A0A093JVJ6_STRCA Loading...

DCN1-like protein

AlphaFold DB , UniProt , Accession A0A093JVJ6, Species STRCA (Struthio camelus australis), Gene n/a, Length 258 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
1N45.9Very low84.1Confident217 Ų21798.4 Ų98.4100%1.1650%0.5SS*.  0123.20-68.2-17.7000110.1
2K74.9Confident84.7Confident205 Ų205104.9 Ų104.989%0.89151%0.514SS*.PPolyproline II helixtrans-83.1124.7-178.2-109.5176.1177.2175.50109.7
3L83.7Confident85.2Confident47 Ų47104.4 Ų104.425%0.24651%0.509CS..PPolyproline II helixtrans-64.1142.6173.7-67.1173.1000111.6Q7 K8 V11 V26 W34L3-Q7 HydrophobicContact CB-CB 4.28Å; L3-Q7 HydrophobicContact CD2-CB 4.37Å; L3-K8 HydrophobicContact CB-CG 3.92Å; L3-K8 WeakPolarHBondContact O-CE 3.36Å; L3-V11 HydrophobicContact CD1-CG2 4.41Å; L3-V26 HydrophobicContact CD1-CG2 3.89Å; L3-W34 HydrophobicContact CD1-CH2 4.34Å; L3-W34 HydrophobicContact CD2-CH2 3.37Å; L3-W34 HydrophobicContact CD2-CZ2 3.69Å; L3-W34 HydrophobicContact CD2-CZ3 4.4Å; L3-W34 HydrophobicContact CG-CH2 4.46Å
4K89.6Confident85.7Confident149 Ų14996.9 Ų96.965%0.64847%0.473SS*.PPolyproline II helixtrans-66.1155.9172-65.2179.2-179.9178.30110.4S6 Q7 K8K4-S6 VanDerWaalsContact C-N 3.31Å; K4-S6 PolarHBondContact O-N 3.49Å; K4-Q7 HydrophobicContact CB-CB 4.48Å; K4-Q7 HydrophobicContact CB-CG 4.22Å; K4-Q7 WeakPolarHBondContact O-CB 3.4Å; K4-Q7 PolarHBondContact O-N 3.15Å; K4-K8 PolarHBondContact O-N 2.99Å; K4-K8 VanDerWaalsContact O-N 3.1Å
5S86.3Confident86Confident92 Ų9294.5 Ų94.564%0.64346%0.461SS*.Hα-helixtrans-55.1-45.8-179-160.60000112.3Q7 K8 D9S5-Q7 PolarHBondContact O-N 3.34Å; S5-K8 WeakPolarHBondContact O-CB 3.21Å; S5-K8 PolarHBondContact O-N 3.33Å; S5-K8 VanDerWaalsContact O-N 3.11Å; S5-D9 PolarHBondContact O-N 3.43Å; S5-D9 VanDerWaalsContact O-N 3.15Å
6S87.2Confident86.4Confident73 Ų7395.6 Ų95.651%0.5148%0.475SS..Hα-helixtrans-63.1-27.5177.656.30000114K4 K10K4-S6 VanDerWaalsContact C-N 3.31Å; K4-S6 PolarHBondContact O-N 3.49Å; S6-K10 WeakPolarHBondContact O-CG 3.36Å; S6-K10 PolarHBondContact O-N 3.11Å
7Q90Very high86.4Confident40 Ų4097.4 Ų97.419%0.18748%0.479CS..Hα-helixtrans-75.6-38.6175.4-71.4176.7-4100111L3 K4 S5 D9 K10 V11 W34L3-Q7 HydrophobicContact CB-CB 4.28Å; L3-Q7 HydrophobicContact CD2-CB 4.37Å; K4-Q7 HydrophobicContact CB-CB 4.48Å; K4-Q7 HydrophobicContact CB-CG 4.22Å; K4-Q7 WeakPolarHBondContact O-CB 3.4Å; K4-Q7 PolarHBondContact O-N 3.15Å; S5-Q7 PolarHBondContact O-N 3.34Å; Q7-D9 PolarHBondContact O-N 3.25Å; Q7-K10 PolarHBondContact O-N 3.1Å; Q7-V11 VanDerWaalsContact O-CG2 3.3Å; Q7-V11 WeakPolarHBondContact O-CG2 3.5Å; Q7-V11 PolarHBondContact O-N 3.25Å; Q7-W34 HydrophobicContact CB-CD2 4.24Å; Q7-W34 HydrophobicContact CB-CE3 3.64Å; Q7-W34 HydrophobicContact CB-CH2 3.84Å; Q7-W34 HydrophobicContact CB-CZ2 4.38Å; Q7-W34 HydrophobicContact CB-CZ3 3.42Å; Q7-W34 VanDerWaalsContact CB-CZ3 3.42Å; Q7-W34 HydrophobicContact CG-CD2 3.68Å; Q7-W34 HydrophobicContact CG-CE3 3.58Å; Q7-W34 HydrophobicContact CG-CG 4.31Å; Q7-W34 HydrophobicContact CG-CH2 4.16Å; Q7-W34 HydrophobicContact CG-CZ2 4.22Å; Q7-W34 HydrophobicContact CG-CZ3 3.83Å
8K90.9Very high86.4Confident104 Ų10492.8 Ų92.845%0.45246%0.458SS..Hα-helixtrans-64.5-38.8176.7-66.6-178.4179.4-175.90112.6L3 K4 S5 K10 V11 R12L3-K8 HydrophobicContact CB-CG 3.92Å; L3-K8 WeakPolarHBondContact O-CE 3.36Å; K4-K8 PolarHBondContact O-N 2.99Å; K4-K8 VanDerWaalsContact O-N 3.1Å; S5-K8 WeakPolarHBondContact O-CB 3.21Å; S5-K8 PolarHBondContact O-N 3.33Å; S5-K8 VanDerWaalsContact O-N 3.11Å; K8-K10 VanDerWaalsContact C-N 3.34Å; K8-V11 PolarHBondContact O-N 2.99Å; K8-R12 PolarHBondContact O-N 3.42Å
9D92.3Very high86.2Confident77 Ų7797.7 Ų97.741%0.41248%0.48SS..Hα-helixtrans-64.8-41.3177.4-64.7-33.9000111.1S5 Q7 R12 Q13S5-D9 PolarHBondContact O-N 3.43Å; S5-D9 VanDerWaalsContact O-N 3.15Å; Q7-D9 PolarHBondContact O-N 3.25Å; D9-R12 PolarHBondContact O-N 3Å; D9-Q13 WeakPolarHBondContact O-CG 3.45Å; D9-Q13 PolarHBondContact O-N 3.3Å
10K92.4Very high85.9Confident75 Ų7593.8 Ų93.833%0.32646%0.462SS..Hα-helixtrans-64-39.8174.1-70.4178.5177.2-1730112.6S6 Q7 K8 Q13 F14 L29 W34S6-K10 WeakPolarHBondContact O-CG 3.36Å; S6-K10 PolarHBondContact O-N 3.11Å; Q7-K10 PolarHBondContact O-N 3.1Å; K8-K10 VanDerWaalsContact C-N 3.34Å; K10-Q13 PolarHBondContact O-N 3.02Å; K10-F14 VanDerWaalsContact O-CB 3.29Å; K10-F14 WeakPolarHBondContact O-CB 3.03Å; K10-F14 PolarHBondContact O-N 2.88Å; K10-L29 HydrophobicContact CB-CD1 4.13Å; K10-L29 HydrophobicContact CB-CD2 4.45Å; K10-W34 HydrophobicContact CD-CB 4.4Å; K10-W34 WeakPolarHBondContact CD-O 3.41Å; K10-W34 WeakPolarHBondContact CE-O 3.33Å; K10-W34 PolarHBondContact NZ-O 2.7Å
11V92.3Very high85.7Confident3 Ų392.1 Ų92.12%0.01846%0.46CS..Hα-helixtrans-60-47.4174.5171.70000110.7L3 Q7 K8 Q13 F14 M15 E22 A25 V26 L29 W34L3-V11 HydrophobicContact CD1-CG2 4.41Å; Q7-V11 VanDerWaalsContact O-CG2 3.3Å; Q7-V11 WeakPolarHBondContact O-CG2 3.5Å; Q7-V11 PolarHBondContact O-N 3.25Å; K8-V11 PolarHBondContact O-N 2.99Å; V11-Q13 PolarHBondContact O-N 3.35Å; V11-F14 PolarHBondContact O-N 3.43Å; V11-M15 HydrophobicContact CG1-CG 4.48Å; V11-M15 HydrophobicContact CG1-SD 3.94Å; V11-M15 VanDerWaalsContact O-CG 3.25Å; V11-M15 WeakPolarHBondContact O-CG 3.29Å; V11-M15 PolarHBondContact O-N 2.97Å; V11-E22 HydrophobicContact CG1-CG 3.71Å; V11-A25 HydrophobicContact CG1-CB 3.99Å; V11-V26 HydrophobicContact CG1-CG2 4.13Å; V11-V26 HydrophobicContact CG2-CG2 3.64Å; V11-L29 HydrophobicContact CB-CD1 4.31Å; V11-L29 HydrophobicContact CG2-CD1 3.77Å; V11-W34 HydrophobicContact CG2-CH2 4.33Å; V11-W34 HydrophobicContact CG2-CZ3 3.82Å
12R91.4Very high87.6Confident177 Ų17787.7 Ų87.767%0.66843%0.432SS*.Hα-helixtrans-60.3-47.1177.1-76.8-175.9-174.8171-0.1112.1K8 D9 M15 V16K8-R12 PolarHBondContact O-N 3.42Å; D9-R12 PolarHBondContact O-N 3Å; R12-M15 PolarHBondContact O-N 3.16Å; R12-V16 WeakPolarHBondContact O-CG2 3.5Å; R12-V16 PolarHBondContact O-N 3.48Å
13Q90.9Very high87.9Confident98 Ų9882.7 Ų82.746%0.45841%0.41SS..Hα-helixtrans-62.8-44.2179.5-71.7177.7500111.5D9 K10 V11 M15 V16 F17 L36D9-Q13 WeakPolarHBondContact O-CG 3.45Å; D9-Q13 PolarHBondContact O-N 3.3Å; K10-Q13 PolarHBondContact O-N 3.02Å; V11-Q13 PolarHBondContact O-N 3.35Å; Q13-M15 PolarHBondContact O-N 3.38Å; Q13-V16 WeakPolarHBondContact O-CB 3.48Å; Q13-V16 PolarHBondContact O-N 3.38Å; Q13-V16 VanDerWaalsContact O-N 3.16Å; Q13-F17 HydrophobicContact CB-CD2 4.47Å; Q13-F17 HydrophobicContact CB-CE2 4.1Å; Q13-F17 WeakPolarHBondContact O-CD2 3.39Å; Q13-F17 WeakPolarHBondContact O-CG 3.3Å; Q13-F17 PolarHBondContact O-N 2.99Å; Q13-L36 HydrophobicContact CB-CD1 4.38Å; Q13-L36 HydrophobicContact CB-CD2 3.81Å
14F91.9Very high87.8Confident0 Ų080.8 Ų80.80%040%0.401CS..Hα-helixtrans-59.1-45.5176.3-172.5-82.6000112K10 V11 V16 F17 T18 S20 A25 C28 L29 L36 A39 F43K10-F14 VanDerWaalsContact O-CB 3.29Å; K10-F14 WeakPolarHBondContact O-CB 3.03Å; K10-F14 PolarHBondContact O-N 2.88Å; V11-F14 PolarHBondContact O-N 3.43Å; F14-V16 VanDerWaalsContact C-N 3.3Å; F14-V16 PolarHBondContact O-N 3.02Å; F14-F17 PolarHBondContact O-N 3.31Å; F14-T18 HydrophobicContact CD1-CG2 4.05Å; F14-T18 WeakPolarHBondContact CD1-OG1 3.16Å; F14-T18 HydrophobicContact CD2-CG2 4.47Å; F14-T18 HydrophobicContact CE1-CG2 3.71Å; F14-T18 WeakPolarHBondContact CE1-OG1 3.49Å; F14-T18 HydrophobicContact CE2-CG2 4.16Å; F14-T18 HydrophobicContact CG-CG2 4.43Å; F14-T18 HydrophobicContact CZ-CG2 3.78Å; F14-T18 WeakPolarHBondContact O-CB 3.41Å; F14-T18 WeakPolarHBondContact O-CG2 3.23Å; F14-T18 PolarHBondContact O-N 3.03Å; F14-T18 PolarHBondContact O-OG1 3.21Å; F14-S20 WeakPolarHBondContact CE1-OG 3.41Å; F14-A25 HydrophobicContact CB-CB 4.31Å; F14-A25 HydrophobicContact CD1-CB 3.47Å; F14-A25 VanDerWaalsContact CD1-CB 3.47Å; F14-A25 HydrophobicContact CE1-CB 4.14Å; F14-A25 HydrophobicContact CG-CB 4.19Å; F14-C28 HydrophobicContact CE1-CB 4.34Å; F14-C28 HydrophobicContact CE2-CB 4.26Å; F14-C28 HydrophobicContact CZ-CB 3.75Å; F14-L29 HydrophobicContact CB-CD1 3.98Å; F14-L29 HydrophobicContact CB-CG 4.43Å; F14-L29 HydrophobicContact CD2-CD2 4.18Å; F14-L29 HydrophobicContact CD2-CG 4.17Å; F14-L29 HydrophobicContact CG-CD1 4.36Å; F14-L29 HydrophobicContact CG-CG 4.36Å; F14-L36 HydrophobicContact CB-CD1 3.66Å; F14-L36 HydrophobicContact CD2-CD1 4.01Å; F14-L36 HydrophobicContact CG-CD1 4.35Å; F14-A39 HydrophobicContact CD2-CB 4.11Å; F14-A39 HydrophobicContact CE2-CB 3.69Å; F14-F43 HydrophobicContact CE1-CD2 4.49Å; F14-F43 HydrophobicContact CE2-CB 4.42Å; F14-F43 HydrophobicContact CZ-CB 3.82Å; F14-F43 HydrophobicContact CZ-CD2 4.17Å; F14-F43 AromaticContact CZ-CG 3.97Å; F14-F43 HydrophobicContact CZ-CG 3.97Å
15M90.8Very high87.7Confident61 Ų6173.7 Ų73.730%0.337%0.37SS..Hα-helixtrans-62-37.7176.6-70.1172.564.900112.1V11 R12 Q13 Q19 E22 A25V11-M15 HydrophobicContact CG1-CG 4.48Å; V11-M15 HydrophobicContact CG1-SD 3.94Å; V11-M15 VanDerWaalsContact O-CG 3.25Å; V11-M15 WeakPolarHBondContact O-CG 3.29Å; V11-M15 PolarHBondContact O-N 2.97Å; R12-M15 PolarHBondContact O-N 3.16Å; Q13-M15 PolarHBondContact O-N 3.38Å; M15-Q19 WeakPolarHBondContact O-CA 3.25Å; M15-Q19 PolarHBondContact O-N 3.43Å; M15-E22 HydrophobicContact CE-CB 4.09Å; M15-E22 WeakPolarHBondContact SD-CA 3.3Å; M15-E22 HydrophobicContact SD-CB 3.72Å; M15-E22 HydrophobicContact SD-CG 4.02Å; M15-A25 HydrophobicContact CG-CB 3.65Å
