 PolarHBondContact O-N 3.42Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.03Å; F23-M26 PolarHBondContact O-N 3.33Å; F23-F27 VanDerWaalsContact O-CD2 3.3Å; F23-F27 WeakPolarHBondContact O-CD2 3.43Å; F23-F27 PolarHBondContact O-N 2.73Å
24G72.6Confident70Confident4 Ų477 Ų774%0.04143%0.425CS..Hα-helixtrans-62.2-37.6175.500000113.2F20 T28F20-G24 WeakPolarHBondContact O-CA 3.5Å; F20-G24 PolarHBondContact O-N 2.66Å; G24-T28 WeakPolarHBondContact O-CB 3.46Å; G24-T28 WeakPolarHBondContact O-CG2 3.45Å; G24-T28 PolarHBondContact O-N 3.13Å; G24-T28 PolarHBondContact O-OG1 3.05Å
25F73.1Confident69Low141 Ų14176.4 Ų76.462%0.61842%0.417SS*.Hα-helixtrans-66.6-46.3173.5-177.2-108.5000111.6L21 V22 F23 F27 T28 V29L21-F25 WeakPolarHBondContact O-CB 3.47Å; L21-F25 PolarHBondContact O-N 3.25Å; V22-F25 PolarHBondContact O-N 3.16Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.03Å; F25-F27 PolarHBondContact O-N 2.86Å; F25-T28 WeakPolarHBondContact CA-OG1 3.03Å; F25-T28 PolarHBondContact O-N 2.99Å; F25-T28 PolarHBondContact O-OG1 3.45Å; F25-T28 VanDerWaalsContact O-OG1 3.09Å; F25-V29 HydrophobicContact CD1-CG2 4.19Å; F25-V29 HydrophobicContact CD2-CG2 4.07Å; F25-V29 HydrophobicContact CE1-CG2 3.84Å; F25-V29 HydrophobicContact CE2-CG2 3.71Å; F25-V29 HydrophobicContact CG-CG2 4.3Å; F25-V29 HydrophobicContact CZ-CG2 3.58Å; F25-V29 WeakPolarHBondContact O-CB 3.38Å; F25-V29 VanDerWaalsContact O-CG2 3.31Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 3.39Å
26M72.6Confident68.1Low121 Ų12178 Ų7860%0.59642%0.422SS*.Hα-helixtrans-61.9-43176.3-66.6-169.782.600112.1V22 F23 T28 V29 S30V22-M26 HydrophobicContact CG1-SD 4.49Å; V22-M26 WeakPolarHBondContact O-CG 3.09Å; V22-M26 PolarHBondContact O-N 2.87Å; F23-M26 PolarHBondContact O-N 3.33Å; M26-T28 PolarHBondContact O-N 3.21Å; M26-V29 PolarHBondContact O-N 2.84Å; M26-S30 PolarHBondContact O-N 3.44Å
27F68.8Low67.1Low64 Ų6480.5 Ų80.528%0.28144%0.435SS..Hα-helixtrans-64.8-35.4174.8-86.5-65000113.5F23 F25 G31 L42 I45 I49F23-F27 VanDerWaalsContact O-CD2 3.3Å; F23-F27 WeakPolarHBondContact O-CD2 3.43Å; F23-F27 PolarHBondContact O-N 2.73Å; F25-F27 PolarHBondContact O-N 2.86Å; F27-G31 PolarHBondContact O-N 2.76Å; F27-L42 HydrophobicContact CD1-CB 4.47Å; F27-L42 HydrophobicContact CD1-CD1 4.41Å; F27-L42 HydrophobicContact CD1-CD2 4.01Å; F27-L42 HydrophobicContact CE1-CD2 4.1Å; F27-I45 HydrophobicContact CD1-CG2 4.36Å; F27-I49 HydrophobicContact CD2-CD1 3.9Å; F27-I49 HydrophobicContact CE2-CD1 3.88Å
28T65.6Low66.6Low38 Ų3880.9 Ų80.923%0.23345%0.448CS..Hα-helixtrans-75.9-34175.743.10000112.8G24 F25 M26 G31 M32G24-T28 WeakPolarHBondContact O-CB 3.46Å; G24-T28 WeakPolarHBondContact O-CG2 3.45Å; G24-T28 PolarHBondContact O-N 3.13Å; G24-T28 PolarHBondContact O-OG1 3.05Å; F25-T28 WeakPolarHBondContact CA-OG1 3.03Å; F25-T28 PolarHBondContact O-N 2.99Å; F25-T28 PolarHBondContact O-OG1 3.45Å; F25-T28 VanDerWaalsContact O-OG1 3.09Å; M26-T28 PolarHBondContact O-N 3.21Å; T28-G31 CarbonylContact O-C 3.59Å; T28-G31 PolarHBondContact O-N 2.87Å; T28-M32 WeakPolarHBondContact O-CB 3.35Å; T28-M32 VanDerWaalsContact O-CG 3.3Å; T28-M32 WeakPolarHBondContact O-CG 3.32Å; T28-M32 PolarHBondContact O-N 3.46Å
29V67.4Low65.5Low70 Ų7086.1 Ų86.142%0.42447%0.471SS..Hα-helixtrans-69.3-45.91751710000111.5F25 M26 G31 M32 K33F25-V29 HydrophobicContact CD1-CG2 4.19Å; F25-V29 HydrophobicContact CD2-CG2 4.07Å; F25-V29 HydrophobicContact CE1-CG2 3.84Å; F25-V29 HydrophobicContact CE2-CG2 3.71Å; F25-V29 HydrophobicContact CG-CG2 4.3Å; F25-V29 HydrophobicContact CZ-CG2 3.58Å; F25-V29 WeakPolarHBondContact O-CB 3.38Å; F25-V29 VanDerWaalsContact O-CG2 3.31Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 3.39Å; M26-V29 PolarHBondContact O-N 2.84Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.47Å; V29-M32 PolarHBondContact O-N 2.94Å; V29-K33 PolarHBondContact O-N 3.08Å
30S63.8Low64.6Low42 Ų4287.3 Ų87.329%0.29447%0.474SS..Hα-helixtrans-62.8-38.6170.1-90.10000111.9M26 M32 K33 G34 E35M26-S30 PolarHBondContact O-N 3.44Å; S30-M32 PolarHBondContact O-N 3.23Å; S30-K33 WeakPolarHBondContact O-CB 3.46Å; S30-K33 PolarHBondContact O-N 3.49Å; S30-K33 VanDerWaalsContact O-N 3.13Å; S30-G34 PolarHBondContact O-N 2.9Å; S30-E35 VanDerWaalsContact CB-OE2 3.23Å; S30-E35 WeakPolarHBondContact CB-OE2 3.12Å; S30-E35 PolarHBondContact O-N 3.24Å; S30-E35 PolarHBondContact OG-OE2 3.25Å
31G60.8Low64Low11 Ų1187.6 Ų87.611%0.11348%0.482CS..Hα-helixtrans-62.2-37.5173.800000114.2F27 T28 V29 K33 G34F27-G31 PolarHBondContact O-N 2.76Å; T28-G31 CarbonylContact O-C 3.59Å; T28-G31 PolarHBondContact O-N 2.87Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.47Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.14Å; G31-G34 PolarHBondContact O-N 3.06Å
32M58.9Low63.3Low152 Ų15283.3 Ų83.375%0.74946%0.46SS*.Hα-helixtrans-67.8-26.8173.7-79.3177.963.900112.8T28 V29 S30 G34 L43T28-M32 WeakPolarHBondContact O-CB 3.35Å; T28-M32 VanDerWaalsContact O-CG 3.3Å; T28-M32 WeakPolarHBondContact O-CG 3.32Å; T28-M32 PolarHBondContact O-N 3.46Å; V29-M32 PolarHBondContact O-N 2.94Å; S30-M32 PolarHBondContact O-N 3.23Å; M32-G34 PolarHBondContact O-N 2.95Å; M32-L43 HydrophobicContact CG-CD1 3.96Å
33K63Low62.3Low156 Ų15683.7 Ų83.768%0.67846%0.459SS*.THydrogen-bonded Turntrans-75.5-5.6174.1-165.4177.8165-151.10112.8V29 S30 G31 E35V29-K33 PolarHBondContact O-N 3.08Å; S30-K33 WeakPolarHBondContact O-CB 3.46Å; S30-K33 PolarHBondContact O-N 3.49Å; S30-K33 VanDerWaalsContact O-N 3.13Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.14Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.4Å; K33-E35 HydrophobicContact CD-CG 4.38Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 VanDerWaalsContact CE-OE1 3.3Å; K33-E35 WeakPolarHBondContact CE-OE1 3.38Å; K33-E35 HydrophobicContact CG-CG 4.42Å; K33-E35 IonicContact NZ-OE1 3.04Å; K33-E35 PolarHBondContact NZ-OE1 3.47Å
34G56.1Low61.8Low55 Ų5580.7 Ų80.757%0.56746%0.456SS*.THydrogen-bonded Turntrans80.99.9-178.700000114.1S30 G31 M32 T36S30-G34 PolarHBondContact O-N 2.9Å; G31-G34 PolarHBondContact O-N 3.06Å; M32-G34 PolarHBondContact O-N 2.95Å; G34-T36 PolarHBondContact O-N 3.43Å
35E55.9Low61.4Low76 Ų7682.9 Ų82.936%0.35547%0.466SS..  trans-70.5115.1174.6-64.5172.1162.400108.7S30 K33 L42S30-E35 VanDerWaalsContact CB-OE2 3.23Å; S30-E35 WeakPolarHBondContact CB-OE2 3.12Å; S30-E35 PolarHBondContact O-N 3.24Å; S30-E35 PolarHBondContact OG-OE2 3.25Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.4Å; K33-E35 HydrophobicContact CD-CG 4.38Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 VanDerWaalsContact CE-OE1 3.3Å; K33-E35 WeakPolarHBondContact CE-OE1 3.38Å; K33-E35 HydrophobicContact CG-CG 4.42Å; K33-E35 IonicContact NZ-OE1 3.04Å; K33-E35 PolarHBondContact NZ-OE1 3.47Å; E35-L42 HydrophobicContact CB-CD1 4.41Å; E35-L42 VanDerWaalsContact O-CD1 3.29Å; E35-L42 WeakPolarHBondContact O-CD1 3.5Å; E35-L42 VanDerWaalsContact O-CG 3.26Å; E35-L42 WeakPolarHBondContact O-CG 3.43Å
36T55.6Low60.9Low82 Ų8276.3 Ų76.350%0.50344%0.438SS..BIsolated β-bridgetrans-110.8129.3176.168.40000110.3G34 G38G34-T36 PolarHBondContact O-N 3.43Å; T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.34Å; T36-G38 PolarHBondContact O-N 3.39Å; T36-G38 PolarHBondContact OG1-O 2.89Å
37L50.5Low60.5Low133 Ų13373.3 Ų73.370%0.69643%0.427SS*.SBendtrans-77.580.5166.3-76.7178.8000108.1L42L37-L42 HydrophobicContact CB-CD2 4.05Å; L37-L42 HydrophobicContact CD1-CD2 3.89Å; L37-L42 HydrophobicContact CG-CD2 3.88Å
38G64.7Low60.3Low56 Ų5673.1 Ų73.158%0.57744%0.438SS*.SBendtrans71.6-130.7-173.900000112.2T36 I40T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.34Å; T36-G38 PolarHBondContact O-N 3.39Å; T36-G38 PolarHBondContact OG1-O 2.89Å; G38-I40 VanDerWaalsContact C-N 3.33Å; G38-I40 PolarHBondContact O-N 3.13Å
39N55.6Low60.4Low168 Ų16874 Ų7490%0.89844%0.44SS*.SBendtrans-9219-167.6-153.612.3000114.2
40I58.1Low60.2Low99 Ų9971.7 Ų71.751%0.50843%0.427SS..SBendtrans-130.3126.8179.5-57.1178.2000108.7G38 L42 I45G38-I40 VanDerWaalsContact C-N 3.33Å; G38-I40 PolarHBondContact O-N 3.13Å; I40-L42 PolarHBondContact O-N 3Å; I40-I45 HydrophobicContact CG2-CD1 3.87Å; I40-I45 HydrophobicContact CG2-CG1 4.21Å
41P59.2Low60.2Low70 Ų7074.9 Ų74.946%0.45544%0.44SS..BIsolated β-bridgetrans-71.2129.4178.128.4-33.6000111L43 A44P41-L43 HydrophobicContact CB-CB 4.46Å; P41-L43 PolarHBondContact O-N 3.5Å; P41-L43 VanDerWaalsContact O-N 3.08Å; P41-A44 HydrophobicContact CG-CB 4.23Å; P41-A44 PolarHBondContact O-N 3.43Å
42L57.2Low60.5Low12 Ų1278.1 Ų78.16%0.06346%0.459CS..Hα-helixtrans-58.1-25.5176.4-66.2-176.8000112.7F27 E35 L37 I40 A44 I45 G46F27-L42 HydrophobicContact CD1-CB 4.47Å; F27-L42 HydrophobicContact CD1-CD1 4.41Å; F27-L42 HydrophobicContact CD1-CD2 4.01Å; F27-L42 HydrophobicContact CE1-CD2 4.1Å; E35-L42 HydrophobicContact CB-CD1 4.41Å; E35-L42 VanDerWaalsContact O-CD1 3.29Å; E35-L42 WeakPolarHBondContact O-CD1 3.5Å; E35-L42 VanDerWaalsContact O-CG 3.26Å; E35-L42 WeakPolarHBondContact O-CG 3.43Å; L37-L42 HydrophobicContact CB-CD2 4.05Å; L37-L42 HydrophobicContact CD1-CD2 3.89Å; L37-L42 HydrophobicContact CG-CD2 3.88Å; I40-L42 PolarHBondContact O-N 3Å; L42-A44 PolarHBondContact O-N 3.37Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.44Å; L42-G46 PolarHBondContact O-N 3.46Å; L42-G46 VanDerWaalsContact O-N 3.13Å
43L56.3Low60.7Low91 Ų9171 Ų7148%0.47642%0.424SS..Hα-helixtrans-55.1-30.2172.1-164.673.7000113.5M32 P41 P47M32-L43 HydrophobicContact CG-CD1 3.96Å; P41-L43 HydrophobicContact CB-CB 4.46Å; P41-L43 PolarHBondContact O-N 3.5Å; P41-L43 VanDerWaalsContact O-N 3.08Å; L43-P47 WeakPolarHBondContact O-CD 3.45Å; L43-P47 WeakPolarHBondContact O-CG 3.23Å
44A61.5Low60.8Low54 Ų5468.1 Ų68.145%0.44642%0.416SS..Hα-helixtrans-86.1-24.6175.400000113P41 L42 A48P41-A44 HydrophobicContact CG-CB 4.23Å; P41-A44 PolarHBondContact O-N 3.43Å; L42-A44 PolarHBondContact O-N 3.37Å; A44-A48 PolarHBondContact O-N 2.87Å
45I65.1Low61.2Low50 Ų5067.9 Ų67.926%0.25641%0.408SS..Hα-helixtrans-77.3-37.9-178-72.2162.5000111.4F27 I40 L42 A48 I49F27-I45 HydrophobicContact CD1-CG2 4.36Å; I40-I45 HydrophobicContact CG2-CD1 3.87Å; I40-I45 HydrophobicContact CG2-CG1 4.21Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.44Å; I45-A48 WeakPolarHBondContact O-CB 3.47Å; I45-A48 PolarHBondContact O-N 2.88Å; I45-A48 VanDerWaalsContact O-N 3.12Å; I45-I49 HydrophobicContact CG2-CD1 3.63Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.1Å; I45-I49 PolarHBondContact O-N 3.01Å
46G63.3Low61.6Low2 Ų267 Ų672%0.02141%0.414CS..Hα-helixtrans-53.7-52.9174.300000113.6L42 A48 I49 C50L42-G46 PolarHBondContact O-N 3.46Å; L42-G46 VanDerWaalsContact O-N 3.13Å; G46-A48 PolarHBondContact O-N 3.45Å; G46-I49 PolarHBondContact O-N 2.86Å; G46-C50 PolarHBondContact O-N 2.96Å
47P63Low62Low59 Ų5964.7 Ų64.738%0.38340%0.398SS..Hα-helixtrans-58-41.5171.5-27.235.6000113.7L43 I49 C50 L51L43-P47 WeakPolarHBondContact O-CD 3.45Å; L43-P47 WeakPolarHBondContact O-CG 3.23Å; P47-I49 VanDerWaalsContact C-N 3.26Å; P47-I49 PolarHBondContact O-N 3.36Å; P47-C50 PolarHBondContact O-N 3.3Å; P47-L51 WeakPolarHBondContact O-CB 3.33Å; P47-L51 VanDerWaalsContact O-CG 3.23Å; P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.41Å
48A65.7Low62.5Low60 Ų6061 Ų6150%0.49639%0.387SS..Hα-helixtrans-64.2-29.117900000113.3A44 I45 G46 P52A44-A48 PolarHBondContact O-N 2.87Å; I45-A48 WeakPolarHBondContact O-CB 3.47Å; I45-A48 PolarHBondContact O-N 2.88Å; I45-A48 VanDerWaalsContact O-N 3.12Å; G46-A48 PolarHBondContact O-N 3.45Å; A48-P52 WeakPolarHBondContact O-CD 3.36Å; A48-P52 WeakPolarHBondContact O-CG 3.37Å
49I66.2Low62.2Low56 Ų5663.5 Ų63.529%0.28739%0.387SS..Hα-helixtrans-82.9-38.2174.7-67.4170.8000111.5F20 F27 I45 G46 P47F20-I49 HydrophobicContact CD1-CG2 4.06Å; F20-I49 WeakPolarHBondContact CD1-O 3.31Å; F20-I49 HydrophobicContact CE1-CG2 4.43Å; F27-I49 HydrophobicContact CD2-CD1 3.9Å; F27-I49 HydrophobicContact CE2-CD1 3.88Å; I45-I49 HydrophobicContact CG2-CD1 3.63Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.1Å; I45-I49 PolarHBondContact O-N 3.01Å; G46-I49 PolarHBondContact O-N 2.86Å; P47-I49 VanDerWaalsContact C-N 3.26Å; P47-I49 PolarHBondContact O-N 3.36Å