16V91.3Very high87.7Confident111 Ų11171.2 Ų71.267%0.67335%0.351SS*.Hα-helixtrans-64.7-43.1175.81700000111R12 Q13 F14R12-V16 WeakPolarHBondContact O-CG2 3.5Å; R12-V16 PolarHBondContact O-N 3.48Å; Q13-V16 WeakPolarHBondContact O-CB 3.48Å; Q13-V16 PolarHBondContact O-N 3.38Å; Q13-V16 VanDerWaalsContact O-N 3.16Å; F14-V16 VanDerWaalsContact C-N 3.3Å; F14-V16 PolarHBondContact O-N 3.02Å
17F87.4Confident87.6Confident126 Ų12669.2 Ų69.255%0.55334%0.337SS*.Hα-helixtrans-73.8-36-178.4-65.9-50.5000113.7Q13 F14 L36 T40Q13-F17 HydrophobicContact CB-CD2 4.47Å; Q13-F17 HydrophobicContact CB-CE2 4.1Å; Q13-F17 WeakPolarHBondContact O-CD2 3.39Å; Q13-F17 WeakPolarHBondContact O-CG 3.3Å; Q13-F17 PolarHBondContact O-N 2.99Å; F14-F17 PolarHBondContact O-N 3.31Å; F17-L36 HydrophobicContact CE2-CD2 4.14Å; F17-T40 HydrophobicContact CB-CG2 4.36Å
18T85.8Confident87.4Confident16 Ų1667.3 Ų67.310%0.09833%0.328CS..Hα-helixtrans-102.9-10.3-172.261.20000113.9F14 S20 T40 F43 F44F14-T18 HydrophobicContact CD1-CG2 4.05Å; F14-T18 WeakPolarHBondContact CD1-OG1 3.16Å; F14-T18 HydrophobicContact CD2-CG2 4.47Å; F14-T18 HydrophobicContact CE1-CG2 3.71Å; F14-T18 WeakPolarHBondContact CE1-OG1 3.49Å; F14-T18 HydrophobicContact CE2-CG2 4.16Å; F14-T18 HydrophobicContact CG-CG2 4.43Å; F14-T18 HydrophobicContact CZ-CG2 3.78Å; F14-T18 WeakPolarHBondContact O-CB 3.41Å; F14-T18 WeakPolarHBondContact O-CG2 3.23Å; F14-T18 PolarHBondContact O-N 3.03Å; F14-T18 PolarHBondContact O-OG1 3.21Å; T18-S20 PolarHBondContact O-N 2.63Å; T18-S20 VanDerWaalsContact O-N 3.09Å; T18-S20 WeakPolarHBondContact OG1-CB 3.16Å; T18-S20 PolarHBondContact OG1-N 2.96Å; T18-S20 PolarHBondContact OG1-OG 2.98Å; T18-T40 HydrophobicContact CG2-CG2 4.13Å; T18-F43 HydrophobicContact CG2-CD1 3.55Å; T18-F43 HydrophobicContact CG2-CE1 3.95Å; T18-F43 HydrophobicContact CG2-CG 4.15Å; T18-F44 HydrophobicContact CG2-CE2 4.22Å; T18-F44 HydrophobicContact CG2-CZ 4.22Å
19Q82.4Confident87.4Confident186 Ų18662.4 Ų62.487%0.86931%0.307SS*.  trans51.923.4-168.3-57-169.89.100114M15M15-Q19 WeakPolarHBondContact O-CA 3.25Å; M15-Q19 PolarHBondContact O-N 3.43Å
20S80.1Confident87.2Confident18 Ų1861.5 Ų61.513%0.12631%0.306CS..  trans-85.1166.5-178.368.60000113.1F14 T18F14-S20 WeakPolarHBondContact CE1-OG 3.41Å; T18-S20 PolarHBondContact O-N 2.63Å; T18-S20 VanDerWaalsContact O-N 3.09Å; T18-S20 WeakPolarHBondContact OG1-CB 3.16Å; T18-S20 PolarHBondContact OG1-N 2.96Å; T18-S20 PolarHBondContact OG1-OG 2.98Å
21S82.7Confident86.9Confident60 Ų6062.3 Ų62.342%0.4231%0.311SS..  trans-69.4154.3175.981.30000112K23 T24 A25S21-K23 PolarHBondContact O-N 3.26Å; S21-K23 VanDerWaalsContact O-N 3.15Å; S21-T24 PolarHBondContact O-N 2.88Å; S21-T24 PolarHBondContact OG-N 3Å; S21-T24 VanDerWaalsContact OG-N 3.17Å; S21-T24 PolarHBondContact OG-OG1 3.09Å; S21-A25 PolarHBondContact O-N 2.76Å
22E84.7Confident86.8Confident123 Ų12363.1 Ų63.158%0.57532%0.315SS*.Hα-helixtrans-55.2-35.9176.1-169178.3-178.400112V11 M15 A25 V26V11-E22 HydrophobicContact CG1-CG 3.71Å; M15-E22 HydrophobicContact CE-CB 4.09Å; M15-E22 WeakPolarHBondContact SD-CA 3.3Å; M15-E22 HydrophobicContact SD-CB 3.72Å; M15-E22 HydrophobicContact SD-CG 4.02Å; E22-A25 PolarHBondContact O-N 3.37Å; E22-V26 WeakPolarHBondContact O-CB 3.35Å; E22-V26 VanDerWaalsContact O-CG2 3.25Å; E22-V26 WeakPolarHBondContact O-CG2 3.25Å; E22-V26 PolarHBondContact O-N 3.48Å
23K81.9Confident86.7Confident100 Ų10060.8 Ų60.844%0.43532%0.316SS..Hα-helixtrans-65.8-45177.4-169.3-177.5-175-178.10112.2S21 V26 S27 S54 G57S21-K23 PolarHBondContact O-N 3.26Å; S21-K23 VanDerWaalsContact O-N 3.15Å; K23-V26 PolarHBondContact O-N 3.42Å; K23-S27 PolarHBondContact O-N 2.87Å; K23-S54 PolarHBondContact NZ-O 3.26Å; K23-G57 PolarHBondContact NZ-O 2.9Å
24T81.9Confident86.7Confident7 Ų758.1 Ų58.14%0.04330%0.302CS..Hα-helixtrans-63.6-44.4176.5-51.60000110.5S21 V26 S27 C28 F43 S54S21-T24 PolarHBondContact O-N 2.88Å; S21-T24 PolarHBondContact OG-N 3Å; S21-T24 VanDerWaalsContact OG-N 3.17Å; S21-T24 PolarHBondContact OG-OG1 3.09Å; T24-V26 PolarHBondContact O-N 2.91Å; T24-S27 PolarHBondContact O-N 2.73Å; T24-C28 WeakPolarHBondContact O-CB 3.37Å; T24-C28 PolarHBondContact O-N 2.66Å; T24-F43 HydrophobicContact CG2-CD2 4.45Å; T24-F43 HydrophobicContact CG2-CE2 3.9Å; T24-S54 WeakPolarHBondContact OG1-CB 3.48Å
25A86.7Confident86.8Confident0 Ų063.5 Ų63.50%033%0.325CS..Hα-helixtrans-59.7-45.3176.600000112V11 F14 M15 S21 E22 L29V11-A25 HydrophobicContact CG1-CB 3.99Å; F14-A25 HydrophobicContact CB-CB 4.31Å; F14-A25 HydrophobicContact CD1-CB 3.47Å; F14-A25 VanDerWaalsContact CD1-CB 3.47Å; F14-A25 HydrophobicContact CE1-CB 4.14Å; F14-A25 HydrophobicContact CG-CB 4.19Å; M15-A25 HydrophobicContact CG-CB 3.65Å; S21-A25 PolarHBondContact O-N 2.76Å; E22-A25 PolarHBondContact O-N 3.37Å; A25-L29 VanDerWaalsContact O-CB 3.22Å; A25-L29 WeakPolarHBondContact O-CB 3.29Å; A25-L29 WeakPolarHBondContact O-CD1 3.32Å; A25-L29 VanDerWaalsContact O-CG 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.42Å; A25-L29 PolarHBondContact O-N 3.43Å
26V87.4Confident86.8Confident41 Ų4161.9 Ų61.925%0.24832%0.318CS..Hα-helixtrans-64-43.5176.1170.80000111.7L3 V11 E22 K23 T24 S30L3-V26 HydrophobicContact CD1-CG2 3.89Å; V11-V26 HydrophobicContact CG1-CG2 4.13Å; V11-V26 HydrophobicContact CG2-CG2 3.64Å; E22-V26 WeakPolarHBondContact O-CB 3.35Å; E22-V26 VanDerWaalsContact O-CG2 3.25Å; E22-V26 WeakPolarHBondContact O-CG2 3.25Å; E22-V26 PolarHBondContact O-N 3.48Å; K23-V26 PolarHBondContact O-N 3.42Å; T24-V26 PolarHBondContact O-N 2.91Å; V26-S30 WeakPolarHBondContact O-CB 3.41Å; V26-S30 PolarHBondContact O-N 3.46Å; V26-S30 PolarHBondContact O-OG 3.49Å
27S84.2Confident86.8Confident31 Ų3161.9 Ų61.922%0.21731%0.314CS..Hα-helixtrans-61.1-53.6178.1-157.10000111K23 T24 L29 S30 Q31 E53K23-S27 PolarHBondContact O-N 2.87Å; T24-S27 PolarHBondContact O-N 2.73Å; S27-L29 PolarHBondContact O-N 3.33Å; S27-S30 PolarHBondContact O-N 2.99Å; S27-S30 VanDerWaalsContact O-N 3.16Å; S27-S30 PolarHBondContact O-OG 3.24Å; S27-Q31 WeakPolarHBondContact O-CG 3.46Å; S27-Q31 PolarHBondContact O-N 3.4Å; S27-Q31 VanDerWaalsContact O-N 3.11Å; S27-E53 PolarHBondContact OG-OE2 2.9Å
28C86.9Confident86.9Confident0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-62.1-45.7-177.1-167.60000111.8F14 T24 S30 Q31 N32 A39 Y50F14-C28 HydrophobicContact CE1-CB 4.34Å; F14-C28 HydrophobicContact CE2-CB 4.26Å; F14-C28 HydrophobicContact CZ-CB 3.75Å; T24-C28 WeakPolarHBondContact O-CB 3.37Å; T24-C28 PolarHBondContact O-N 2.66Å; C28-S30 VanDerWaalsContact C-N 3.34Å; C28-S30 PolarHBondContact O-N 2.96Å; C28-Q31 PolarHBondContact O-N 3.06Å; C28-N32 PolarHBondContact O-N 3.45Å; C28-N32 PolarHBondContact O-ND2 3.3Å; C28-A39 PolarHBondContact SG-O 2.92Å; C28-A39 VanDerWaalsContact SG-O 3.33Å; C28-Y50 HydrophobicContact CB-CD1 3.76Å; C28-Y50 HydrophobicContact CB-CE1 3.89Å; C28-Y50 HydrophobicContact CB-CG 4.23Å; C28-Y50 VanDerWaalsContact SG-CE1 3.6Å; C28-Y50 VanDerWaalsContact SG-CZ 3.56Å
29L89.7Confident87.1Confident0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-64.5-38.2176-73.3166.2000112.1K10 V11 F14 A25 S27 Q31 N32 W34 L36 A39K10-L29 HydrophobicContact CB-CD1 4.13Å; K10-L29 HydrophobicContact CB-CD2 4.45Å; V11-L29 HydrophobicContact CB-CD1 4.31Å; V11-L29 HydrophobicContact CG2-CD1 3.77Å; F14-L29 HydrophobicContact CB-CD1 3.98Å; F14-L29 HydrophobicContact CB-CG 4.43Å; F14-L29 HydrophobicContact CD2-CD2 4.18Å; F14-L29 HydrophobicContact CD2-CG 4.17Å; F14-L29 HydrophobicContact CG-CD1 4.36Å; F14-L29 HydrophobicContact CG-CG 4.36Å; A25-L29 VanDerWaalsContact O-CB 3.22Å; A25-L29 WeakPolarHBondContact O-CB 3.29Å; A25-L29 WeakPolarHBondContact O-CD1 3.32Å; A25-L29 VanDerWaalsContact O-CG 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.42Å; A25-L29 PolarHBondContact O-N 3.43Å; S27-L29 PolarHBondContact O-N 3.33Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.94Å; L29-N32 PolarHBondContact O-N 3.18Å; L29-W34 HydrophobicContact CB-CD2 4.23Å; L29-W34 HydrophobicContact CB-CE3 3.79Å; L29-W34 HydrophobicContact CB-CZ3 3.99Å; L29-W34 HydrophobicContact CD1-CE3 4.32Å; L29-W34 HydrophobicContact CD1-CZ3 4.2Å; L29-W34 VanDerWaalsContact O-CA 3.23Å; L29-W34 WeakPolarHBondContact O-CA 3.21Å; L29-W34 PolarHBondContact O-N 3.15Å; L29-L36 HydrophobicContact CD2-CD1 4.15Å; L29-A39 HydrophobicContact CD2-CB 3.88Å; L29-A39 HydrophobicContact CG-CB 4.46Å
30S88.8Confident87.4Confident58 Ų5850 Ų5041%0.40627%0.265SS..Hα-helixtrans-66.6-32.3-179.7730000113.5V26 S27 C28V26-S30 WeakPolarHBondContact O-CB 3.41Å; V26-S30 PolarHBondContact O-N 3.46Å; V26-S30 PolarHBondContact O-OG 3.49Å; S27-S30 PolarHBondContact O-N 2.99Å; S27-S30 VanDerWaalsContact O-N 3.16Å; S27-S30 PolarHBondContact O-OG 3.24Å; C28-S30 VanDerWaalsContact C-N 3.34Å; C28-S30 PolarHBondContact O-N 2.96Å
31Q85.1Confident87.8Confident93 Ų9354 Ų5444%0.43529%0.285SS..Hα-helixtrans-82.2-19179.5-69.5177.114.900113.7S27 C28 L29 E53S27-Q31 WeakPolarHBondContact O-CG 3.46Å; S27-Q31 PolarHBondContact O-N 3.4Å; S27-Q31 VanDerWaalsContact O-N 3.11Å; C28-Q31 PolarHBondContact O-N 3.06Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.94Å; Q31-E53 PolarHBondContact NE2-OE1 2.87Å; Q31-E53 PolarHBondContact NE2-OE2 3.35Å