50C63.3Low62.4Low21 Ų2157.1 Ų57.114%0.14236%0.358CS..Hα-helixtrans-70.1-37.5177.5-81.60000113.9F20 G46 P47 G53 I54F20-C50 PolarHBondContact O-SG 3.46Å; F20-C50 VanDerWaalsContact O-SG 3.36Å; G46-C50 PolarHBondContact O-N 2.96Å; P47-C50 PolarHBondContact O-N 3.3Å; C50-G53 PolarHBondContact O-N 2.94Å; C50-G53 VanDerWaalsContact O-N 3.16Å; C50-I54 HydrophobicContact CB-CD1 4.25Å; C50-I54 WeakPolarHBondContact O-CG1 3.31Å; C50-I54 PolarHBondContact O-N 2.77Å
51L65.3Low62.4Low109 Ų10962.5 Ų62.557%0.57137%0.371SS*.Hα-helixtrans-60.5-44.9-173.5-80.8166.6000113.9P47 G53 I54 A55P47-L51 WeakPolarHBondContact O-CB 3.33Å; P47-L51 VanDerWaalsContact O-CG 3.23Å; P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.41Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.34Å; L51-I54 PolarHBondContact O-N 3.12Å; L51-A55 VanDerWaalsContact O-CB 3.28Å; L51-A55 WeakPolarHBondContact O-CB 3.08Å; L51-A55 PolarHBondContact O-N 3.45Å
52P65.4Low62.1Low79 Ų7968 Ų6851%0.51339%0.388SS..Hα-helixtrans-58-40.6172.4-27.235.4000113.4A48 A55 A56A48-P52 WeakPolarHBondContact O-CD 3.36Å; A48-P52 WeakPolarHBondContact O-CG 3.37Å; P52-A55 PolarHBondContact O-N 3.27Å; P52-A56 WeakPolarHBondContact O-CB 3.44Å; P52-A56 PolarHBondContact O-N 3.09Å
53G64.1Low62Low2 Ų269.2 Ų69.22%0.02140%0.396CS..Hα-helixtrans-61.3-53.4174.900000111.7C50 L51 A55 A56 I57C50-G53 PolarHBondContact O-N 2.94Å; C50-G53 VanDerWaalsContact O-N 3.16Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.34Å; G53-A55 VanDerWaalsContact C-N 3.29Å; G53-A55 PolarHBondContact O-N 3.12Å; G53-A56 PolarHBondContact O-N 2.89Å; G53-I57 VanDerWaalsContact O-CD1 3.23Å; G53-I57 WeakPolarHBondContact O-CD1 3.33Å; G53-I57 VanDerWaalsContact O-CG1 3.23Å; G53-I57 WeakPolarHBondContact O-CG1 3.23Å; G53-I57 PolarHBondContact O-N 3.37Å
54I64.8Low61.5Low97 Ų9772.9 Ų72.950%0.49741%0.411SS..Hα-helixtrans-58.1-41.4177.9-65.1165.6000111.1C50 L51 I57 A58C50-I54 HydrophobicContact CB-CD1 4.25Å; C50-I54 WeakPolarHBondContact O-CG1 3.31Å; C50-I54 PolarHBondContact O-N 2.77Å; L51-I54 PolarHBondContact O-N 3.12Å; I54-I57 PolarHBondContact O-N 2.9Å; I54-A58 WeakPolarHBondContact O-CB 3.19Å; I54-A58 PolarHBondContact O-N 3.37Å
55A65.1Low61Low50 Ų5071.1 Ų71.141%0.41340%0.398SS..Hα-helixtrans-64.9-42.8176.900000112.5L51 P52 G53 I57 A58 L59L51-A55 VanDerWaalsContact O-CB 3.28Å; L51-A55 WeakPolarHBondContact O-CB 3.08Å; L51-A55 PolarHBondContact O-N 3.45Å; P52-A55 PolarHBondContact O-N 3.27Å; G53-A55 VanDerWaalsContact C-N 3.29Å; G53-A55 PolarHBondContact O-N 3.12Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-I57 PolarHBondContact O-N 2.95Å; A55-A58 PolarHBondContact O-N 3.27Å; A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 3.07Å
56A63.6Low60.2Low58 Ų5872 Ų7248%0.47941%0.408SS..Hα-helixtrans-63.1-38.9175.800000112P52 G53 L59 A60P52-A56 WeakPolarHBondContact O-CB 3.44Å; P52-A56 PolarHBondContact O-N 3.09Å; G53-A56 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 2.99Å; A56-A60 WeakPolarHBondContact O-CB 3.48Å; A56-A60 PolarHBondContact O-N 2.87Å
57I64.1Low59.5Low32 Ų3276.9 Ų76.916%0.16444%0.437CS..Hα-helixtrans-69.2-42.5176-60.2152.8000110.9V13 V17 G53 I54 A55 L59 A60 R61V13-I57 HydrophobicContact CG1-CG1 4.34Å; V13-I57 HydrophobicContact CG1-CG2 3.95Å; V17-I57 HydrophobicContact CG2-CD1 3.29Å; V17-I57 HydrophobicContact CG2-CG1 4.22Å; G53-I57 VanDerWaalsContact O-CD1 3.23Å; G53-I57 WeakPolarHBondContact O-CD1 3.33Å; G53-I57 VanDerWaalsContact O-CG1 3.23Å; G53-I57 WeakPolarHBondContact O-CG1 3.23Å; G53-I57 PolarHBondContact O-N 3.37Å; I54-I57 PolarHBondContact O-N 2.9Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-I57 PolarHBondContact O-N 2.95Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.19Å; I57-A60 PolarHBondContact O-N 2.05Å; I57-R61 HydrophobicContact CG2-CG 4.5Å; I57-R61 WeakPolarHBondContact O-CB 3.38Å; I57-R61 WeakPolarHBondContact O-CG 3.28Å; I57-R61 PolarHBondContact O-N 3.3Å
58A61Low58.4Low56 Ų5682.5 Ų82.546%0.46346%0.456SS..Hα-helixtrans-62-41.5175.400000111.5I54 A55 K62I54-A58 WeakPolarHBondContact O-CB 3.19Å; I54-A58 PolarHBondContact O-N 3.37Å; A55-A58 PolarHBondContact O-N 3.27Å; A58-K62 WeakPolarHBondContact O-CB 3.23Å; A58-K62 PolarHBondContact O-N 3.49Å
59L57.8Low57.3Low108 Ų10889.3 Ų89.357%0.56547%0.469SS*.Hα-helixtrans-60.8-52.3171.1-88.9159.8000111.5A55 A56 I57 R61 K62 T63A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 3.07Å; A56-L59 PolarHBondContact O-N 2.99Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.19Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 2.95Å; L59-K62 CarbonylContact O-C 3.57Å; L59-K62 PolarHBondContact O-N 2.9Å; L59-T63 HydrophobicContact CD2-CG2 4.47Å; L59-T63 WeakPolarHBondContact O-CG2 3.02Å; L59-T63 PolarHBondContact O-N 3.34Å; L59-T63 PolarHBondContact O-OG1 3.39Å
60A59.9Low56.1Low35 Ų3591.6 Ų91.629%0.28949%0.487SS..Hα-helixtrans-58.2-38.8-179.900000112.9A56 I57 E64 G65A56-A60 WeakPolarHBondContact O-CB 3.48Å; A56-A60 PolarHBondContact O-N 2.87Å; I57-A60 PolarHBondContact O-N 2.05Å; A60-E64 PolarHBondContact O-N 3.05Å; A60-G65 PolarHBondContact O-N 2.83Å
61R57.6Low55.4Low211 Ų21199.7 Ų99.780%0.79652%0.523SS*.Hα-helixtrans-72.4-33.2174.6-70.1-176.270.3-176.31.8113.2I57 L59I57-R61 HydrophobicContact CG2-CG 4.5Å; I57-R61 WeakPolarHBondContact O-CB 3.38Å; I57-R61 WeakPolarHBondContact O-CG 3.28Å; I57-R61 PolarHBondContact O-N 3.3Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 2.95Å
62K54.5Low54.5Low186 Ų186100.9 Ų100.981%0.80953%0.53SS*.Hα-helixtrans-82.6-18179.6-171.5174.3178.3-177.90113.6A58 L59A58-K62 WeakPolarHBondContact O-CB 3.23Å; A58-K62 PolarHBondContact O-N 3.49Å; L59-K62 CarbonylContact O-C 3.57Å; L59-K62 PolarHBondContact O-N 2.9Å
63T55.6Low53.5Low37 Ų37105.2 Ų105.223%0.22754%0.543CS..THydrogen-bonded Turntrans-111.311.9179.965.70000114L59 G65 C66L59-T63 HydrophobicContact CD2-CG2 4.47Å; L59-T63 WeakPolarHBondContact O-CG2 3.02Å; L59-T63 PolarHBondContact O-N 3.34Å; L59-T63 PolarHBondContact O-OG1 3.39Å; T63-G65 PolarHBondContact O-N 2.89Å; T63-C66 PolarHBondContact O-N 3.33Å; T63-C66 VanDerWaalsContact O-N 3.15Å; T63-C66 PolarHBondContact OG1-N 3Å
64E44.7Very low52.5Low168 Ų168112.7 Ų112.779%0.78558%0.582SS**THydrogen-bonded Turntrans51.230.3-177.2-58.9-176.2154.100113.2R9 A60R9-E64 PolarHBondContact NH1-O 3.08Å; A60-E64 PolarHBondContact O-N 3.05Å
65G50.8Low51.4Low17 Ų17116 Ų11618%0.17560%0.6CS.*THydrogen-bonded Turntrans66.562.6-173.300000113.9R9 A60 T63 T67R9-G65 PolarHBondContact NH1-O 3.33Å; R9-G65 VanDerWaalsContact NH1-O 3.08Å; R9-G65 PolarHBondContact NH2-O 3.48Å; A60-G65 PolarHBondContact O-N 2.83Å; T63-G65 PolarHBondContact O-N 2.89Å; G65-T67 PolarHBondContact O-N 3.18Å
66C48.9Very low50.1Low69 Ų69125 Ų12547%0.46662%0.623SS.*THydrogen-bonded Turntrans50.545.3155.3-64.50000117.3T63T63-C66 PolarHBondContact O-N 3.33Å; T63-C66 VanDerWaalsContact O-N 3.15Å; T63-C66 PolarHBondContact OG1-N 3Å
67T48.3Very low48.9Very low105 Ų105129.3 Ų129.364%0.64464%0.643SS**SBendtrans-85.3-18.8164.9560000113G65G65-T67 PolarHBondContact O-N 3.18Å
68K40.8Very low47.7Very low177 Ų177138.7 Ų138.777%0.7768%0.677SS**SBendtrans-132.6118163.4-69.1-178.9-179.8176.10109.3
69W42Very low46.7Very low202 Ų202144.7 Ų144.777%0.76569%0.693SS**  trans-72.9156.2159-88.872.7000109.4E71W69-E71 PolarHBondContact O-N 3.01Å
70P41.6Very low45.8Very low105 Ų105147.9 Ų147.968%0.68271%0.709SS**  trans-64.6103.6168.527.5-33.3000109.2N72P70-N72 PolarHBondContact O-N 3.34Å
71E47.6Very low44.8Very low190 Ų190151.4 Ų151.489%0.88873%0.729SS**  trans-84.354.2-174.6-163159.4-137.900111W69W69-E71 PolarHBondContact O-N 3.01Å
72N46.7Very low43.8Very low134 Ų134147 Ų14772%0.71773%0.729SS**SBendtrans-170.9173.4166.6-108.2-69.1000111.9P70 L74P70-N72 PolarHBondContact O-N 3.34Å; N72-L74 PolarHBondContact O-N 3.42Å
73E45.1Very low43.1Very low170 Ų170148.4 Ų148.479%0.79474%0.736SS**SBendtrans72.1-7.8169.3-63.3-63.9104.100121
74L41.2Very low42.2Very low159 Ų159158 Ų15883%0.83277%0.768SS**  trans-129.964.1175.4-75.4178.4000115.1N72 W76N72-L74 PolarHBondContact O-N 3.42Å; L74-W76 PolarHBondContact O-N 3.16Å
75L43.6Very low41.9Very low167 Ų167159.1 Ų159.187%0.87477%0.77SS**THydrogen-bonded Turntrans-7218.9-178.9-80.8168.2000116.7
76W37.7Very low41.3Very low238 Ų238163.9 Ų163.990%0.90280%0.798SS**THydrogen-bonded Turntrans-121.3-1.5-163.7-74.994.4000118.1L74L74-W76 PolarHBondContact O-N 3.16Å
77V37.9Very low40.9Very low149 Ų149169.3 Ų169.390%0.90381%0.814SS**SBendtrans-110.8115.5169.8-174.60000110.7
78R38.9Very low40.1Very low229 Ų229171.6 Ų171.686%0.86482%0.822SS**  trans-91.6121.1-160.2178.2174.8175145.9-7.5112.5
79K40Very low40.2Very low183 Ų183170.9 Ų170.980%0.79682%0.819SS**  trans63101.6169.9-64.5-175.2173.4-171.50117.2
80L38.2Very low40.2Very low175 Ų175170.4 Ų170.492%0.91683%0.825SS**  trans-110.4127.6136.1-113.973.8000108.3
81P38.2Very low40Very low109 Ų109171.4 Ų171.471%0.70883%0.829SS**  trans-85.1158.5173.934.6-33.7000112.1
82C36.6Very low39.8Very low117 Ų117169 Ų16979%0.79183%0.827SS**  trans5896.5161.1-63.20000118.7
83F41.6Very low39.5Very low216 Ų216171.4 Ų171.495%0.94783%0.834SS**  -138.1100.9126.9-104.2-77.4000110.1
84R36.6Very low39.2Very low239 Ų239171 Ų17190%0.90284%0.836SS**PPolyproline II helixtrans-75.1138.9171-89-173.6169.5-172.1-1.9109.4P86R84-P86 WeakPolarHBondContact O-CD 3.46Å
85K38.3Very low39.1Very low192 Ų192172 Ų17284%0.83584%0.841SS**PPolyproline II helixtrans-76.2131.4173.2-61.2176.9-179.21750111.2
86P37.7Very low38.7Very low117 Ų117174.9 Ų174.976%0.7684%0.841SS**PPolyproline II helixtrans-74.1163.9140.2-10.428.8000110.2R84R84-P86 WeakPolarHBondContact O-CD 3.46Å
87K41.6Very low38.5Very low183 Ų183169.2 Ų169.280%0.79683%0.833SS**  trans-115.5120.9171.8-75.5179.5178.6175.60109.9
88D30.8Very low38.6Very low153 Ų153168.1 Ų168.182%0.81883%0.829SS**  trans-122.4124143.8-63.6-58000104.3
89K43.5Very low38.7Very low161 Ų161162.2 Ų162.270%0.782%0.822SS**  cis59.9136.642.9-64-169.3166.9-168.80112.3V91K89-V91 PolarHBondContact O-N 3.35Å
90E40.7Very low38.4Very low193 Ų193161.4 Ų161.490%0.90283%0.827SS**SBendtrans70.919.3172.1-57.3-178.8-166.500118.4
91V37.8Very low38.3Very low126 Ų126161.2 Ų161.276%0.76483%0.826SS**  trans-135.350.7160-157.80000112.5K89K89-V91 PolarHBondContact O-N 3.35Å
92V42.8Very low38.3Very low140 Ų140165.3 Ų165.385%0.84884%0.835SS**  trans-126.850.4177.7-164.40000111.1
93E40.5Very low38.2Very low184 Ų184165.7 Ų165.786%0.8684%0.839SS**SBendtrans-139.80.4178.1-140.8163.8-142.400114.6
94L40Very low37.6Very low162 Ų162158.5 Ų158.585%0.84883%0.826SS**SBendtrans-102.711.2179-67.9176.1000114.6
95L38.9Very low37.6Very low179 Ų179157.5 Ų157.594%0.93783%0.828SS**  trans-108.154.8171-69.6-179.8000111.6
96R34.3Very low37.3Very low228 Ų228152 Ų15286%0.8683%0.826SS**  trans-116.893.8163.8-166.5179.5-171.898.53.2109.9
97T34.1Very low37.2Very low119 Ų119151.8 Ų151.873%0.7383%0.828SS**  trans-57.3128.9172.9-29.30000109.9S99T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 VanDerWaalsContact O-N 3.16Å
98P40.7Very low36.8Very low126 Ų126148.7 Ų148.782%0.81883%0.829SS**  trans-77100.7170.730.3-31.4000109
99S39Very low37.1Very low104 Ų104148 Ų14873%0.72783%0.825SS**  trans-93.5142.4157.8-60.50000108.5T97T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 VanDerWaalsContact O-N 3.16Å
100D34.8Very low36.5Very low167 Ų167147.1 Ų147.189%0.89382%0.823SS**  trans-55.1135.9-170.1-62.8-83.1000114.1
101L36Very low36.4Very low171 Ų171146.4 Ų146.490%0.89583%0.825SS**  trans-120.8107.4159.3-89.9172.3000108.6S103L101-S103 PolarHBondContact O-N 2.85Å
102E37.2Very low36.2Very low194 Ų194143.6 Ų143.691%0.90782%0.815SS**  trans-66.1106.9170.6-175-150.3136.300110.4
103S34.4Very low35.8Very low125 Ų125146.6 Ų146.687%0.87482%0.817SS**  trans-170.8160155.8-144.50000111.1L101L101-S103 PolarHBondContact O-N 2.85Å
104G29.4Very low35.5Very low66 Ų66148.1 Ų148.168%0.6882%0.82SS**  trans122.320.1155.900000120.6