32N90.2Very high88Confident19 Ų1953.2 Ų53.210%0.10228%0.276CS..THydrogen-bonded Turntrans-110.136.6-179.4-66.3-83.3000111.2C28 L29 W34 K35 V38 A39 N42 Y50C28-N32 PolarHBondContact O-N 3.45Å; C28-N32 PolarHBondContact O-ND2 3.3Å; L29-N32 PolarHBondContact O-N 3.18Å; N32-W34 PolarHBondContact O-N 3.38Å; N32-K35 WeakPolarHBondContact O-CB 3.23Å; N32-K35 PolarHBondContact O-N 3.25Å; N32-V38 HydrophobicContact CB-CG1 4.4Å; N32-A39 HydrophobicContact CB-CB 3.96Å; N32-N42 PolarHBondContact OD1-ND2 2.93Å; N32-N42 VanDerWaalsContact OD1-ND2 3.15Å; N32-Y50 PolarHBondContact ND2-OH 3.33Å
33D90.2Very high88.1Confident129 Ų12948.3 Ų48.369%0.6925%0.252SS*.THydrogen-bonded Turntrans52.128.7177.9-63.8-44.5000114.9K35D33-K35 PolarHBondContact O-N 3.45Å
34W91.6Very high88.4Confident42 Ų4249.2 Ų49.216%0.15926%0.257CS..THydrogen-bonded Turntrans57.727.6-173.7-61.180.4000113.7L3 Q7 K10 V11 L29 N32L3-W34 HydrophobicContact CD1-CH2 4.34Å; L3-W34 HydrophobicContact CD2-CH2 3.37Å; L3-W34 HydrophobicContact CD2-CZ2 3.69Å; L3-W34 HydrophobicContact CD2-CZ3 4.4Å; L3-W34 HydrophobicContact CG-CH2 4.46Å; Q7-W34 HydrophobicContact CB-CD2 4.24Å; Q7-W34 HydrophobicContact CB-CE3 3.64Å; Q7-W34 HydrophobicContact CB-CH2 3.84Å; Q7-W34 HydrophobicContact CB-CZ2 4.38Å; Q7-W34 HydrophobicContact CB-CZ3 3.42Å; Q7-W34 VanDerWaalsContact CB-CZ3 3.42Å; Q7-W34 HydrophobicContact CG-CD2 3.68Å; Q7-W34 HydrophobicContact CG-CE3 3.58Å; Q7-W34 HydrophobicContact CG-CG 4.31Å; Q7-W34 HydrophobicContact CG-CH2 4.16Å; Q7-W34 HydrophobicContact CG-CZ2 4.22Å; Q7-W34 HydrophobicContact CG-CZ3 3.83Å; K10-W34 HydrophobicContact CD-CB 4.4Å; K10-W34 WeakPolarHBondContact CD-O 3.41Å; K10-W34 WeakPolarHBondContact CE-O 3.33Å; K10-W34 PolarHBondContact NZ-O 2.7Å; V11-W34 HydrophobicContact CG2-CH2 4.33Å; V11-W34 HydrophobicContact CG2-CZ3 3.82Å; L29-W34 HydrophobicContact CB-CD2 4.23Å; L29-W34 HydrophobicContact CB-CE3 3.79Å; L29-W34 HydrophobicContact CB-CZ3 3.99Å; L29-W34 HydrophobicContact CD1-CE3 4.32Å; L29-W34 HydrophobicContact CD1-CZ3 4.2Å; L29-W34 VanDerWaalsContact O-CA 3.23Å; L29-W34 WeakPolarHBondContact O-CA 3.21Å; L29-W34 PolarHBondContact O-N 3.15Å; N32-W34 PolarHBondContact O-N 3.38Å
35K92.6Very high88.5Confident112 Ų11255.6 Ų55.649%0.48729%0.286SS..  trans-86.9113.6171.3-65.3179.3-176.5170.80109.2N32 D33 V38 A39N32-K35 WeakPolarHBondContact O-CB 3.23Å; N32-K35 PolarHBondContact O-N 3.25Å; D33-K35 PolarHBondContact O-N 3.45Å; K35-V38 HydrophobicContact CB-CB 4.03Å; K35-V38 HydrophobicContact CB-CG2 3.98Å; K35-V38 HydrophobicContact CD-CG2 4.17Å; K35-A39 WeakPolarHBondContact O-CB 3.26Å; K35-A39 PolarHBondContact O-N 3.43Å
36L90.6Very high88.2Confident28 Ų2858.8 Ų58.815%0.14730%0.303CS..Hα-helixtrans-68.7-45-168.817866.2000112.1Q13 F14 F17 L29 T40Q13-L36 HydrophobicContact CB-CD1 4.38Å; Q13-L36 HydrophobicContact CB-CD2 3.81Å; F14-L36 HydrophobicContact CB-CD1 3.66Å; F14-L36 HydrophobicContact CD2-CD1 4.01Å; F14-L36 HydrophobicContact CG-CD1 4.35Å; F17-L36 HydrophobicContact CE2-CD2 4.14Å; L29-L36 HydrophobicContact CD2-CD1 4.15Å; L36-T40 VanDerWaalsContact O-CB 3.3Å; L36-T40 WeakPolarHBondContact O-CB 3.22Å; L36-T40 PolarHBondContact O-N 3.4Å; L36-T40 PolarHBondContact O-OG1 2.98Å
37D91.1Very high87.4Confident110 Ų11059.3 Ų59.359%0.58831%0.307SS*.Hα-helixtrans-55.7-55.4174.351.8-26.1000111.5A39 T40 D41D37-A39 PolarHBondContact O-N 2.81Å; D37-T40 PolarHBondContact O-N 2.88Å; D37-D41 PolarHBondContact O-N 3.17Å
38V90.5Very high86.6Confident63 Ų6364.1 Ų64.138%0.38233%0.326SS..Hα-helixtrans-62.8-44-179.4-178.10000111.5N32 K35 T40 N42N32-V38 HydrophobicContact CB-CG1 4.4Å; K35-V38 HydrophobicContact CB-CB 4.03Å; K35-V38 HydrophobicContact CB-CG2 3.98Å; K35-V38 HydrophobicContact CD-CG2 4.17Å; V38-T40 VanDerWaalsContact C-N 3.31Å; V38-T40 PolarHBondContact O-N 3.15Å; V38-N42 VanDerWaalsContact O-CB 3.26Å; V38-N42 WeakPolarHBondContact O-CB 3.18Å; V38-N42 PolarHBondContact O-N 3.16Å
39A88.8Confident85.8Confident0 Ų068.8 Ų68.80%035%0.351CS..Hα-helixtrans-62.6-39.9178.300000111.7F14 C28 L29 N32 K35 D37 F43F14-A39 HydrophobicContact CD2-CB 4.11Å; F14-A39 HydrophobicContact CE2-CB 3.69Å; C28-A39 PolarHBondContact SG-O 2.92Å; C28-A39 VanDerWaalsContact SG-O 3.33Å; L29-A39 HydrophobicContact CD2-CB 3.88Å; L29-A39 HydrophobicContact CG-CB 4.46Å; N32-A39 HydrophobicContact CB-CB 3.96Å; K35-A39 WeakPolarHBondContact O-CB 3.26Å; K35-A39 PolarHBondContact O-N 3.43Å; D37-A39 PolarHBondContact O-N 2.81Å; A39-F43 VanDerWaalsContact O-CB 3.32Å; A39-F43 WeakPolarHBondContact O-CB 3.36Å; A39-F43 PolarHBondContact O-N 3.06Å
40T89.1Confident84.6Confident17 Ų1769.2 Ų69.210%0.10435%0.352CS..Hα-helixtrans-69.5-45.2-177.2-55.70000110.6F17 T18 L36 D37 V38 N42 F43 F44F17-T40 HydrophobicContact CB-CG2 4.36Å; T18-T40 HydrophobicContact CG2-CG2 4.13Å; L36-T40 VanDerWaalsContact O-CB 3.3Å; L36-T40 WeakPolarHBondContact O-CB 3.22Å; L36-T40 PolarHBondContact O-N 3.4Å; L36-T40 PolarHBondContact O-OG1 2.98Å; D37-T40 PolarHBondContact O-N 2.88Å; V38-T40 VanDerWaalsContact C-N 3.31Å; V38-T40 PolarHBondContact O-N 3.15Å; T40-N42 PolarHBondContact O-N 2.75Å; T40-F43 PolarHBondContact O-N 2.92Å; T40-F44 HydrophobicContact CG2-CD2 3.8Å; T40-F44 HydrophobicContact CG2-CE2 3.48Å; T40-F44 VanDerWaalsContact CG2-CE2 3.48Å; T40-F44 WeakPolarHBondContact O-CD2 3.45Å; T40-F44 PolarHBondContact O-N 3.28Å
41D89.7Confident83.3Confident101 Ų10170.1 Ų70.154%0.5435%0.352SS..Hα-helixtrans-60.9-45.2174.7-81.3-6.4000111.6D37 F43 F44 Q45D37-D41 PolarHBondContact O-N 3.17Å; D41-F43 VanDerWaalsContact C-N 3.3Å; D41-F43 PolarHBondContact O-N 2.91Å; D41-F44 PolarHBondContact O-N 2.87Å; D41-Q45 WeakPolarHBondContact O-CB 3.41Å; D41-Q45 VanDerWaalsContact O-CG 3.29Å; D41-Q45 WeakPolarHBondContact O-CG 3.36Å; D41-Q45 PolarHBondContact O-N 3.11Å
42N86.5Confident82Confident44 Ų4472.3 Ų72.324%0.23536%0.356CS..Hα-helixtrans-65.6-34.7179.8-157.4-6.1000111.8N32 V38 T40 N46 Y50N32-N42 PolarHBondContact OD1-ND2 2.93Å; N32-N42 VanDerWaalsContact OD1-ND2 3.15Å; V38-N42 VanDerWaalsContact O-CB 3.26Å; V38-N42 WeakPolarHBondContact O-CB 3.18Å; V38-N42 PolarHBondContact O-N 3.16Å; T40-N42 PolarHBondContact O-N 2.75Å; N42-N46 PolarHBondContact O-N 3.16Å; N42-N46 PolarHBondContact OD1-ND2 3.27Å; N42-Y50 PolarHBondContact ND2-OH 2.78Å; N42-Y50 VanDerWaalsContact ND2-OH 3.16Å
43F86.8Confident80.3Confident19 Ų1974.9 Ų74.98%0.08337%0.368CS..Hα-helixtrans-65-43.2173.5178.5-94.1000112.4F14 T18 T24 A39 T40 D41 N46 P47 Y50F14-F43 HydrophobicContact CE1-CD2 4.49Å; F14-F43 HydrophobicContact CE2-CB 4.42Å; F14-F43 HydrophobicContact CZ-CB 3.82Å; F14-F43 HydrophobicContact CZ-CD2 4.17Å; F14-F43 AromaticContact CZ-CG 3.97Å; F14-F43 HydrophobicContact CZ-CG 3.97Å; T18-F43 HydrophobicContact CG2-CD1 3.55Å; T18-F43 HydrophobicContact CG2-CE1 3.95Å; T18-F43 HydrophobicContact CG2-CG 4.15Å; T24-F43 HydrophobicContact CG2-CD2 4.45Å; T24-F43 HydrophobicContact CG2-CE2 3.9Å; A39-F43 VanDerWaalsContact O-CB 3.32Å; A39-F43 WeakPolarHBondContact O-CB 3.36Å; A39-F43 PolarHBondContact O-N 3.06Å; T40-F43 PolarHBondContact O-N 2.92Å; D41-F43 VanDerWaalsContact C-N 3.3Å; D41-F43 PolarHBondContact O-N 2.91Å; F43-N46 CarbonylContact O-C 3.37Å; F43-P47 WeakPolarHBondContact O-CA 3.2Å; F43-P47 WeakPolarHBondContact O-CD 3.36Å; F43-P47 WeakPolarHBondContact O-CG 3.42Å; F43-Y50 HydrophobicContact CB-CD2 4.37Å; F43-Y50 AromaticContact CD2-CD2 4Å; F43-Y50 HydrophobicContact CD2-CD2 4Å; F43-Y50 HydrophobicContact CD2-CG 4.24Å
44F87.2Confident78.6Confident119 Ų11970 Ų7052%0.52234%0.343SS..Hα-helixtrans-73.7-31.3178.5-74.6-62000113.1T18 T40 D41T18-F44 HydrophobicContact CG2-CE2 4.22Å; T18-F44 HydrophobicContact CG2-CZ 4.22Å; T40-F44 HydrophobicContact CG2-CD2 3.8Å; T40-F44 HydrophobicContact CG2-CE2 3.48Å; T40-F44 VanDerWaalsContact CG2-CE2 3.48Å; T40-F44 WeakPolarHBondContact O-CD2 3.45Å; T40-F44 PolarHBondContact O-N 3.28Å; D41-F44 PolarHBondContact O-N 2.87Å
45Q85.4Confident76.8Confident142 Ų14270.5 Ų70.566%0.66435%0.351SS*.Hα-helixtrans-73.4-34.8174.6-71.5176.87.700112.3D41D41-Q45 WeakPolarHBondContact O-CB 3.41Å; D41-Q45 VanDerWaalsContact O-CG 3.29Å; D41-Q45 WeakPolarHBondContact O-CG 3.36Å; D41-Q45 PolarHBondContact O-N 3.11Å
46N80.4Confident74.7Confident67 Ų6771.1 Ų71.136%0.35835%0.354SS..  trans-134.364.7-177.9-57.4-69.3000113.1N42 F43 E48 L49N42-N46 PolarHBondContact O-N 3.16Å; N42-N46 PolarHBondContact OD1-ND2 3.27Å; F43-N46 CarbonylContact O-C 3.37Å; N46-E48 PolarHBondContact O-N 3.39Å; N46-L49 HydrophobicContact CB-CB 4.42Å; N46-L49 HydrophobicContact CB-CD1 3.64Å; N46-L49 HydrophobicContact CB-CG 4.05Å; N46-L49 PolarHBondContact O-N 3.3Å
47P69.6Low72.9Confident51 Ų5172.1 Ų72.133%0.33137%0.371SS..Hα-helixtrans-60.1-36.4-175.9-19.730.7000112.4F43 L49 Y50 I51F43-P47 WeakPolarHBondContact O-CA 3.2Å; F43-P47 WeakPolarHBondContact O-CD 3.36Å; F43-P47 WeakPolarHBondContact O-CG 3.42Å; P47-L49 VanDerWaalsContact C-N 3.32Å; P47-L49 PolarHBondContact O-N 3.21Å; P47-Y50 PolarHBondContact O-N 3.09Å; P47-I51 HydrophobicContact CB-CD1 4.36Å; P47-I51 VanDerWaalsContact O-CG1 3.25Å; P47-I51 WeakPolarHBondContact O-CG1 3.25Å; P47-I51 PolarHBondContact O-N 3.14Å; P47-I51 VanDerWaalsContact O-N 3.09Å