105K37.1Very low35.2Very low217 Ų217145 Ų14594%0.94382%0.818SS**  trans32.798.9135.3-175.3-176.2177.6179.40118.3
106G30.9Very low34.6Very low76 Ų76139.8 Ų139.878%0.78481%0.808SS**  trans149.3154.3162.800000113.2
107S35.6Very low34.4Very low114 Ų114136.7 Ų136.780%0.79781%0.807SS**  cis-167.3127.8-8.2171.80000110.7
108S35.1Very low34.2Very low117 Ų117142.6 Ų142.682%0.81882%0.816SS**  trans64159.5159.8-1560000118.4
109D35.2Very low33.6Very low138 Ų138140.3 Ų140.374%0.73882%0.816SS**  -154.1173.1-54.2-165.113.1000108.3
110E32.6Very low33.3Very low143 Ų143145 Ų14567%0.66882%0.823SS**  trans32.3103.7154-83.7-82.380.400119.5
111L37.8Very low33.9Very low178 Ų178142.2 Ų142.293%0.93281%0.814SS**  -158.2114119.8-116.7167.5000112.4
112A33.6Very low34.3Very low67 Ų67140.6 Ų140.655%0.55481%0.813SS**  trans-93.1151.3-17200000114.8
113K33.8Very low33.9Very low204 Ų204134.8 Ų134.889%0.88781%0.805SS**  trans35.7119.8145.8-64.8172.8178.7170.30119
114K35.8Very low33.7Very low215 Ų215138.3 Ų138.394%0.93581%0.808SS**  -148.7167.7125.9-126.4176.4-178178.90114.2
115A32.1Very low33.7Very low98 Ų98138 Ų13881%0.8181%0.806SS**  trans-58.1164.5-17200000115.1
116G26.2Very low33.4Very low69 Ų69136.9 Ų136.971%0.71180%0.804SS**  cis140.4-179.2-2.100000113.3
117L31.3Very low33.3Very low162 Ų162136.4 Ų136.485%0.84880%0.798SS**  trans71.6106170.4-64.6168.8000120.1
118R29.1Very low33Very low244 Ų244139.7 Ų139.792%0.92180%0.801SS**  76.9111.1113.3-162.3-173.2-138.9-84.42.9120.5
119G28.4Very low32.8Very low78 Ų78139.9 Ų139.980%0.80480%0.797SS**  trans-175.6144.3158.700000113.2
120K32Very low32.4Very low203 Ų203137.8 Ų137.888%0.88379%0.793SS**  trans-144.3146178.3-130.9-134.6174.6-178.10111.6
121P48.3Very low32.4Very low107 Ų107139.6 Ų139.670%0.69580%0.804SS**  trans-89176.9175.340.4-36.9000111.5
122P43.9Very low31.9Very low137 Ų137135.4 Ų135.489%0.8980%0.795SS**  cis-149.6-178.938.245.2-24.2000120
123G28.8Very low31.7Very low72 Ų72138.6 Ų138.674%0.74281%0.813SS**  trans178.6158.5162.600000111.3
124Q30.7Very low31.4Very low199 Ų199134.1 Ų134.193%0.9381%0.808SS**  cis-170.1154.4-10.4-175170.8-13.900111.1
125G30Very low31.2Very low61 Ų61131.2 Ų131.263%0.62980%0.801SS**  trans90135.8171.700000115.1
126Q31.1Very low31Very low193 Ų193132.6 Ų132.690%0.90280%0.799SS**  cis74133.436.9-62.8-178-78.800114.9
127G28.8Very low31.2Very low65 Ų65135.5 Ų135.567%0.6780%0.803SS**  cis171.3170.2-6.300000113.4
128E29.7Very low31.6Very low183 Ų183133.8 Ų133.886%0.85580%0.802SS**  trans59.4168.1157.5-71.7173.3107.600120.4
129V29.6Very low31.6Very low121 Ų121128.7 Ų128.773%0.73380%0.798SS**  -167166.8-51.81260000109.4
130S27.8Very low32.5Very low94 Ų94130.3 Ų130.366%0.65780%0.795SS**  trans72.8160.8168.9-73.60000118.2
131M31.3Very low32.5Very low181 Ų181126.1 Ų126.189%0.89279%0.786SS**  cis-148.8-173-2.4-134.3175.7-84.200112.1
132A28.7Very low31.7Very low90 Ų90129.8 Ų129.874%0.74479%0.794SS**  trans-128.9167-17300000115.2
133S28.6Very low31.3Very low134 Ų134131.5 Ų131.594%0.93779%0.79SS**  trans-163.6174.4169.7-83.70000113.6
134S28.2Very low31.3Very low111 Ų111131.8 Ų131.878%0.77679%0.793SS**  trans-157172.4-154.5-164.70000116.4
135I31.2Very low31.4Very low153 Ų153131.1 Ų131.179%0.78579%0.79SS**  trans74.7147.2165.6-71.1161.4000115.2
136T28Very low31.2Very low127 Ų127134.3 Ų134.378%0.77980%0.801SS**  cis-156.1172.339.6-23.30000114.1
137T29.8Very low31.4Very low130 Ų130133.6 Ų133.680%0.79880%0.798SS**  trans-140.9157.116151.30000111.1
138P39.3Very low31.3Very low127 Ų127136 Ų13683%0.82581%0.805SS**  -156.6-172.598.839.1-16.9000117.6
139T30.3Very low31.6Very low136 Ų136134.9 Ų134.983%0.83480%0.803SS**  trans-143.2168-178.963.60000113.3
140P46.7Very low31.7Very low113 Ų113134.9 Ų134.973%0.73480%0.804SS**  -161.1-14996.944.7-22.4000116.4
141T31.4Very low31.8Very low115 Ų115139 Ų13971%0.70681%0.812SS**  trans75.3160.4166.318.10000118.2
142E32.8Very low32.1Very low183 Ų183135.6 Ų135.686%0.85581%0.806SS**  cis-136.7178.38.4-59.8-179.910400113.8
143E34Very low32.1Very low174 Ų174134.6 Ų134.681%0.81381%0.805SS**  trans-140.4168.7-169.5-51.389.7-120.200117.7
144G29.2Very low32.3Very low78 Ų78137 Ų13780%0.80480%0.801SS**  trans179.2157.7173.900000118.9
145E32Very low32.8Very low184 Ų184137.8 Ų137.886%0.8679%0.793SS**  trans-137.1167.6-169.8-73.3-16994.200116.9
146C26.6Very low33.3Very low128 Ų128138.7 Ų138.787%0.86579%0.794SS**  trans-167.1158.7154.8-104.60000116.7
147Q34.7Very low34Very low178 Ų178139.4 Ų139.483%0.83279%0.788SS**  trans-134.8164.3-174.2-56.7178.89.900114.8
148S27.8Very low34.6Very low117 Ų117139.9 Ų139.982%0.81879%0.791SS**  trans-167174.6156.1-160.30000113.6
149L35.6Very low34.7Very low158 Ų158138.1 Ų138.183%0.82778%0.782SS**  trans-144.8-172.7-156.8-151.299.6000114.7
150V32.1Very low35.2Very low122 Ų122141.2 Ų141.274%0.73978%0.778SS**  trans80.8139.1166.9176.80000116.1
151Q30.1Very low34.7Very low179 Ų179146.7 Ų146.784%0.83679%0.786SS**  cis-145.5-155.50.5-145.7-174.5-97.600112.9
152S37.3Very low35.3Very low110 Ų110148.1 Ų148.177%0.76979%0.788SS**  trans-150.8165.4-179.461.30000114.8
153G29.3Very low35.7Very low70 Ų70147.5 Ų147.572%0.72279%0.791SS**  trans145.5141.3154.200000119.5
154H31.4Very low36Very low184 Ų184141.7 Ų141.785%0.85278%0.778SS**  trans72.3145159.1-138.560.9000117.7
155Q39.1Very low36.1Very low127 Ų127149.4 Ų149.459%0.59379%0.785SS**  cis-167130.9-28.9-170.8175.414.200105.3
156E42.1Very low36.1Very low172 Ų172146 Ų14680%0.80478%0.78SS**  73.660.453.8-154.5-160.8161.900116.4
157E43.4Very low36.7Very low143 Ų143145.8 Ų145.867%0.66878%0.777SS**  trans-134.1-24.6167.3-71-151.8116.500116.8S159E157-S159 PolarHBondContact O-N 3.09Å
158T41.1Very low37.3Very low140 Ų140143.5 Ų143.586%0.85978%0.781SS**G310 helixtrans-82.44.2-164.1-15.20000116.7R160T158-R160 PolarHBondContact O-N 3.43Å
159S41.8Very low37.7Very low90 Ų90141 Ų14163%0.62977%0.773SS**G310 helixtrans-79.4-15.3-169.853.10000115.8E157 Y161E157-S159 PolarHBondContact O-N 3.09Å; S159-Y161 VanDerWaalsContact C-N 3.34Å; S159-Y161 PolarHBondContact O-N 3Å