48E68.6Low71.5Confident133 Ų13370.1 Ų70.162%0.62137%0.365SS*.Hα-helixtrans-61.3-33.4-177.7-69.1-65.5154.900113.7N46 R52N46-E48 PolarHBondContact O-N 3.39Å; E48-R52 WeakPolarHBondContact O-CB 3.33Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 3.36Å
49L69.1Low71Confident97 Ų9768.5 Ų68.551%0.50835%0.354SS..Hα-helixtrans-65.7-45.6-179.1-71176.8000111.4N46 P47 E53N46-L49 HydrophobicContact CB-CB 4.42Å; N46-L49 HydrophobicContact CB-CD1 3.64Å; N46-L49 HydrophobicContact CB-CG 4.05Å; N46-L49 PolarHBondContact O-N 3.3Å; P47-L49 VanDerWaalsContact C-N 3.32Å; P47-L49 PolarHBondContact O-N 3.21Å; L49-E53 PolarHBondContact O-N 3.1Å; L49-E53 VanDerWaalsContact O-N 3.1Å
50Y65.1Low70.9Confident10 Ų1071.5 Ų71.54%0.03937%0.37CS..Hα-helixtrans-82-30.6-175.5-61-69.7000112.6C28 N32 N42 F43 P47 S54C28-Y50 HydrophobicContact CB-CD1 3.76Å; C28-Y50 HydrophobicContact CB-CE1 3.89Å; C28-Y50 HydrophobicContact CB-CG 4.23Å; C28-Y50 VanDerWaalsContact SG-CE1 3.6Å; C28-Y50 VanDerWaalsContact SG-CZ 3.56Å; N32-Y50 PolarHBondContact ND2-OH 3.33Å; N42-Y50 PolarHBondContact ND2-OH 2.78Å; N42-Y50 VanDerWaalsContact ND2-OH 3.16Å; F43-Y50 HydrophobicContact CB-CD2 4.37Å; F43-Y50 AromaticContact CD2-CD2 4Å; F43-Y50 HydrophobicContact CD2-CD2 4Å; F43-Y50 HydrophobicContact CD2-CG 4.24Å; P47-Y50 PolarHBondContact O-N 3.09Å; Y50-S54 PolarHBondContact O-N 3.44Å
51I62Low70.9Confident77 Ų7779.3 Ų79.340%0.39540%0.398SS..Hα-helixtrans-64.7-47.6169.5-65.4170000109.3P47 E53 S54 V55P47-I51 HydrophobicContact CB-CD1 4.36Å; P47-I51 VanDerWaalsContact O-CG1 3.25Å; P47-I51 WeakPolarHBondContact O-CG1 3.25Å; P47-I51 PolarHBondContact O-N 3.14Å; P47-I51 VanDerWaalsContact O-N 3.09Å; I51-E53 VanDerWaalsContact C-N 3.34Å; I51-E53 PolarHBondContact O-N 3.02Å; I51-S54 PolarHBondContact O-N 2.74Å; I51-S54 VanDerWaalsContact O-N 3.14Å; I51-S54 PolarHBondContact O-OG 2.91Å; I51-V55 HydrophobicContact CG2-CG2 4.46Å; I51-V55 WeakPolarHBondContact O-CG2 3.21Å; I51-V55 PolarHBondContact O-N 3.06Å
52R56.9Low70.9Confident139 Ų13981.7 Ų81.753%0.52540%0.404SS..Hα-helixtrans-56.8-42.5175.5-90.5179.1159.8-177.2-5.9113E48 V55 K56E48-R52 WeakPolarHBondContact O-CB 3.33Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 3.36Å; R52-V55 PolarHBondContact O-N 3.44Å; R52-K56 WeakPolarHBondContact O-CB 3.45Å; R52-K56 WeakPolarHBondContact O-CG 3.45Å; R52-K56 PolarHBondContact O-N 2.97Å
53E55.7Low71.3Confident73 Ų7384.9 Ų84.934%0.34142%0.415SS..Hα-helixtrans-66.7-38.5176.1-81.7-170.4157.600113.5S27 Q31 L49 I51 V55 K56 G57S27-E53 PolarHBondContact OG-OE2 2.9Å; Q31-E53 PolarHBondContact NE2-OE1 2.87Å; Q31-E53 PolarHBondContact NE2-OE2 3.35Å; L49-E53 PolarHBondContact O-N 3.1Å; L49-E53 VanDerWaalsContact O-N 3.1Å; I51-E53 VanDerWaalsContact C-N 3.34Å; I51-E53 PolarHBondContact O-N 3.02Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 3.44Å; E53-K56 PolarHBondContact O-N 3.38Å; E53-G57 PolarHBondContact O-N 3.47Å
54S54.2Low71.6Confident26 Ų2684.2 Ų84.218%0.18241%0.413CS..Hα-helixtrans-64.1-37.8177.180.50000111.8K23 T24 Y50 I51 G57 S58K23-S54 PolarHBondContact NZ-O 3.26Å; T24-S54 WeakPolarHBondContact OG1-CB 3.48Å; Y50-S54 PolarHBondContact O-N 3.44Å; I51-S54 PolarHBondContact O-N 2.74Å; I51-S54 VanDerWaalsContact O-N 3.14Å; I51-S54 PolarHBondContact O-OG 2.91Å; S54-G57 PolarHBondContact O-N 2.76Å; S54-S58 PolarHBondContact O-N 2.85Å
55V52.9Low72Confident53 Ų5382.3 Ų82.332%0.32141%0.406SS..Hα-helixtrans-69.6-46.4174.7174.90000110.3I51 R52 E53 G57 S58 L59I51-V55 HydrophobicContact CG2-CG2 4.46Å; I51-V55 WeakPolarHBondContact O-CG2 3.21Å; I51-V55 PolarHBondContact O-N 3.06Å; R52-V55 PolarHBondContact O-N 3.44Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 3.44Å; V55-G57 PolarHBondContact O-N 2.82Å; V55-S58 WeakPolarHBondContact O-CA 3.41Å; V55-S58 WeakPolarHBondContact O-CB 3.37Å; V55-S58 PolarHBondContact O-N 3.44Å; V55-S58 PolarHBondContact O-OG 3.34Å; V55-L59 PolarHBondContact O-N 2.86Å
56K49.5Very low72.5Confident124 Ų12482 Ų8254%0.53940%0.404SS..Hα-helixtrans-56.5-37.7173.2-84.2-176.3175.4-176.90112.2R52 E53 S58 L59 T126R52-K56 WeakPolarHBondContact O-CB 3.45Å; R52-K56 WeakPolarHBondContact O-CG 3.45Å; R52-K56 PolarHBondContact O-N 2.97Å; E53-K56 PolarHBondContact O-N 3.38Å; K56-S58 PolarHBondContact O-N 3.46Å; K56-L59 PolarHBondContact O-N 3.29Å; K56-T126 HydrophobicContact CG-CG2 4.23Å
57G51.3Low73.3Confident49 Ų4979.9 Ų79.951%0.50539%0.393SS..THydrogen-bonded Turntrans-73-10.3174.600000114.4K23 E53 S54 V55K23-G57 PolarHBondContact NZ-O 2.9Å; E53-G57 PolarHBondContact O-N 3.47Å; S54-G57 PolarHBondContact O-N 2.76Å; V55-G57 PolarHBondContact O-N 2.82Å
58S63.2Low74.6Confident68 Ų6877.5 Ų77.548%0.47638%0.377SS..THydrogen-bonded Turntrans-97.6-13.1176.987.90000113.2S54 V55 K56 D60S54-S58 PolarHBondContact O-N 2.85Å; V55-S58 WeakPolarHBondContact O-CA 3.41Å; V55-S58 WeakPolarHBondContact O-CB 3.37Å; V55-S58 PolarHBondContact O-N 3.44Å; V55-S58 PolarHBondContact O-OG 3.34Å; K56-S58 PolarHBondContact O-N 3.46Å; S58-D60 PolarHBondContact O-N 3.29Å
59L79.3Confident76Confident29 Ų2975.1 Ų75.115%0.15237%0.368CS..  trans-73.7123.4179.9-67.8172.9000110.5V55 K56 R61 T126 G129 D131V55-L59 PolarHBondContact O-N 2.86Å; K56-L59 PolarHBondContact O-N 3.29Å; L59-R61 PolarHBondContact O-N 3.18Å; L59-T126 HydrophobicContact CD1-CG2 3.95Å; L59-G129 VanDerWaalsContact CD2-C 3.45Å; L59-D131 HydrophobicContact CD2-CB 4.01Å
60D87.4Confident77.4Confident63 Ų6377 Ų7734%0.33737%0.369SS..  trans-81.796.7172.2-170.1-22.3000109.6S58 K62 K63 L64 D131S58-D60 PolarHBondContact O-N 3.29Å; D60-K62 PolarHBondContact O-N 3.44Å; D60-K62 WeakPolarHBondContact OD1-CB 3.28Å; D60-K62 PolarHBondContact OD1-N 2.92Å; D60-K63 HydrophobicContact CB-CB 4.01Å; D60-K63 HydrophobicContact CB-CD 3.87Å; D60-K63 HydrophobicContact CB-CG 3.91Å; D60-K63 WeakPolarHBondContact O-CB 3.34Å; D60-K63 PolarHBondContact O-N 2.83Å; D60-K63 PolarHBondContact OD1-N 2.75Å; D60-K63 WeakPolarHBondContact OD2-CE 3.39Å; D60-K63 WeakPolarHBondContact OD2-CG 3.48Å; D60-L64 PolarHBondContact O-N 3.37Å; D60-D131 PolarHBondContact N-OD2 3.11Å
61R87.6Confident79Confident181 Ų18176.8 Ų76.868%0.68337%0.368SS*.Hα-helixtrans-56.9-31.6178.9-173.2172.6178.61484.3112.7L59 L64 E65L59-R61 PolarHBondContact O-N 3.18Å; R61-L64 PolarHBondContact O-N 3.1Å; R61-E65 IonicContact NE-OE1 3.54Å; R61-E65 WeakPolarHBondContact O-CG 3.23Å; R61-E65 PolarHBondContact O-N 2.83Å
62K90.9Very high80.7Confident152 Ų15275.7 Ų75.766%0.66136%0.36SS*.Hα-helixtrans-69.8-40177.5-69.2-176.7175.4-177.80111.3D60 L64 E65 Q66D60-K62 PolarHBondContact O-N 3.44Å; D60-K62 WeakPolarHBondContact OD1-CB 3.28Å; D60-K62 PolarHBondContact OD1-N 2.92Å; K62-L64 VanDerWaalsContact C-N 3.31Å; K62-E65 PolarHBondContact O-N 3.05Å; K62-Q66 VanDerWaalsContact O-CG 3.29Å; K62-Q66 WeakPolarHBondContact O-CG 3.24Å; K62-Q66 PolarHBondContact O-N 3.07Å
63K94.1Very high82.6Confident110 Ų11071 Ų7148%0.47835%0.346SS..Hα-helixtrans-62.4-41.5173-72.3-177-174.1-179.90111.4D60 E65 Q66 L67D60-K63 HydrophobicContact CB-CB 4.01Å; D60-K63 HydrophobicContact CB-CD 3.87Å; D60-K63 HydrophobicContact CB-CG 3.91Å; D60-K63 WeakPolarHBondContact O-CB 3.34Å; D60-K63 PolarHBondContact O-N 2.83Å; D60-K63 PolarHBondContact OD1-N 2.75Å; D60-K63 WeakPolarHBondContact OD2-CE 3.39Å; D60-K63 WeakPolarHBondContact OD2-CG 3.48Å; K63-E65 PolarHBondContact O-N 3.44Å; K63-Q66 PolarHBondContact O-N 3.46Å; K63-L67 WeakPolarHBondContact O-CB 3.44Å; K63-L67 PolarHBondContact O-N 3.12Å
64L93.5Very high84.5Confident6 Ų673 Ų733%0.03137%0.365CS..Hα-helixtrans-64.5-40.8178.4-172.161.2000112.2D60 R61 K62 L67 Y68 F121 M122 M125D60-L64 PolarHBondContact O-N 3.37Å; R61-L64 PolarHBondContact O-N 3.1Å; K62-L64 VanDerWaalsContact C-N 3.31Å; L64-L67 PolarHBondContact O-N 3.28Å; L64-Y68 PolarHBondContact O-N 3.4Å; L64-F121 HydrophobicContact CD1-CD1 4.47Å; L64-F121 HydrophobicContact CD1-CE1 3.79Å; L64-M122 HydrophobicContact CB-CE 4.3Å; L64-M122 HydrophobicContact CD2-CE 3.7Å; L64-M122 HydrophobicContact CD2-SD 3.92Å; L64-M122 HydrophobicContact CG-CE 3.82Å; L64-M122 HydrophobicContact CG-SD 3.69Å; L64-M125 HydrophobicContact CD1-CB 3.46Å; L64-M125 VanDerWaalsContact CD1-CB 3.46Å; L64-M125 HydrophobicContact CD1-CE 3.97Å; L64-M125 HydrophobicContact CD1-CG 3.74Å; L64-M125 HydrophobicContact CD2-CB 4.07Å; L64-M125 HydrophobicContact CG-CB 4.42Å
65E94.9Very high86.4Confident79 Ų7980.2 Ų80.237%0.36940%0.396SS..Hα-helixtrans-63.9-41.6173.3-75.4173.1-171.100112.4R61 K62 K63 L67 Y68 N69 M122R61-E65 IonicContact NE-OE1 3.54Å; R61-E65 WeakPolarHBondContact O-CG 3.23Å; R61-E65 PolarHBondContact O-N 2.83Å; K62-E65 PolarHBondContact O-N 3.05Å; K63-E65 PolarHBondContact O-N 3.44Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-Y68 PolarHBondContact O-N 3.35Å; E65-N69 WeakPolarHBondContact O-CB 3.33Å; E65-N69 PolarHBondContact O-N 3.26Å; E65-N69 PolarHBondContact O-ND2 3.34Å; E65-M122 HydrophobicContact CG-CE 3.92Å
66Q96.3Very high88.4Confident134 Ų13480.3 Ų80.363%0.62640%0.395SS*.Hα-helixtrans-63.3-40174.6-73.7172.2-500112K62 K63 N69 R70K62-Q66 VanDerWaalsContact O-CG 3.29Å; K62-Q66 WeakPolarHBondContact O-CG 3.24Å; K62-Q66 PolarHBondContact O-N 3.07Å; K63-Q66 PolarHBondContact O-N 3.46Å; Q66-N69 PolarHBondContact O-N 3.19Å; Q66-R70 PolarHBondContact O-N 3.02Å
67L97.2Very high90.6Very high24 Ų2479.9 Ų79.913%0.12640%0.395CS..Hα-helixtrans-66.2-44.1176.8-174.763000111.2K63 L64 E65 N69 R70 Y71 F121 M125 I133K63-L67 WeakPolarHBondContact O-CB 3.44Å; K63-L67 PolarHBondContact O-N 3.12Å; L64-L67 PolarHBondContact O-N 3.28Å; E65-L67 VanDerWaalsContact C-N 3.33Å; L67-N69 VanDerWaalsContact C-N 3.29Å; L67-N69 PolarHBondContact O-N 2.7Å; L67-R70 VanDerWaalsContact O-CB 3.26Å; L67-R70 WeakPolarHBondContact O-CB 3.47Å; L67-R70 PolarHBondContact O-N 3.27Å; L67-R70 VanDerWaalsContact O-N 3.1Å; L67-Y71 HydrophobicContact CD1-CE2 3.58Å; L67-Y71 HydrophobicContact CG-CE2 3.82Å; L67-Y71 VanDerWaalsContact O-CD2 3.24Å; L67-Y71 WeakPolarHBondContact O-CD2 3.46Å; L67-F121 HydrophobicContact CD2-CZ 4.09Å; L67-F121 HydrophobicContact CG-CZ 4.06Å; L67-M125 HydrophobicContact CD2-CE 3.74Å; L67-I133 HydrophobicContact CD1-CD1 4.31Å; L67-I133 HydrophobicContact CD1-CG1 3.97Å; L67-I133 HydrophobicContact CD2-CD1 4.32Å; L67-I133 HydrophobicContact CD2-CG1 4.42Å
68Y97.9Very high92.7Very high0 Ų083 Ų830%040%0.4CS..Hα-helixtrans-57.7-43.8172.7176.1-97.1000111.7L64 E65 R70 Y71 K72 E77 K79 I80 K118 F121L64-Y68 PolarHBondContact O-N 3.4Å; E65-Y68 PolarHBondContact O-N 3.35Å; Y68-R70 PolarHBondContact O-N 2.98Å; Y68-R70 VanDerWaalsContact O-N 3.14Å; Y68-Y71 PolarHBondContact O-N 3.04Å; Y68-K72 HydrophobicContact CD1-CB 4.24Å; Y68-K72 HydrophobicContact CE1-CB 3.67Å; Y68-K72 HydrophobicContact CE1-CD 4.36Å; Y68-K72 PolarHBondContact O-N 3.09Å; Y68-E77 WeakPolarHBondContact CE1-O 3.42Å; Y68-E77 PolarHBondContact OH-O 3.21Å; Y68-K79 WeakPolarHBondContact OH-CA 3.46Å; Y68-K79 PolarHBondContact OH-N 3.48Å; Y68-K79 PolarHBondContact OH-O 3.07Å; Y68-I80 HydrophobicContact CD2-CD1 3.94Å; Y68-I80 HydrophobicContact CD2-CG1 4.14Å; Y68-I80 HydrophobicContact CE2-CD1 3.92Å; Y68-I80 HydrophobicContact CE2-CG1 3.68Å; Y68-K118 HydrophobicContact CD1-CD 4.1Å; Y68-K118 HydrophobicContact CD1-CG 4.1Å; Y68-K118 HydrophobicContact CD2-CG 4.15Å; Y68-K118 HydrophobicContact CE1-CB 4.18Å; Y68-K118 HydrophobicContact CE1-CD 3.59Å; Y68-K118 HydrophobicContact CE1-CG 3.7Å; Y68-K118 VanDerWaalsContact CE2-CA 3.47Å; Y68-K118 HydrophobicContact CE2-CB 3.76Å; Y68-K118 HydrophobicContact CE2-CG 3.76Å; Y68-K118 HydrophobicContact CG-CG 4.3Å; Y68-K118 WeakPolarHBondContact OH-CB 3.2Å; Y68-F121 HydrophobicContact CD2-CB 4.07Å; Y68-F121 AromaticContact CD2-CD1 3.7Å; Y68-F121 HydrophobicContact CD2-CD1 3.7Å; Y68-F121 HydrophobicContact CD2-CE1 4.35Å; Y68-F121 AromaticContact CD2-CG 3.93Å; Y68-F121 HydrophobicContact CD2-CG 3.93Å; Y68-F121 HydrophobicContact CE2-CB 4.42Å; Y68-F121 HydrophobicContact CG-CD1 4.29Å
69N97.6Very high94.4Very high83 Ų8382.4 Ų82.444%0.44439%0.388SS..Hα-helixtrans-62.9-19.7178.7-70.6-25.9000113.8E65 Q66 L67 Y71E65-N69 WeakPolarHBondContact O-CB 3.33Å; E65-N69 PolarHBondContact O-N 3.26Å; E65-N69 PolarHBondContact O-ND2 3.34Å; Q66-N69 PolarHBondContact O-N 3.19Å; L67-N69 VanDerWaalsContact C-N 3.29Å; L67-N69 PolarHBondContact O-N 2.7Å; N69-Y71 VanDerWaalsContact C-N 3.35Å
70R97.6Very high95.3Very high138 Ų13881 Ų8152%0.52138%0.381SS..Hα-helixtrans-70.7-31.7173.2-179.9177.2169.771.40.6112.2Q66 L67 Y68 D91Q66-R70 PolarHBondContact O-N 3.02Å; L67-R70 VanDerWaalsContact O-CB 3.26Å; L67-R70 WeakPolarHBondContact O-CB 3.47Å; L67-R70 PolarHBondContact O-N 3.27Å; L67-R70 VanDerWaalsContact O-N 3.1Å; Y68-R70 PolarHBondContact O-N 2.98Å; Y68-R70 VanDerWaalsContact O-N 3.14Å; R70-D91 IonicContact CZ-OD1 2.84Å; R70-D91 IonicContact CZ-OD2 2.74Å; R70-D91 IonicContact NE-OD1 2.67Å; R70-D91 IonicContact NE-OD2 3.22Å; R70-D91 PolarHBondContact NE-OD2 2.89Å; R70-D91 IonicContact NH2-OD1 2.69Å; R70-D91 PolarHBondContact NH2-OD1 2.97Å; R70-D91 IonicContact NH2-OD2 3.88Å; R70-D91 PolarHBondContact NH2-OD2 3.38Å
71Y98.1Very high95.7Very high4 Ų478.6 Ų78.62%0.01637%0.371CS..Hα-helixtrans-108.6-16.8-173.1-51.8-57.9000113.9L67 Y68 N69 I80 G84 Q87 F88 D91 F121 I133L67-Y71 HydrophobicContact CD1-CE2 3.58Å; L67-Y71 HydrophobicContact CG-CE2 3.82Å; L67-Y71 VanDerWaalsContact O-CD2 3.24Å; L67-Y71 WeakPolarHBondContact O-CD2 3.46Å; Y68-Y71 PolarHBondContact O-N 3.04Å; N69-Y71 VanDerWaalsContact C-N 3.35Å; Y71-I80 WeakPolarHBondContact O-CG2 3.25Å; Y71-G84 VanDerWaalsContact O-CA 3.29Å; Y71-G84 WeakPolarHBondContact O-CA 3.37Å; Y71-Q87 HydrophobicContact CD1-CB 4.15Å; Y71-Q87 HydrophobicContact CD1-CG 4.07Å; Y71-Q87 HydrophobicContact CE1-CB 4.36Å; Y71-Q87 HydrophobicContact CE1-CG 3.94Å; Y71-F88 HydrophobicContact CD1-CB 4.04Å; Y71-F88 HydrophobicContact CD2-CD2 4.18Å; Y71-F88 HydrophobicContact CE1-CB 4.05Å; Y71-F88 AromaticContact CE2-CD2 3.79Å; Y71-F88 HydrophobicContact CE2-CD2 3.79Å; Y71-F88 HydrophobicContact CG-CB 4.33Å; Y71-D91 VanDerWaalsContact CE1-OD2 3.24Å; Y71-D91 WeakPolarHBondContact CE1-OD2 3.4Å; Y71-D91 VanDerWaalsContact CZ-OD2 3.31Å; Y71-D91 PolarHBondContact OH-OD2 2.96Å; Y71-F121 HydrophobicContact CD2-CE2 4.17Å; Y71-F121 HydrophobicContact CD2-CZ 4.24Å; Y71-F121 HydrophobicContact CE2-CZ 4.42Å; Y71-I133 HydrophobicContact CE2-CD1 4.25Å; Y71-I133 WeakPolarHBondContact OH-CD1 3.48Å; Y71-I133 WeakPolarHBondContact OH-CG1 3.26Å
72K97.9Very high96.1Very high54 Ų5475.2 Ų75.224%0.23537%0.365CS..SBendtrans-55147.1-177.172.5171.8-174.61590112Y68 E77 K79Y68-K72 HydrophobicContact CD1-CB 4.24Å; Y68-K72 HydrophobicContact CE1-CB 3.67Å; Y68-K72 HydrophobicContact CE1-CD 4.36Å; Y68-K72 PolarHBondContact O-N 3.09Å; K72-E77 HydrophobicContact CD-CB 4.4Å; K72-E77 HydrophobicContact CD-CG 4.46Å; K72-E77 IonicContact NZ-OE1 2.65Å; K72-E77 PolarHBondContact NZ-OE1 3.05Å; K72-K79 CarbonylContact C-O 3.52Å; K72-K79 WeakPolarHBondContact CA-O 3.33Å
73D96.6Very high96.5Very high40 Ų4074.8 Ų74.821%0.21437%0.37CS..  trans-63127.1173-171.3-33.2000109.4Q75 D76 K79D73-Q75 PolarHBondContact O-N 2.99Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.39Å; D73-Q75 PolarHBondContact OD1-N 3.31Å; D73-D76 HydrophobicContact CB-CB 4.36Å; D73-D76 WeakPolarHBondContact CB-O 3.47Å; D73-D76 CarbonylContact O-C 3.45Å; D73-D76 PolarHBondContact O-N 2.94Å; D73-K79 HydrophobicContact CB-CG 4.3Å; D73-K79 PolarHBondContact N-O 3.15Å
74P95.7Very high96.6Very high116 Ų11670 Ų7075%0.75335%0.352SS*.SBendtrans-59.6-23.3176-24.134.5000114
75Q95.4Very high96.8Very high177 Ų17770.9 Ų70.983%0.82736%0.357SS*.SBendtrans-97.8-18.3-179.5-55.5-58.5-37.800113.2D73D73-Q75 PolarHBondContact O-N 2.99Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.39Å; D73-Q75 PolarHBondContact OD1-N 3.31Å
76D94.9Very high97Very high55 Ų5571.1 Ų71.129%0.29436%0.357SS..  trans-143.2100.5178.2-174.6-1.6000111.8D73 N78 K79D73-D76 HydrophobicContact CB-CB 4.36Å; D73-D76 WeakPolarHBondContact CB-O 3.47Å; D73-D76 CarbonylContact O-C 3.45Å; D73-D76 PolarHBondContact O-N 2.94Å; D76-N78 PolarHBondContact O-N 3.32Å; D76-N78 WeakPolarHBondContact OD1-CB 3.5Å; D76-N78 PolarHBondContact OD1-N 3.25Å; D76-N78 PolarHBondContact OD1-ND2 3.04Å; D76-K79 HydrophobicContact CB-CD 4.43Å; D76-K79 HydrophobicContact CB-CG 4.02Å; D76-K79 PolarHBondContact O-N 2.81Å; D76-K79 VanDerWaalsContact O-O 3.14Å; D76-K79 WeakPolarHBondContact OD2-CD 3.45Å; D76-K79 WeakPolarHBondContact OD2-CE 3.49Å
77E94.9Very high97.1Very high116 Ų11668.1 Ų68.154%0.54234%0.344SS..THydrogen-bonded Turntrans-65.8-10.1-177.8-53.5-162.9140.200114.4Y68 K72 K79Y68-E77 WeakPolarHBondContact CE1-O 3.42Å; Y68-E77 PolarHBondContact OH-O 3.21Å; K72-E77 HydrophobicContact CD-CB 4.4Å; K72-E77 HydrophobicContact CD-CG 4.46Å; K72-E77 IonicContact NZ-OE1 2.65Å; K72-E77 PolarHBondContact NZ-OE1 3.05Å; E77-K79 VanDerWaalsContact C-N 3.34Å
78N96.4Very high97.1Very high114 Ų11467.2 Ų67.261%0.6134%0.339SS*.THydrogen-bonded Turntrans-89.1-1.9-179.1-56.8-64000113.4D76 S117 K118D76-N78 PolarHBondContact O-N 3.32Å; D76-N78 WeakPolarHBondContact OD1-CB 3.5Å; D76-N78 PolarHBondContact OD1-N 3.25Å; D76-N78 PolarHBondContact OD1-ND2 3.04Å; N78-S117 CarbonylContact O-C 3.4Å; N78-S117 WeakPolarHBondContact O-CA 3.4Å; N78-K118 PolarHBondContact O-N 3.4Å
79K97.3Very high97.1Very high55 Ų5567.2 Ų67.224%0.23934%0.339CS..EExtended strand (participates in β ladder)trans-145.8165.5176.666.3-174.3-172.2171.60113.9Y68 K72 D73 D76 E77 E115 F116Y68-K79 WeakPolarHBondContact OH-CA 3.46Å; Y68-K79 PolarHBondContact OH-N 3.48Å; Y68-K79 PolarHBondContact OH-O 3.07Å; K72-K79 CarbonylContact C-O 3.52Å; K72-K79 WeakPolarHBondContact CA-O 3.33Å; D73-K79 HydrophobicContact CB-CG 4.3Å; D73-K79 PolarHBondContact N-O 3.15Å; D76-K79 HydrophobicContact CB-CD 4.43Å; D76-K79 HydrophobicContact CB-CG 4.02Å; D76-K79 PolarHBondContact O-N 2.81Å; D76-K79 VanDerWaalsContact O-O 3.14Å; D76-K79 WeakPolarHBondContact OD2-CD 3.45Å; D76-K79 WeakPolarHBondContact OD2-CE 3.49Å; E77-K79 VanDerWaalsContact C-N 3.34Å; K79-E115 HydrophobicContact CD-CB 4.47Å; K79-E115 WeakPolarHBondContact CD-OE2 3.26Å; K79-E115 IonicContact NZ-OE2 2.83Å; K79-E115 PolarHBondContact NZ-OE2 3.29Å; K79-F116 CarbonylContact C-O 3.56Å; K79-F116 VanDerWaalsContact CA-O 3.23Å; K79-F116 WeakPolarHBondContact CA-O 3.47Å; K79-F116 WeakPolarHBondContact CB-O 3.44Å