160R40.1Very low38.2Very low201 Ų201139.4 Ų139.476%0.75878%0.775SS**G310 helixtrans-82.810.6-165.4-73.3-170.9-74173.2-5.8117.2T158T158-R160 PolarHBondContact O-N 3.43Å
161Y38Very low38.4Very low227 Ų227137.6 Ų137.689%0.8977%0.768SS**G310 helixtrans-1205.9-179.2-80.7-77.4000115.4S159S159-Y161 VanDerWaalsContact C-N 3.34Å; S159-Y161 PolarHBondContact O-N 3Å
162L43.6Very low39Very low145 Ų145136.5 Ų136.576%0.75977%0.767SS**  trans-111.74.1-179-72.2171.3000114.6G164L162-G164 PolarHBondContact O-N 3.16Å
163D41.7Very low39Very low170 Ų170136.5 Ų136.591%0.90976%0.762SS**  trans-8557.2-178.4-161.319.5000112.3
164G39.1Very low39.5Very low53 Ų53141.4 Ų141.455%0.54676%0.76SS.*SBendtrans-165122.7-179.500000112L162L162-G164 PolarHBondContact O-N 3.16Å
165Y31.6Very low39.7Very low239 Ų239137 Ų13794%0.93775%0.75SS**  trans66.572.2180-60-84.2000116.7
166C32.6Very low39.7Very low113 Ų113135.4 Ų135.476%0.76476%0.759SS**  trans-122.8104.7158.9-98.70000111.2S168C166-S168 PolarHBondContact O-N 3.45Å
167P38.2Very low39.8Very low124 Ų124135 Ų13581%0.80576%0.761SS**  trans-83.4107.4168.431.3-29.6000110.8G169P167-G169 PolarHBondContact O-N 3.5Å
168S46.6Very low39.7Very low130 Ų130134.5 Ų134.591%0.90976%0.763SS**SBendtrans20.285.3162-177.80000117.6C166C166-S168 PolarHBondContact O-N 3.45Å
169G37.8Very low39.6Very low63 Ų63133.6 Ų133.665%0.64975%0.752SS**SBendtrans-176.444.117900000117.2P167 S171P167-G169 PolarHBondContact O-N 3.5Å; G169-S171 PolarHBondContact O-N 3.46Å
170S46.5Very low39.6Very low125 Ų125138.8 Ų138.887%0.87476%0.763SS**  trans39.860166.460.70000116.3L172S170-L172 PolarHBondContact O-N 2.89Å
171S35.7Very low39.3Very low85 Ų85134.6 Ų134.659%0.59476%0.763SS**  trans-71.698.5172.5-175.90000110.4G169 T173G169-S171 PolarHBondContact O-N 3.46Å; S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T173 PolarHBondContact O-N 3.31Å; S171-T173 VanDerWaalsContact O-N 3.14Å; S171-T173 PolarHBondContact O-OG1 2.91Å; S171-T173 PolarHBondContact OG-OG1 2.97Å
172L42.6Very low39.2Very low156 Ų156129.5 Ų129.582%0.81776%0.761SS**  trans-84.780.5170.4-144.7169000108.2S170 Y174S170-L172 PolarHBondContact O-N 2.89Å; L172-Y174 PolarHBondContact O-N 3.46Å
173T36.9Very low39.3Very low109 Ų109127.6 Ų127.667%0.66977%0.766SS**  trans-71.483-168.5-46.30000112.1S171 S175S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T173 PolarHBondContact O-N 3.31Å; S171-T173 VanDerWaalsContact O-N 3.14Å; S171-T173 PolarHBondContact O-OG1 2.91Å; S171-T173 PolarHBondContact OG-OG1 2.97Å; T173-S175 PolarHBondContact O-N 3.33Å
174Y40Very low39.1Very low173 Ų173128.9 Ų128.968%0.67876%0.758SS**  trans-83.196.8-179.3-159.8-94.8000111.2L172 A176 I179L172-Y174 PolarHBondContact O-N 3.46Å; Y174-A176 PolarHBondContact O-N 2.84Å; Y174-I179 WeakPolarHBondContact OH-CD1 3.31Å
175S34.6Very low38.9Very low92 Ų92132.2 Ų132.264%0.64376%0.763SS**  trans-72.5122.1174-174.20000110.4T173 L177T173-S175 PolarHBondContact O-N 3.33Å; S175-L177 PolarHBondContact O-N 3.13Å
176A40.6Very low39.3Very low93 Ų93132.3 Ų132.377%0.76976%0.762SS**THydrogen-bonded Turntrans-76.618.7-175.300000114.6Y174Y174-A176 PolarHBondContact O-N 2.84Å
177L43.9Very low39.7Very low164 Ų164132.1 Ų132.186%0.85976%0.759SS**THydrogen-bonded Turntrans-131.721.9-170.2-71.5179.1000115.4S175S175-L177 PolarHBondContact O-N 3.13Å
178D40.9Very low40.2Very low132 Ų132135.4 Ų135.471%0.70676%0.764SS**  trans-153.3101.3151.4-154.5-15.6000113.8K180D178-K180 PolarHBondContact OD1-N 3.1Å
179I38.3Very low39.8Very low122 Ų122134.6 Ų134.663%0.62676%0.757SS**  trans-134.395.9148.4-65.2-169.3000108.4Y174 C181Y174-I179 WeakPolarHBondContact OH-CD1 3.31Å; I179-C181 HydrophobicContact CG2-CB 3.95Å
180K42.7Very low39.8Very low199 Ų199137 Ų13787%0.86576%0.762SS**  trans-106.359.1158.6-164-179.7-180179.10110.9D178D178-K180 PolarHBondContact OD1-N 3.1Å
181C33.8Very low39.3Very low113 Ų113139.9 Ų139.976%0.76476%0.761SS**  trans-92.2146.5175.7-74.90000112.3I179I179-C181 HydrophobicContact CG2-CB 3.95Å
182S36.5Very low39.7Very low120 Ų120141.4 Ų141.484%0.83977%0.769SS**  trans-83.5156.6-171.847.80000113.6R184S182-R184 PolarHBondContact O-N 3.44Å
183A44.2Very low39.6Very low104 Ų104142.4 Ų142.486%0.8677%0.769SS**  trans-76113.317900000112.4
184R38.3Very low39.9Very low197 Ų197144.6 Ų144.674%0.74378%0.777SS**  trans-157.4145.1140.8-134.7-171.9153123.61.3113.8S182S182-R184 PolarHBondContact O-N 3.44Å
185D34.1Very low40.1Very low123 Ų123140 Ų14066%0.65877%0.77SS**  trans6588157.6-58.8-33.7000121.2
186R39.5Very low40.7Very low242 Ų242142 Ų14291%0.91377%0.772SS**  trans73.2159.5142.4-101.1-175.7164.7173.9-3.2120.4
187P41.1Very low41.1Very low109 Ų109145.2 Ų145.271%0.70877%0.769SS**  cis-113.6-167.1-20.638.5-24.2000112.1
188E49.8Very low41.2Very low192 Ų192146.9 Ų146.990%0.89777%0.77SS**  trans-53.3135.5-173.8-65.9136.2111.200115.2
189C37.5Very low41.7Very low113 Ų113143.9 Ų143.976%0.76476%0.756SS**  trans-130.7129.5157-1630000107
190P37.6Very low42.3Very low115 Ų115141.3 Ų141.375%0.74775%0.747SS**PPolyproline II helixtrans-66.8148.7173.929.8-34.6000110
191E37.1Very low42.9Very low185 Ų185141.2 Ų141.286%0.86475%0.75SS**PPolyproline II helixtrans-60.9132.2-178.8-60.8-155.6113.900111.2E193E191-E193 PolarHBondContact O-N 2.88Å
192P43.9Very low43.9Very low116 Ų116140.1 Ų140.175%0.75374%0.736SS**PPolyproline II helixtrans-69.2118.7162.429.7-30.3000107.9D194P192-D194 PolarHBondContact O-N 2.93Å
193E40Very low44.7Very low177 Ų177135.4 Ų135.483%0.82770%0.704SS**PPolyproline II helixtrans-53.9136.6172.4-61.2-178.212400110E191 S195E191-E193 PolarHBondContact O-N 2.88Å; E193-S195 PolarHBondContact O-N 3.45Å; E193-S195 PolarHBondContact O-OG 3.49Å; E193-S195 VanDerWaalsContact O-OG 3.05Å
194D42.6Very low45.3Very low155 Ų155134.5 Ų134.583%0.82968%0.683SS**  trans-61.173-171.1-98.7-39.7000113.6P192 I196P192-D194 PolarHBondContact O-N 2.93Å; D194-I196 VanDerWaalsContact C-N 3.33Å; D194-I196 PolarHBondContact O-N 3.34Å; D194-I196 VanDerWaalsContact O-N 3.16Å