80I98.3Very high97.1Very high1 Ų167.2 Ų67.21%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-103.7115.4165.9-63.4172000104.8Y68 Y71 G84 I85 E115 F116 F121Y68-I80 HydrophobicContact CD2-CD1 3.94Å; Y68-I80 HydrophobicContact CD2-CG1 4.14Å; Y68-I80 HydrophobicContact CE2-CD1 3.92Å; Y68-I80 HydrophobicContact CE2-CG1 3.68Å; Y71-I80 WeakPolarHBondContact O-CG2 3.25Å; I80-G84 VanDerWaalsContact CG2-C 3.48Å; I80-I85 HydrophobicContact CG2-CG1 3.94Å; I80-E115 CarbonylContact O-C 3.59Å; I80-E115 WeakPolarHBondContact O-CA 3.27Å; I80-E115 WeakPolarHBondContact O-CB 3.38Å; I80-F116 HydrophobicContact CB-CB 4.27Å; I80-F116 HydrophobicContact CD1-CB 4.48Å; I80-F116 PolarHBondContact N-O 2.97Å; I80-F116 PolarHBondContact O-N 3.22Å; I80-F121 HydrophobicContact CD1-CB 4.2Å; I80-F121 HydrophobicContact CD1-CD2 3.53Å; I80-F121 HydrophobicContact CD1-CE2 4.08Å; I80-F121 HydrophobicContact CD1-CG 3.93Å
81G97.4Very high97.1Very high11 Ų1163 Ų6311%0.11333%0.326CS..  trans-84.1-170.5175.100000112.6D83 G84 I85G81-D83 VanDerWaalsContact C-N 3.35Å; G81-D83 PolarHBondContact O-N 3.16Å; G81-G84 WeakPolarHBondContact O-CA 3.34Å; G81-G84 PolarHBondContact O-N 3.44Å; G81-I85 WeakPolarHBondContact O-CG1 3.47Å; G81-I85 PolarHBondContact O-N 3.49Å
82I96.3Very high97.1Very high111 Ų11162.9 Ų62.957%0.56933%0.326SS*.Hα-helixtrans-55-46.7-176.5-59.5172.6000112G84 I85 Q86 C114I82-G84 VanDerWaalsContact C-N 3.28Å; I82-G84 PolarHBondContact O-N 3.4Å; I82-I85 PolarHBondContact O-N 3.26Å; I82-Q86 PolarHBondContact O-N 3.42Å; I82-C114 HydrophobicContact CD1-CB 4.2Å; I82-C114 HydrophobicContact CG1-CB 3.88Å; I82-C114 PolarHBondContact N-O 2.97Å
83D97.3Very high97.1Very high142 Ų14263.9 Ų63.976%0.75934%0.344SS*.Hα-helixtrans-62.1-37.6179.2-63.5-22.7000112G81 Q86 Q87G81-D83 VanDerWaalsContact C-N 3.35Å; G81-D83 PolarHBondContact O-N 3.16Å; D83-Q86 PolarHBondContact O-N 2.71Å; D83-Q87 PolarHBondContact O-N 2.84Å
84G97.9Very high97.1Very high9 Ų963.7 Ų63.79%0.09334%0.343CS..Hα-helixtrans-69.3-39.7176.700000112.7Y71 I80 G81 I82 Q87 F88Y71-G84 VanDerWaalsContact O-CA 3.29Å; Y71-G84 WeakPolarHBondContact O-CA 3.37Å; I80-G84 VanDerWaalsContact CG2-C 3.48Å; G81-G84 WeakPolarHBondContact O-CA 3.34Å; G81-G84 PolarHBondContact O-N 3.44Å; I82-G84 VanDerWaalsContact C-N 3.28Å; I82-G84 PolarHBondContact O-N 3.4Å; G84-Q87 PolarHBondContact O-N 3.5Å; G84-F88 VanDerWaalsContact O-CB 3.29Å; G84-F88 WeakPolarHBondContact O-CB 3.29Å; G84-F88 PolarHBondContact O-N 2.85Å
85I97.6Very high97.1Very high26 Ų2663 Ų6313%0.13333%0.333CS..Hα-helixtrans-64.5-41.9173.6-65.8176.5000110.3I80 G81 I82 F88 C89 F116I80-I85 HydrophobicContact CG2-CG1 3.94Å; G81-I85 WeakPolarHBondContact O-CG1 3.47Å; G81-I85 PolarHBondContact O-N 3.49Å; I82-I85 PolarHBondContact O-N 3.26Å; I85-F88 WeakPolarHBondContact O-CB 3.43Å; I85-F88 PolarHBondContact O-N 2.71Å; I85-C89 PolarHBondContact O-N 3.31Å; I85-C89 PolarHBondContact O-SG 3.01Å; I85-F116 HydrophobicContact CG1-CD2 4.46Å
86Q97.8Very high97Very high83 Ų8357.1 Ų57.139%0.38831%0.31SS..Hα-helixtrans-58.5-51.8175.3-1786357.500110.6I82 D83 F88 C89 D90 P96I82-Q86 PolarHBondContact O-N 3.42Å; D83-Q86 PolarHBondContact O-N 2.71Å; Q86-F88 VanDerWaalsContact C-N 3.26Å; Q86-F88 PolarHBondContact O-N 2.65Å; Q86-C89 WeakPolarHBondContact O-CB 3.49Å; Q86-C89 PolarHBondContact O-N 3.46Å; Q86-C89 VanDerWaalsContact O-N 3.1Å; Q86-D90 PolarHBondContact NE2-OD1 3.02Å; Q86-D90 VanDerWaalsContact O-CG 3.22Å; Q86-D90 PolarHBondContact O-N 3.44Å; Q86-P96 VanDerWaalsContact OE1-CG 3.29Å
87Q98.1Very high96.9Very high72 Ų7257.7 Ų57.734%0.33632%0.323SS..Hα-helixtrans-61.7-35.2178.7-174.661.380.100112.5Y71 D83 G84 D90 D91Y71-Q87 HydrophobicContact CD1-CB 4.15Å; Y71-Q87 HydrophobicContact CD1-CG 4.07Å; Y71-Q87 HydrophobicContact CE1-CB 4.36Å; Y71-Q87 HydrophobicContact CE1-CG 3.94Å; D83-Q87 PolarHBondContact O-N 2.84Å; G84-Q87 PolarHBondContact O-N 3.5Å; Q87-D90 PolarHBondContact O-N 3.28Å; Q87-D91 PolarHBondContact NE2-OD1 3.4Å; Q87-D91 WeakPolarHBondContact O-CB 3.21Å; Q87-D91 VanDerWaalsContact O-CG 3.25Å; Q87-D91 PolarHBondContact O-N 3.47Å
88F98.1Very high96.9Very high4 Ų453.5 Ų53.52%0.01831%0.306CS..Hα-helixtrans-65.8-41.4174.3175-103.2000112.2Y71 G84 I85 Q86 L92 I104 F116 F121 I133 L136Y71-F88 HydrophobicContact CD1-CB 4.04Å; Y71-F88 HydrophobicContact CD2-CD2 4.18Å; Y71-F88 HydrophobicContact CE1-CB 4.05Å; Y71-F88 AromaticContact CE2-CD2 3.79Å; Y71-F88 HydrophobicContact CE2-CD2 3.79Å; Y71-F88 HydrophobicContact CG-CB 4.33Å; G84-F88 VanDerWaalsContact O-CB 3.29Å; G84-F88 WeakPolarHBondContact O-CB 3.29Å; G84-F88 PolarHBondContact O-N 2.85Å; I85-F88 WeakPolarHBondContact O-CB 3.43Å; I85-F88 PolarHBondContact O-N 2.71Å; Q86-F88 VanDerWaalsContact C-N 3.26Å; Q86-F88 PolarHBondContact O-N 2.65Å; F88-L92 HydrophobicContact CD1-CD1 3.96Å; F88-L92 HydrophobicContact CD2-CD1 4.47Å; F88-L92 HydrophobicContact CE1-CD1 3.52Å; F88-L92 HydrophobicContact CE2-CD1 4.08Å; F88-L92 HydrophobicContact CG-CD1 4.44Å; F88-L92 HydrophobicContact CZ-CD1 3.62Å; F88-L92 WeakPolarHBondContact O-CG 3.39Å; F88-L92 PolarHBondContact O-N 2.69Å; F88-L92 VanDerWaalsContact O-N 3.12Å; F88-I104 HydrophobicContact CE1-CG2 4.11Å; F88-I104 HydrophobicContact CZ-CG2 4.22Å; F88-F116 HydrophobicContact CE1-CE2 4.4Å; F88-F121 HydrophobicContact CD2-CE2 4.36Å; F88-F121 HydrophobicContact CE2-CE2 4.03Å; F88-I133 HydrophobicContact CD2-CD1 3.95Å; F88-I133 HydrophobicContact CE2-CD1 3.85Å; F88-L136 HydrophobicContact CE2-CD2 3.73Å; F88-L136 HydrophobicContact CZ-CD2 3.43Å; F88-L136 VanDerWaalsContact CZ-CD2 3.43Å
89C97.9Very high97Very high0 Ų050.8 Ų50.80%029%0.291CS..Hα-helixtrans-65.4-42.2174.2-64.60000111.4I85 Q86 D91 L92 A93 L94 P96I85-C89 PolarHBondContact O-N 3.31Å; I85-C89 PolarHBondContact O-SG 3.01Å; Q86-C89 WeakPolarHBondContact O-CB 3.49Å; Q86-C89 PolarHBondContact O-N 3.46Å; Q86-C89 VanDerWaalsContact O-N 3.1Å; C89-D91 PolarHBondContact O-N 3.06Å; C89-L92 CarbonylContact O-C 3.59Å; C89-L92 PolarHBondContact O-N 2.69Å; C89-A93 PolarHBondContact O-N 3.2Å; C89-L94 PolarHBondContact O-N 2.85Å; C89-P96 HydrophobicContact CB-CG 4Å
90D98.1Very high97Very high84 Ų8449 Ų4945%0.44929%0.285SS..Hα-helixtrans-60.2-46.2176.8-65.5-16000111.4Q86 Q87 L92 A93Q86-D90 PolarHBondContact NE2-OD1 3.02Å; Q86-D90 VanDerWaalsContact O-CG 3.22Å; Q86-D90 PolarHBondContact O-N 3.44Å; Q87-D90 PolarHBondContact O-N 3.28Å; D90-L92 VanDerWaalsContact C-N 3.28Å; D90-L92 PolarHBondContact O-N 3.19Å; D90-A93 WeakPolarHBondContact O-CA 3.28Å; D90-A93 PolarHBondContact O-N 2.87Å
91D97.8Very high97Very high49 Ų4949.8 Ų49.826%0.26229%0.29SS..Hα-helixtrans-64.6-32.8178.3-72.3-11.3000111.8R70 Y71 Q87 C89 A93 I133R70-D91 IonicContact CZ-OD1 2.84Å; R70-D91 IonicContact CZ-OD2 2.74Å; R70-D91 IonicContact NE-OD1 2.67Å; R70-D91 IonicContact NE-OD2 3.22Å; R70-D91 PolarHBondContact NE-OD2 2.89Å; R70-D91 IonicContact NH2-OD1 2.69Å; R70-D91 PolarHBondContact NH2-OD1 2.97Å; R70-D91 IonicContact NH2-OD2 3.88Å; R70-D91 PolarHBondContact NH2-OD2 3.38Å; Y71-D91 VanDerWaalsContact CE1-OD2 3.24Å; Y71-D91 WeakPolarHBondContact CE1-OD2 3.4Å; Y71-D91 VanDerWaalsContact CZ-OD2 3.31Å; Y71-D91 PolarHBondContact OH-OD2 2.96Å; Q87-D91 PolarHBondContact NE2-OD1 3.4Å; Q87-D91 WeakPolarHBondContact O-CB 3.21Å; Q87-D91 VanDerWaalsContact O-CG 3.25Å; Q87-D91 PolarHBondContact O-N 3.47Å; C89-D91 PolarHBondContact O-N 3.06Å; D91-A93 VanDerWaalsContact C-N 3.28Å; D91-I133 HydrophobicContact CB-CG1 4.36Å; D91-I133 HydrophobicContact CB-CG2 4.26Å; D91-I133 WeakPolarHBondContact O-CG2 3.3Å
92L97.3Very high97Very high1 Ų149.6 Ų49.61%0.00529%0.286CS..Hα-helixtrans-76.9-14.6172.2-72.9168.2000113.1F88 C89 D90 L94 I104 I133 L136 K137 I140F88-L92 HydrophobicContact CD1-CD1 3.96Å; F88-L92 HydrophobicContact CD2-CD1 4.47Å; F88-L92 HydrophobicContact CE1-CD1 3.52Å; F88-L92 HydrophobicContact CE2-CD1 4.08Å; F88-L92 HydrophobicContact CG-CD1 4.44Å; F88-L92 HydrophobicContact CZ-CD1 3.62Å; F88-L92 WeakPolarHBondContact O-CG 3.39Å; F88-L92 PolarHBondContact O-N 2.69Å; F88-L92 VanDerWaalsContact O-N 3.12Å; C89-L92 CarbonylContact O-C 3.59Å; C89-L92 PolarHBondContact O-N 2.69Å; D90-L92 VanDerWaalsContact C-N 3.28Å; D90-L92 PolarHBondContact O-N 3.19Å; L92-L94 HydrophobicContact CB-CB 4.49Å; L92-L94 HydrophobicContact CB-CD1 3.87Å; L92-L94 HydrophobicContact CB-CG 3.89Å; L92-L94 HydrophobicContact CD1-CD1 4.07Å; L92-I104 HydrophobicContact CD1-CD1 3.81Å; L92-I133 HydrophobicContact CD2-CG2 3.8Å; L92-I133 HydrophobicContact CG-CG2 4.23Å; L92-L136 HydrophobicContact CD1-CD2 4.13Å; L92-L136 HydrophobicContact CD2-CB 4.43Å; L92-L136 HydrophobicContact CD2-CD2 4.13Å; L92-L136 HydrophobicContact CD2-CG 4.22Å; L92-K137 HydrophobicContact CD2-CB 4.11Å; L92-K137 WeakPolarHBondContact O-CE 3.41Å; L92-K137 PolarHBondContact O-NZ 3.13Å; L92-I140 HydrophobicContact CD2-CD1 4.37Å
93A97.4Very high97.1Very high75 Ų7544.6 Ų44.662%0.6226%0.26SS*.THydrogen-bonded Turntrans57.449-16800000112.4C89 D90 D91C89-A93 PolarHBondContact O-N 3.2Å; D90-A93 WeakPolarHBondContact O-CA 3.28Å; D90-A93 PolarHBondContact O-N 2.87Å; D91-A93 VanDerWaalsContact C-N 3.28Å
94L96.9Very high97.2Very high36 Ų3637.9 Ų37.919%0.18822%0.224CC..  trans-115.9148176.3-64.2175.2000110.5C89 L92 T100 V101 I104 I140C89-L94 PolarHBondContact O-N 2.85Å; L92-L94 HydrophobicContact CB-CB 4.49Å; L92-L94 HydrophobicContact CB-CD1 3.87Å; L92-L94 HydrophobicContact CB-CG 3.89Å; L92-L94 HydrophobicContact CD1-CD1 4.07Å; L94-T100 HydrophobicContact CD1-CG2 3.81Å; L94-T100 HydrophobicContact CD2-CG2 3.92Å; L94-V101 HydrophobicContact CB-CG2 3.98Å; L94-V101 HydrophobicContact CD1-CG2 4.06Å; L94-I104 HydrophobicContact CD1-CD1 3.83Å; L94-I140 HydrophobicContact CD1-CD1 3.98Å
95D95.6Very high97.2Very high103 Ų10337.5 Ų37.555%0.55122%0.22SC*.  trans-71.3126164.7-178-14.3000108.9A97 S98 V101D95-A97 PolarHBondContact O-N 2.87Å; D95-A97 VanDerWaalsContact O-N 3.13Å; D95-A97 WeakPolarHBondContact OD1-CB 3.36Å; D95-A97 PolarHBondContact OD1-N 3.27Å; D95-S98 WeakPolarHBondContact O-CB 3.41Å; D95-S98 PolarHBondContact O-N 3.2Å; D95-S98 PolarHBondContact O-OG 2.91Å; D95-V101 WeakPolarHBondContact O-CG2 3.34Å
96P93.4Very high97.3Very high52 Ų5236.8 Ų36.834%0.33822%0.216SC..THydrogen-bonded Turntrans-53-27.9174.7-25.132.3000114.4Q86 C89 S98Q86-P96 VanDerWaalsContact OE1-CG 3.29Å; C89-P96 HydrophobicContact CB-CG 4Å; P96-S98 VanDerWaalsContact C-N 3.32Å
97A92.5Very high97.3Very high68 Ų6834.8 Ų34.856%0.56221%0.206SC*.THydrogen-bonded Turntrans-85.8-117800000113.6D95 L183D95-A97 PolarHBondContact O-N 2.87Å; D95-A97 VanDerWaalsContact O-N 3.13Å; D95-A97 WeakPolarHBondContact OD1-CB 3.36Å; D95-A97 PolarHBondContact OD1-N 3.27Å; A97-L183 WeakPolarHBondContact O-CD1 3.5Å
98S96.5Very high97.3Very high28 Ų2831.5 Ų31.520%0.19619%0.191CC..SBendtrans-73.8151.3-177.468.30000113.1D95 P96 T100 V101 L102D95-S98 WeakPolarHBondContact O-CB 3.41Å; D95-S98 PolarHBondContact O-N 3.2Å; D95-S98 PolarHBondContact O-OG 2.91Å; P96-S98 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 2.95Å; S98-V101 PolarHBondContact O-N 3.03Å; S98-V101 VanDerWaalsContact O-N 3.16Å; S98-V101 PolarHBondContact OG-N 3.18Å; S98-L102 PolarHBondContact O-N 3.41Å
99I97.3Very high97.3Very high57 Ų5737.2 Ų37.229%0.29221%0.212SC..Hα-helixtrans-59.7-30.7173.4-166.9173.5000111.3V101 L102 I103 F156 L183I99-V101 VanDerWaalsContact C-N 3.32Å; I99-V101 PolarHBondContact O-N 3.26Å; I99-L102 WeakPolarHBondContact O-CB 3.35Å; I99-L102 PolarHBondContact O-N 2.97Å; I99-L102 VanDerWaalsContact O-N 3.15Å; I99-I103 HydrophobicContact CG1-CD1 4.28Å; I99-I103 HydrophobicContact CG1-CG1 4.44Å; I99-I103 VanDerWaalsContact O-CG1 3.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.45Å; I99-I103 PolarHBondContact O-N 3.33Å; I99-F156 HydrophobicContact CD1-CE1 4.47Å; I99-F156 HydrophobicContact CG1-CZ 4.21Å; I99-L183 HydrophobicContact CB-CD1 4.01Å; I99-L183 HydrophobicContact CB-CG 4.21Å; I99-L183 HydrophobicContact CG1-CG 4.5Å
100T97.6Very high97.3Very high17 Ų1737.3 Ų37.310%0.10421%0.213CC..Hα-helixtrans-61.6-38.3178.3-53.20000112.1L94 S98 I103 I104 I140 E144L94-T100 HydrophobicContact CD1-CG2 3.81Å; L94-T100 HydrophobicContact CD2-CG2 3.92Å; S98-T100 PolarHBondContact O-N 2.95Å; T100-I103 WeakPolarHBondContact O-CB 3.47Å; T100-I103 PolarHBondContact O-N 3.25Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 3.4Å; T100-I140 HydrophobicContact CG2-CD1 4.22Å; T100-I140 HydrophobicContact CG2-CG1 4.38Å; T100-I140 HydrophobicContact CG2-CG2 3.47Å; T100-I140 VanDerWaalsContact CG2-CG2 3.47Å; T100-E144 PolarHBondContact OG1-OE1 2.92Å
101V97.9Very high97.2Very high18 Ų1836.5 Ų36.511%0.10922%0.218CC..Hα-helixtrans-66.3-41175173.60000110.9L94 D95 S98 I99 I103 I104 A105L94-V101 HydrophobicContact CB-CG2 3.98Å; L94-V101 HydrophobicContact CD1-CG2 4.06Å; D95-V101 WeakPolarHBondContact O-CG2 3.34Å; S98-V101 PolarHBondContact O-N 3.03Å; S98-V101 VanDerWaalsContact O-N 3.16Å; S98-V101 PolarHBondContact OG-N 3.18Å; I99-V101 VanDerWaalsContact C-N 3.32Å; I99-V101 PolarHBondContact O-N 3.26Å; V101-I103 VanDerWaalsContact C-N 3.32Å; V101-I103 PolarHBondContact O-N 3.32Å; V101-I104 PolarHBondContact O-N 3.11Å; V101-A105 PolarHBondContact O-N 2.98Å
102L98.4Very high97.1Very high6 Ų635.1 Ų35.13%0.03121%0.211CC..Hα-helixtrans-64-36.5174.4-177.958.9000112.4S98 I99 I104 A105 W106 F156 F159 T160 F163 Y180 L183 V184S98-L102 PolarHBondContact O-N 3.41Å; I99-L102 WeakPolarHBondContact O-CB 3.35Å; I99-L102 PolarHBondContact O-N 2.97Å; I99-L102 VanDerWaalsContact O-N 3.15Å; L102-I104 VanDerWaalsContact C-N 3.35Å; L102-A105 PolarHBondContact O-N 3.1Å; L102-W106 PolarHBondContact O-N 3.39Å; L102-F156 HydrophobicContact CB-CZ 4.41Å; L102-F156 HydrophobicContact CD2-CE2 4.28Å; L102-F156 HydrophobicContact CD2-CZ 3.77Å; L102-F156 HydrophobicContact CG-CE2 3.82Å; L102-F156 HydrophobicContact CG-CZ 3.78Å; L102-F159 HydrophobicContact CD1-CE1 4.27Å; L102-T160 HydrophobicContact CD1-CG2 4.5Å; L102-T160 HydrophobicContact CD2-CG2 3.89Å; L102-F163 HydrophobicContact CD1-CD1 3.58Å; L102-F163 HydrophobicContact CD1-CE1 3.68Å; L102-F163 HydrophobicContact CD1-CG 4.47Å; L102-Y180 HydrophobicContact CD1-CE1 3.96Å; L102-Y180 HydrophobicContact CD2-CD1 3.85Å; L102-Y180 HydrophobicContact CD2-CE1 3.92Å; L102-L183 HydrophobicContact CB-CD2 4.43Å; L102-L183 HydrophobicContact CD2-CD2 3.92Å; L102-V184 HydrophobicContact CD2-CG1 3.59Å
103I98.4Very high97Very high6 Ų636.5 Ų36.53%0.03122%0.218CC..Hα-helixtrans-62.3-43.6173.6-68.7167.6000110.4I99 T100 V101 W106 K107 M143 E144 L147 F156I99-I103 HydrophobicContact CG1-CD1 4.28Å; I99-I103 HydrophobicContact CG1-CG1 4.44Å; I99-I103 VanDerWaalsContact O-CG1 3.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.45Å; I99-I103 PolarHBondContact O-N 3.33Å; T100-I103 WeakPolarHBondContact O-CB 3.47Å; T100-I103 PolarHBondContact O-N 3.25Å; V101-I103 VanDerWaalsContact C-N 3.32Å; V101-I103 PolarHBondContact O-N 3.32Å; I103-W106 HydrophobicContact CG2-CE3 4.3Å; I103-W106 WeakPolarHBondContact O-CB 3.48Å; I103-W106 PolarHBondContact O-N 3.5Å; I103-K107 WeakPolarHBondContact O-CG 3.44Å; I103-K107 PolarHBondContact O-N 2.9Å; I103-M143 HydrophobicContact CG2-CB 3.71Å; I103-E144 HydrophobicContact CD1-CG 3.94Å; I103-L147 HydrophobicContact CD1-CD1 3.63Å; I103-L147 HydrophobicContact CG1-CD1 3.64Å; I103-F156 HydrophobicContact CB-CE2 4.48Å; I103-F156 HydrophobicContact CG1-CE2 3.82Å; I103-F156 HydrophobicContact CG1-CZ 3.98Å
104I98.3Very high96.8Very high1 Ų136.3 Ų36.31%0.00521%0.211CC..Hα-helixtrans-61.4-46.4175.9-66.7165.7000110.3F88 L92 L94 T100 V101 L102 W106 K107 F108 I140 M143F88-I104 HydrophobicContact CE1-CG2 4.11Å; F88-I104 HydrophobicContact CZ-CG2 4.22Å; L92-I104 HydrophobicContact CD1-CD1 3.81Å; L94-I104 HydrophobicContact CD1-CD1 3.83Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 3.4Å; V101-I104 PolarHBondContact O-N 3.11Å; L102-I104 VanDerWaalsContact C-N 3.35Å; I104-W106 VanDerWaalsContact C-N 3.28Å; I104-W106 PolarHBondContact O-N 2.94Å; I104-K107 PolarHBondContact O-N 3.36Å; I104-K107 VanDerWaalsContact O-N 3.1Å; I104-F108 HydrophobicContact CG2-CD1 3.89Å; I104-F108 HydrophobicContact CG2-CE1 3.71Å; I104-F108 HydrophobicContact CG2-CG 4.49Å; I104-F108 HydrophobicContact CG2-CZ 4.18Å; I104-F108 WeakPolarHBondContact O-CB 3.32Å; I104-F108 WeakPolarHBondContact O-CD1 3.37Å; I104-F108 PolarHBondContact O-N 2.91Å; I104-I140 HydrophobicContact CD1-CD1 4.29Å; I104-I140 HydrophobicContact CD1-CG1 4.37Å; I104-M143 HydrophobicContact CG1-CE 4.11Å
105A98.5Very high96.8Very high1 Ų137.9 Ų37.91%0.00822%0.217CC..Hα-helixtrans-56.8-41.3176.200000112.3V101 L102 F108 R109 A110 F116 F159 F163V101-A105 PolarHBondContact O-N 2.98Å; L102-A105 PolarHBondContact O-N 3.1Å; A105-F108 CarbonylContact O-C 3.53Å; A105-F108 PolarHBondContact O-N 3.31Å; A105-R109 PolarHBondContact O-N 3.34Å; A105-A110 HydrophobicContact CB-CB 4.16Å; A105-A110 PolarHBondContact O-N 3.37Å; A105-F116 HydrophobicContact CB-CE1 3.91Å; A105-F116 HydrophobicContact CB-CZ 3.99Å; A105-F159 HydrophobicContact CB-CE1 4.45Å; A105-F159 HydrophobicContact CB-CZ 4.4Å; A105-F159 WeakPolarHBondContact O-CZ 3.26Å; A105-F163 HydrophobicContact CB-CD2 4.47Å; A105-F163 HydrophobicContact CB-CE1 4.4Å; A105-F163 HydrophobicContact CB-CE2 3.84Å; A105-F163 HydrophobicContact CB-CZ 3.79Å
106W98.6Very high96.8Very high11 Ų1133.4 Ų33.44%0.04219%0.193CC..Hα-helixtrans-62.2-45.1174166.863.3000112.7L102 I103 I104 F108 R109 E146 L147 R152 D155 F156 F159L102-W106 PolarHBondContact O-N 3.39Å; I103-W106 HydrophobicContact CG2-CE3 4.3Å; I103-W106 WeakPolarHBondContact O-CB 3.48Å; I103-W106 PolarHBondContact O-N 3.5Å; I104-W106 VanDerWaalsContact C-N 3.28Å; I104-W106 PolarHBondContact O-N 2.94Å; W106-F108 PolarHBondContact O-N 3.1Å; W106-R109 PolarHBondContact O-N 3.5Å; W106-E146 HydrophobicContact CH2-CG 4.21Å; W106-L147 HydrophobicContact CE3-CD2 4.27Å; W106-L147 HydrophobicContact CH2-CD2 3.62Å; W106-L147 HydrophobicContact CZ2-CD2 4.3Å; W106-L147 HydrophobicContact CZ3-CD2 3.6Å; W106-L147 HydrophobicContact CZ3-CG 4.3Å; W106-R152 HydrophobicContact CH2-CB 4.48Å; W106-R152 VanDerWaalsContact CZ2-CZ 3.4Å; W106-D155 WeakPolarHBondContact CZ2-OD2 3.4Å; W106-D155 PolarHBondContact NE1-OD2 2.96Å; W106-F156 HydrophobicContact CB-CD2 3.71Å; W106-F156 HydrophobicContact CB-CE2 4.12Å; W106-F156 HydrophobicContact CD2-CB 4.13Å; W106-F156 AromaticContact CD2-CD2 3.85Å; W106-F156 HydrophobicContact CD2-CD2 3.85Å; W106-F156 HydrophobicContact CD2-CG 4.48Å; W106-F156 HydrophobicContact CE3-CD2 4.06Å; W106-F156 HydrophobicContact CG-CB 4.42Å; W106-F156 AromaticContact CG-CD2 3.72Å; W106-F156 HydrophobicContact CG-CD2 3.72Å; W106-F156 HydrophobicContact CZ2-CB 4.25Å; W106-F159 VanDerWaalsContact CA-CE1 3.4Å; W106-F159 HydrophobicContact CB-CD1 3.59Å; W106-F159 HydrophobicContact CB-CE1 3.66Å; W106-F159 HydrophobicContact CB-CG 4.15Å; W106-F159 HydrophobicContact CB-CZ 4.26Å; W106-F159 AromaticContact CD1-CD1 3.93Å; W106-F159 AromaticContact CD1-CG 3.63Å; W106-F159 HydrophobicContact CG-CD1 4.13Å; W106-F159 HydrophobicContact CG-CG 4.28Å