195S44.8Very low46.3Very low76 Ų76129.3 Ų129.353%0.53167%0.669SS.*  trans-87.577.9172.741.10000107.9E193 F197E193-S195 PolarHBondContact O-N 3.45Å; E193-S195 PolarHBondContact O-OG 3.49Å; E193-S195 VanDerWaalsContact O-OG 3.05Å; S195-F197 WeakPolarHBondContact O-CD2 3.38Å; S195-F197 PolarHBondContact O-N 2.88Å
196I47Very low47.4Very low134 Ų134126.9 Ų126.969%0.68766%0.659SS**  trans-67.280-179.1-52.6176.8000109.9D194 F198D194-I196 VanDerWaalsContact C-N 3.33Å; D194-I196 PolarHBondContact O-N 3.34Å; D194-I196 VanDerWaalsContact O-N 3.16Å; I196-F198 HydrophobicContact CG2-CD2 4.35Å; I196-F198 HydrophobicContact CG2-CE2 4.44Å; I196-F198 PolarHBondContact O-N 2.91Å
197F49.1Very low48.3Very low162 Ų162117.6 Ų117.671%0.71163%0.631SS**  trans-72.3109.3171.3-69.3-73.6000109.3S195 V199S195-F197 WeakPolarHBondContact O-CD2 3.38Å; S195-F197 PolarHBondContact O-N 2.88Å; F197-V199 VanDerWaalsContact C-N 3.35Å; F197-V199 PolarHBondContact O-N 3.31Å
198F46.8Very low48.8Very low198 Ų198116.4 Ų116.487%0.86863%0.625SS**  trans-66.990.9171.3-105.1-99.2000110.3I196I196-F198 HydrophobicContact CG2-CD2 4.35Å; I196-F198 HydrophobicContact CG2-CE2 4.44Å; I196-F198 PolarHBondContact O-N 2.91Å
199V50.6Low49.1Very low70 Ų70115 Ų11542%0.42461%0.612SS.*  trans-79.7123.2172.4179.50000109F197 Q201 S203F197-V199 VanDerWaalsContact C-N 3.35Å; F197-V199 PolarHBondContact O-N 3.31Å; V199-Q201 PolarHBondContact O-N 2.87Å; V199-S203 WeakPolarHBondContact CG1-OG 3.41Å
200P52.3Low49.6Very low67 Ų67115.6 Ų115.644%0.43560%0.602SS.*  trans-62.8134.2172.5-21.533.8000111D202 S203P200-D202 PolarHBondContact O-N 3.49Å; P200-S203 WeakPolarHBondContact O-CB 3.38Å; P200-S203 PolarHBondContact O-N 3.47Å; P200-S203 VanDerWaalsContact O-N 3.12Å; P200-S203 PolarHBondContact O-OG 3.39Å
201Q54.7Low50.4Low197 Ų197119.3 Ų119.392%0.92161%0.609SS**THydrogen-bonded Turntrans-59-25.7-170.7-68.1178.7-16.600114V199V199-Q201 PolarHBondContact O-N 2.87Å
202D53.9Low51.2Low91 Ų91118 Ų11849%0.48761%0.608SS.*THydrogen-bonded Turntrans-96.310.6-176.7-48.6-60.3000114.4P200 Q224P200-D202 PolarHBondContact O-N 3.49Å; D202-Q224 WeakPolarHBondContact O-CG 3.46Å; D202-Q224 PolarHBondContact O-NE2 3.04Å; D202-Q224 VanDerWaalsContact O-NE2 3.09Å
203S53.8Low51.5Low21 Ų21114.7 Ų114.715%0.14759%0.588CS.*EExtended strand (participates in β ladder)trans-91.9131.9-17564.30000113.9V199 P200 I222V199-S203 WeakPolarHBondContact CG1-OG 3.41Å; P200-S203 WeakPolarHBondContact O-CB 3.38Å; P200-S203 PolarHBondContact O-N 3.47Å; P200-S203 VanDerWaalsContact O-N 3.12Å; P200-S203 PolarHBondContact O-OG 3.39Å; S203-I222 WeakPolarHBondContact CA-O 3.34Å
204I57.8Low52.2Low84 Ų84110.7 Ų110.743%0.43158%0.577SS.*EExtended strand (participates in β ladder)trans-91.7125.2173.3-59.2176.9000108.4V206 I222 Q224I204-V206 HydrophobicContact CG2-CG2 4.04Å; I204-I222 PolarHBondContact N-O 3.16Å; I204-I222 PolarHBondContact O-N 3.25Å; I204-Q224 HydrophobicContact CD1-CG 4.15Å; I204-Q224 HydrophobicContact CG1-CG 4.28Å
205I59.6Low52.6Low88 Ų88113.2 Ų113.245%0.45158%0.576SS.*EExtended strand (participates in β ladder)trans-91.4113.5175.3-51.7179.2000108.8C219 Y221I205-C219 HydrophobicContact CG2-CB 4.18Å; I205-Y221 HydrophobicContact CD1-CD1 4.38Å; I205-Y221 HydrophobicContact CD1-CE1 3.86Å; I205-Y221 HydrophobicContact CG1-CD1 3.91Å; I205-Y221 HydrophobicContact CG1-CE1 3.88Å
206V55.9Low52.7Low73 Ų73111.2 Ų111.244%0.44256%0.56SS.*EExtended strand (participates in β ladder)trans-106.6103.4174.7-176.20000109.2I204 C219 C220 I222I204-V206 HydrophobicContact CG2-CG2 4.04Å; V206-C219 WeakPolarHBondContact O-CA 3.41Å; V206-C220 PolarHBondContact N-O 3.22Å; V206-C220 PolarHBondContact O-N 3.28Å; V206-I222 HydrophobicContact CG2-CD1 3.79Å; V206-I222 HydrophobicContact CG2-CG1 4.41Å
207C58Low53.1Low47 Ų47112.9 Ų112.932%0.31856%0.557SS.*EExtended strand (participates in β ladder)trans-97.8124.5175.3-62.70000111.3Y209 Y218 C219C207-Y209 HydrophobicContact CB-CE2 4.3Å; C207-Y218 WeakPolarHBondContact CA-O 3.1Å; C207-C219 HydrophobicContact CB-CB 4.16Å; C207-C219 WeakPolarHBondContact CB-SG 3.49Å; C207-C219 WeakPolarHBondContact SG-CB 3.15Å; C207-C219 CovalentContact SG-SG 2.05Å; C207-C219 PolarHBondContact SG-SG 2.92Å
208S52.1Low53.5Low83 Ų83112.2 Ų112.258%0.5855%0.551SS**EExtended strand (participates in β ladder)trans-99.7128.9173.7-172.20000111Y218S208-Y218 PolarHBondContact N-O 2.87Å
209Y56.6Low54.2Low163 Ų163105.1 Ų105.164%0.63953%0.526SS*.EExtended strand (participates in β ladder)trans-103110.4-177.8-69-85000111.3C207 Q211C207-Y209 HydrophobicContact CB-CE2 4.3Å; Y209-Q211 PolarHBondContact O-N 2.7Å
210K48.5Very low54.4Low126 Ų126105.6 Ų105.655%0.54853%0.531SS..  trans-88.4106.7173-165.2-171.8-174.3177.80109.7N212 S213 D216K210-N212 PolarHBondContact O-N 3.04Å; K210-S213 PolarHBondContact O-N 2.85Å; K210-S213 VanDerWaalsContact O-N 3.13Å; K210-D216 WeakPolarHBondContact CD-OD2 2.99Å; K210-D216 IonicContact NZ-OD2 2.85Å; K210-D216 PolarHBondContact NZ-OD2 3.08Å
211Q54.7Low54.7Low193 Ų193109.1 Ų109.190%0.90254%0.537SS*.THydrogen-bonded Turntrans-57.9-10.8-167.2-69.8169.7-24.800116.2Y209Y209-Q211 PolarHBondContact O-N 2.7Å
212N53.8Low54.9Low158 Ų158104.2 Ų104.285%0.84552%0.516SS*.THydrogen-bonded Turntrans-98.96.4-179.5-66.723.1000114.5K210K210-N212 PolarHBondContact O-N 3.04Å
213S49.4Very low54.6Low45 Ų45103.1 Ų103.132%0.31551%0.51SS..  trans-153.1125.5172.9175.90000112.7K210 Y215 D216K210-S213 PolarHBondContact O-N 2.85Å; K210-S213 VanDerWaalsContact O-N 3.13Å; S213-Y215 PolarHBondContact O-N 3.01Å; S213-Y215 PolarHBondContact OG-N 2.97Å; S213-D216 PolarHBondContact OG-N 3.01Å
214P54.3Low54.5Low94 Ų94107.8 Ų107.861%0.6153%0.53SS*.THydrogen-bonded Turntrans-71.8-12.6177.829.5-34.2000113.9R217P214-R217 PolarHBondContact O-NE 2.96Å
215Y51.6Low54.2Low207 Ų207109.5 Ų109.581%0.81254%0.538SS*.THydrogen-bonded Turntrans-103.4-15.5-178.3-57.7-73.5000113.8S213 R217S213-Y215 PolarHBondContact O-N 3.01Å; S213-Y215 PolarHBondContact OG-N 2.97Å; Y215-R217 PolarHBondContact O-N 3.39Å
216D46.6Very low53.6Low34 Ų34114 Ų11418%0.18256%0.557CS.*  trans-85.256.9-175.6-154.929.6000110.6K210 S213 Y218K210-D216 WeakPolarHBondContact CD-OD2 2.99Å; K210-D216 IonicContact NZ-OD2 2.85Å; K210-D216 PolarHBondContact NZ-OD2 3.08Å; S213-D216 PolarHBondContact OG-N 3.01Å; D216-Y218 WeakPolarHBondContact OD1-CE2 3.41Å; D216-Y218 VanDerWaalsContact OD1-CZ 3.23Å; D216-Y218 PolarHBondContact OD1-OH 3.04Å
217R55.7Low53.3Low169 Ų169112.9 Ų112.964%0.63856%0.561SS**EExtended strand (participates in β ladder)trans-94.7109-178.7-58.2-173.6-162.6-174.65.2110.7P214 Y215P214-R217 PolarHBondContact O-NE 2.96Å; Y215-R217 PolarHBondContact O-N 3.39Å
218Y57Low52.5Low148 Ų148119.5 Ų119.558%0.5858%0.58SS**EExtended strand (participates in β ladder)trans-98.9110.1171.1-59.7-85000109.3C207 S208 D216C207-Y218 WeakPolarHBondContact CA-O 3.1Å; S208-Y218 PolarHBondContact N-O 2.87Å; D216-Y218 WeakPolarHBondContact OD1-CE2 3.41Å; D216-Y218 VanDerWaalsContact OD1-CZ 3.23Å; D216-Y218 PolarHBondContact OD1-OH 3.04Å
219C60.8Low52.5Low50 Ų50127.4 Ų127.434%0.33860%0.597SS.*EExtended strand (participates in β ladder)trans-108.4115172-63.50000109.4I205 V206 C207I205-C219 HydrophobicContact CG2-CB 4.18Å; V206-C219 WeakPolarHBondContact O-CA 3.41Å; C207-C219 HydrophobicContact CB-CB 4.16Å; C207-C219 WeakPolarHBondContact CB-SG 3.49Å; C207-C219 WeakPolarHBondContact SG-CB 3.15Å; C207-C219 CovalentContact SG-SG 2.05Å; C207-C219 PolarHBondContact SG-SG 2.92Å
220C54.8Low52.1Low80 Ų80124.3 Ų124.354%0.54159%0.592SS.*EExtended strand (participates in β ladder)trans-97.1127176.6-66.70000109.7V206 I222V206-C220 PolarHBondContact N-O 3.22Å; V206-C220 PolarHBondContact O-N 3.28Å; C220-I222 PolarHBondContact O-N 2.69Å
221Y60.3Low51.7Low141 Ų141126.7 Ų126.755%0.55360%0.604SS**EExtended strand (participates in β ladder)trans-86.2107.4173-62.7-87.2000109.2I205I205-Y221 HydrophobicContact CD1-CD1 4.38Å; I205-Y221 HydrophobicContact CD1-CE1 3.86Å; I205-Y221 HydrophobicContact CG1-CD1 3.91Å; I205-Y221 HydrophobicContact CG1-CE1 3.88Å
222I58.8Low51.2Low93 Ų93125.6 Ų125.648%0.47760%0.599SS.*EExtended strand (participates in β ladder)trans-94.2105.6175.2-56.6-178.4000107.8S203 I204 V206 C220 Q224S203-I222 WeakPolarHBondContact CA-O 3.34Å; I204-I222 PolarHBondContact N-O 3.16Å; I204-I222 PolarHBondContact O-N 3.25Å; V206-I222 HydrophobicContact CG2-CD1 3.79Å; V206-I222 HydrophobicContact CG2-CG1 4.41Å; C220-I222 PolarHBondContact O-N 2.69Å; I222-Q224 PolarHBondContact O-N 3.07Å
223N47Very low50.5Low69 Ų69124.1 Ų124.137%0.36960%0.596SS.*EExtended strand (participates in β ladder)trans-83.3109.9176.8-170.8-11.9000109.7I225 Q226N223-I225 PolarHBondContact O-N 3.47Å; N223-I225 VanDerWaalsContact O-N 3.09Å; N223-I225 PolarHBondContact OD1-N 3.02Å; N223-Q226 PolarHBondContact O-N 3.47Å
224Q51.6Low50Low118 Ų118128.1 Ų128.155%0.55161%0.613SS**G310 helixtrans-60.7-23.5-173.2-69.4-175.776.300113.7D202 I204 I222 Q226 G227D202-Q224 WeakPolarHBondContact O-CG 3.46Å; D202-Q224 PolarHBondContact O-NE2 3.04Å; D202-Q224 VanDerWaalsContact O-NE2 3.09Å; I204-Q224 HydrophobicContact CD1-CG 4.15Å; I204-Q224 HydrophobicContact CG1-CG 4.28Å; I222-Q224 PolarHBondContact O-N 3.07Å; Q224-Q226 PolarHBondContact O-N 3.22Å; Q224-Q226 VanDerWaalsContact O-N 3.16Å; Q224-G227 PolarHBondContact O-N 3.15Å
225I50.3Low49.2Very low120 Ų120133.7 Ų133.762%0.61564%0.644SS**G310 helixtrans-61.8-24.8-178.8-58.8174.7000111.9N223 G227N223-I225 PolarHBondContact O-N 3.47Å; N223-I225 VanDerWaalsContact O-N 3.09Å; N223-I225 PolarHBondContact OD1-N 3.02Å; I225-G227 PolarHBondContact O-N 3.01Å
226Q47.6Very low49Very low182 Ų182130.1 Ų130.185%0.8564%0.636SS**G310 helixtrans-83.716.5175.7-156138.536.100113.7N223 Q224N223-Q226 PolarHBondContact O-N 3.47Å; Q224-Q226 PolarHBondContact O-N 3.22Å; Q224-Q226 VanDerWaalsContact O-N 3.16Å
227G49Very low49.2Very low51 Ų51135.1 Ų135.153%0.52666%0.66SS.*G310 helixtrans-79.3-3.9173.700000116Q224 I225 W229Q224-G227 PolarHBondContact O-N 3.15Å; I225-G227 PolarHBondContact O-N 3.01Å; G227-W229 PolarHBondContact O-N 2.98Å; G227-W229 VanDerWaalsContact O-N 3.16Å
228R41.4Very low48.8Very low186 Ų186133.2 Ų133.270%0.70266%0.661SS**  trans-78.995.8171.3-95.4-165.372.2-141.76.2111.6D230R228-D230 IonicContact CZ-OD2 2.66Å; R228-D230 VanDerWaalsContact CZ-OD2 3.27Å; R228-D230 IonicContact NE-OD2 3.27Å; R228-D230 PolarHBondContact NE-OD2 3.31Å; R228-D230 VanDerWaalsContact NH2-CB 3.27Å; R228-D230 VanDerWaalsContact NH2-CG 3.28Å; R228-D230 IonicContact NH2-OD2 2.69Å; R228-D230 PolarHBondContact NH2-OD2 3.18Å; R228-D230 PolarHBondContact O-N 3.16Å
229W52.3Low48.3Very low248 Ų248132.4 Ų132.494%0.93967%0.666SS**  trans-65.491.2159.4-66.781.4000109.7G227G227-W229 PolarHBondContact O-N 2.98Å; G227-W229 VanDerWaalsContact O-N 3.16Å
230D48.3Very low47.5Very low99 Ų99137.5 Ų137.553%0.52969%0.686SS.*  trans-163.141.9-176-103.9-27.6000113.8R228R228-D230 IonicContact CZ-OD2 2.66Å; R228-D230 VanDerWaalsContact CZ-OD2 3.27Å; R228-D230 IonicContact NE-OD2 3.27Å; R228-D230 PolarHBondContact NE-OD2 3.31Å; R228-D230 VanDerWaalsContact NH2-CB 3.27Å; R228-D230 VanDerWaalsContact NH2-CG 3.28Å; R228-D230 IonicContact NH2-OD2 2.69Å; R228-D230 PolarHBondContact NH2-OD2 3.18Å; R228-D230 PolarHBondContact O-N 3.16Å
231H39.8Very low47Very low176 Ų176141.3 Ų141.382%0.81570%0.696SS**  trans-141.678.6166.1-81.9-53.7000112.1
232E45.4Very low46.1Very low169 Ų169141.4 Ų141.479%0.7971%0.706SS**  trans-61.3128.4149.6177.4176.5-147.400108.5I234E232-I234 HydrophobicContact CG-CG1 4.31Å
233T39.4Very low45.1Very low127 Ų127145.1 Ų145.178%0.77972%0.724SS**  trans-143.899.8167.2-53.30000108.6
234I37.2Very low45Very low130 Ų130151.4 Ų151.467%0.66775%0.754SS**  trans-81.6131.7172.1-61.2167000108.2E232E232-I234 HydrophobicContact CG-CG1 4.31Å
235V37.5Very low44.4Very low211 Ų211154.5 Ų154.5100%1.27977%0.772SS**  trans173.70135.9152.40000108.7

Retrieved 235 of 235 residues in 27.3 ms (Link to these results)