107K97.9Very high97.1Very high42 Ų4232.6 Ų32.618%0.18319%0.189CC..Hα-helixtrans-66.3-29.2177.7-64.2-60.3-59-168.70112.6I103 I104 R109 L128 M143 E146I103-K107 WeakPolarHBondContact O-CG 3.44Å; I103-K107 PolarHBondContact O-N 2.9Å; I104-K107 PolarHBondContact O-N 3.36Å; I104-K107 VanDerWaalsContact O-N 3.1Å; K107-R109 VanDerWaalsContact C-N 3.26Å; K107-L128 HydrophobicContact CB-CD1 4.43Å; K107-M143 HydrophobicContact CB-SD 4.06Å; K107-M143 HydrophobicContact CD-CG 4.49Å; K107-M143 HydrophobicContact CG-CB 4.38Å; K107-M143 HydrophobicContact CG-CG 4.05Å; K107-M143 HydrophobicContact CG-SD 3.61Å; K107-E146 IonicContact NZ-OE1 2.69Å; K107-E146 PolarHBondContact NZ-OE1 3.4Å; K107-E146 IonicContact NZ-OE2 3.38Å; K107-E146 PolarHBondContact NZ-OE2 2.76Å
108F98.1Very high97.3Very high2 Ų233.2 Ų33.21%0.00918%0.179CC..THydrogen-bonded Turntrans-82.4-7.4174.8-78.544.3000112.2I104 A105 W106 A110 F121 M125 L128 L136I104-F108 HydrophobicContact CG2-CD1 3.89Å; I104-F108 HydrophobicContact CG2-CE1 3.71Å; I104-F108 HydrophobicContact CG2-CG 4.49Å; I104-F108 HydrophobicContact CG2-CZ 4.18Å; I104-F108 WeakPolarHBondContact O-CB 3.32Å; I104-F108 WeakPolarHBondContact O-CD1 3.37Å; I104-F108 PolarHBondContact O-N 2.91Å; A105-F108 CarbonylContact O-C 3.53Å; A105-F108 PolarHBondContact O-N 3.31Å; W106-F108 PolarHBondContact O-N 3.1Å; F108-A110 PolarHBondContact O-N 3Å; F108-F121 AromaticContact CE2-CD2 3.92Å; F108-F121 HydrophobicContact CE2-CD2 3.92Å; F108-F121 HydrophobicContact CE2-CE2 4.45Å; F108-F121 HydrophobicContact CE2-CG 4.44Å; F108-M125 HydrophobicContact CE2-CG 4.06Å; F108-M125 HydrophobicContact CZ-CG 3.78Å; F108-M125 HydrophobicContact CZ-SD 3.76Å; F108-L128 HydrophobicContact CD1-CD1 4.19Å; F108-L128 HydrophobicContact CE1-CD1 3.59Å; F108-L136 HydrophobicContact CE1-CD1 4.28Å; F108-L136 HydrophobicContact CZ-CD2 4.34Å
109R98.1Very high97.3Very high124 Ų12437.4 Ų37.447%0.46820%0.198SC..THydrogen-bonded Turntrans52.540.9-173.1-58.4-178.4-68.4-90.41112.3A105 W106 K107 A111 E127A105-R109 PolarHBondContact O-N 3.34Å; W106-R109 PolarHBondContact O-N 3.5Å; K107-R109 VanDerWaalsContact C-N 3.26Å; R109-A111 PolarHBondContact O-N 3.32Å; R109-E127 IonicContact CZ-OE1 3.41Å; R109-E127 IonicContact CZ-OE2 3.2Å; R109-E127 VanDerWaalsContact NH1-CD 3.3Å; R109-E127 IonicContact NH1-OE1 3.97Å; R109-E127 PolarHBondContact NH1-OE1 3.27Å; R109-E127 IonicContact NH1-OE2 2.76Å; R109-E127 PolarHBondContact NH1-OE2 3.48Å; R109-E127 IonicContact NH2-OE1 2.92Å; R109-E127 PolarHBondContact NH2-OE1 2.91Å; R109-E127 IonicContact NH2-OE2 3.18Å
110A98.1Very high97.4Very high2 Ų236.2 Ų36.22%0.01719%0.192CC..  trans-59.1131.1179.800000111.2A105 F108 F116 E120 F159 F163A105-A110 HydrophobicContact CB-CB 4.16Å; A105-A110 PolarHBondContact O-N 3.37Å; F108-A110 PolarHBondContact O-N 3Å; A110-F116 HydrophobicContact CB-CD1 3.58Å; A110-F116 HydrophobicContact CB-CE1 3.44Å; A110-F116 VanDerWaalsContact CB-CE1 3.44Å; A110-E120 WeakPolarHBondContact CA-OE1 3.24Å; A110-F159 HydrophobicContact CB-CZ 4.5Å; A110-F159 WeakPolarHBondContact O-CE2 3.21Å; A110-F159 WeakPolarHBondContact O-CZ 3.45Å; A110-F163 HydrophobicContact CB-CD2 4Å; A110-F163 HydrophobicContact CB-CE2 3.73Å
111A97Very high97.4Very high67 Ų6735.4 Ų35.455%0.55419%0.187SC*.SBendtrans-74.8-35.9-173.400000113.2R109 E120R109-A111 PolarHBondContact O-N 3.32Å; A111-E120 WeakPolarHBondContact CB-OE1 3.47Å; A111-E120 PolarHBondContact N-OE1 3.41Å
112T96Very high97.3Very high20 Ų2035.8 Ų35.812%0.12319%0.187CC..SBendtrans-146.3151.9-176.4-174.80000110.4E115 F163T112-E115 HydrophobicContact CG2-CG 3.58Å; T112-E115 VanDerWaalsContact O-O 3.13Å; T112-F163 VanDerWaalsContact C-CE2 3.42Å; T112-F163 CarbonylContact C-O 3.45Å; T112-F163 WeakPolarHBondContact CA-O 3.29Å; T112-F163 VanDerWaalsContact O-CE2 3.23Å; T112-F163 WeakPolarHBondContact O-CE2 3.28Å
113Q95.1Very high97.1Very high31 Ų3138.5 Ų38.515%0.14520%0.202CC..THydrogen-bonded Turntrans-65.8165169.964179.4-32.600112.5E115 F163 A164 Y180Q113-E115 PolarHBondContact O-N 3.35Å; Q113-F163 VanDerWaalsContact CA-CZ 3.47Å; Q113-F163 HydrophobicContact CB-CD1 4.17Å; Q113-F163 HydrophobicContact CB-CE1 3.67Å; Q113-F163 HydrophobicContact CB-CE2 4.24Å; Q113-F163 HydrophobicContact CB-CZ 3.73Å; Q113-F163 PolarHBondContact N-O 3.21Å; Q113-A164 PolarHBondContact NE2-O 3.22Å; Q113-Y180 PolarHBondContact OE1-OH 3.42Å
114C93.3Very high97Very high70 Ų7038.2 Ų38.247%0.47320%0.201SC..THydrogen-bonded Turntrans69.3-3.4179.2-55.40000116.3I82I82-C114 HydrophobicContact CD1-CB 4.2Å; I82-C114 HydrophobicContact CG1-CB 3.88Å; I82-C114 PolarHBondContact N-O 2.97Å
115E95.3Very high96.9Very high70 Ų7038.2 Ų38.233%0.32720%0.2SC..  trans-148.1154.1170.556.4-179.5-146.900112.2K79 I80 T112 Q113K79-E115 HydrophobicContact CD-CB 4.47Å; K79-E115 WeakPolarHBondContact CD-OE2 3.26Å; K79-E115 IonicContact NZ-OE2 2.83Å; K79-E115 PolarHBondContact NZ-OE2 3.29Å; I80-E115 CarbonylContact O-C 3.59Å; I80-E115 WeakPolarHBondContact O-CA 3.27Å; I80-E115 WeakPolarHBondContact O-CB 3.38Å; T112-E115 HydrophobicContact CG2-CG 3.58Å; T112-E115 VanDerWaalsContact O-O 3.13Å; Q113-E115 PolarHBondContact O-N 3.35Å
116F97.3Very high96.5Very high8 Ų840.1 Ų40.14%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-121.5127.8159.7-67.6-31.3000108.9K79 I80 I85 F88 A105 A110K79-F116 CarbonylContact C-O 3.56Å; K79-F116 VanDerWaalsContact CA-O 3.23Å; K79-F116 WeakPolarHBondContact CA-O 3.47Å; K79-F116 WeakPolarHBondContact CB-O 3.44Å; I80-F116 HydrophobicContact CB-CB 4.27Å; I80-F116 HydrophobicContact CD1-CB 4.48Å; I80-F116 PolarHBondContact N-O 2.97Å; I80-F116 PolarHBondContact O-N 3.22Å; I85-F116 HydrophobicContact CG1-CD2 4.46Å; F88-F116 HydrophobicContact CE1-CE2 4.4Å; A105-F116 HydrophobicContact CB-CE1 3.91Å; A105-F116 HydrophobicContact CB-CZ 3.99Å; A110-F116 HydrophobicContact CB-CD1 3.58Å; A110-F116 HydrophobicContact CB-CE1 3.44Å; A110-F116 VanDerWaalsContact CB-CE1 3.44Å
117S98.1Very high96.1Very high36 Ų3643.5 Ų43.525%0.25223%0.228SC..EExtended strand (participates in β ladder)trans-66.6156.7169.269.70000110.9N78 L119 E120 F121N78-S117 CarbonylContact O-C 3.4Å; N78-S117 WeakPolarHBondContact O-CA 3.4Å; S117-L119 PolarHBondContact O-N 3.48Å; S117-E120 WeakPolarHBondContact CB-OE2 3.08Å; S117-E120 PolarHBondContact N-OE2 3.28Å; S117-E120 PolarHBondContact O-N 3.06Å; S117-E120 WeakPolarHBondContact OG-CB 3.49Å; S117-E120 WeakPolarHBondContact OG-CG 3.5Å; S117-E120 PolarHBondContact OG-N 3.17Å; S117-E120 PolarHBondContact OG-OE2 3.27Å; S117-F121 PolarHBondContact O-N 2.91Å
118K97.9Very high95.8Very high80 Ų8042.6 Ų42.635%0.34823%0.226SC..Hα-helixtrans-54.3-41172.1-168.9168.5-173.6172.70111.9Y68 N78 F121 M122Y68-K118 HydrophobicContact CD1-CD 4.1Å; Y68-K118 HydrophobicContact CD1-CG 4.1Å; Y68-K118 HydrophobicContact CD2-CG 4.15Å; Y68-K118 HydrophobicContact CE1-CB 4.18Å; Y68-K118 HydrophobicContact CE1-CD 3.59Å; Y68-K118 HydrophobicContact CE1-CG 3.7Å; Y68-K118 VanDerWaalsContact CE2-CA 3.47Å; Y68-K118 HydrophobicContact CE2-CB 3.76Å; Y68-K118 HydrophobicContact CE2-CG 3.76Å; Y68-K118 HydrophobicContact CG-CG 4.3Å; Y68-K118 WeakPolarHBondContact OH-CB 3.2Å; N78-K118 PolarHBondContact O-N 3.4Å; K118-F121 PolarHBondContact O-N 2.94Å; K118-M122 HydrophobicContact CG-CG 4.12Å; K118-M122 WeakPolarHBondContact O-CB 3.39Å; K118-M122 WeakPolarHBondContact O-CG 3.45Å; K118-M122 PolarHBondContact O-N 3.37Å
119L96.4Very high95.4Very high116 Ų11643.2 Ų43.261%0.60723%0.232SC*.Hα-helixtrans-64-49.1-178.6-176.163.7000111S117 F121 M122 D123S117-L119 PolarHBondContact O-N 3.48Å; L119-F121 VanDerWaalsContact C-N 3.33Å; L119-F121 PolarHBondContact O-N 2.94Å; L119-M122 PolarHBondContact O-N 3.23Å; L119-D123 WeakPolarHBondContact CD1-OD2 3.24Å; L119-D123 VanDerWaalsContact O-CB 3.28Å; L119-D123 WeakPolarHBondContact O-CB 3.48Å; L119-D123 PolarHBondContact O-N 3.21Å
120E98.1Very high95.2Very high33 Ų3337.3 Ų37.315%0.15421%0.21CC..Hα-helixtrans-59.5-43.4178.3-70.1156.1158.800111.8A110 A111 S117 G124A110-E120 WeakPolarHBondContact CA-OE1 3.24Å; A111-E120 WeakPolarHBondContact CB-OE1 3.47Å; A111-E120 PolarHBondContact N-OE1 3.41Å; S117-E120 WeakPolarHBondContact CB-OE2 3.08Å; S117-E120 PolarHBondContact N-OE2 3.28Å; S117-E120 PolarHBondContact O-N 3.06Å; S117-E120 WeakPolarHBondContact OG-CB 3.49Å; S117-E120 WeakPolarHBondContact OG-CG 3.5Å; S117-E120 PolarHBondContact OG-N 3.17Å; S117-E120 PolarHBondContact OG-OE2 3.27Å; E120-G124 WeakPolarHBondContact O-CA 3.39Å; E120-G124 PolarHBondContact O-N 3.47Å
121F98.1Very high95Very high0 Ų037.8 Ų37.80%021%0.212CC..Hα-helixtrans-62.1-49.9176.8-176.2-89.9000112L64 L67 Y68 Y71 I80 F88 F108 S117 K118 L119 M125L64-F121 HydrophobicContact CD1-CD1 4.47Å; L64-F121 HydrophobicContact CD1-CE1 3.79Å; L67-F121 HydrophobicContact CD2-CZ 4.09Å; L67-F121 HydrophobicContact CG-CZ 4.06Å; Y68-F121 HydrophobicContact CD2-CB 4.07Å; Y68-F121 AromaticContact CD2-CD1 3.7Å; Y68-F121 HydrophobicContact CD2-CD1 3.7Å; Y68-F121 HydrophobicContact CD2-CE1 4.35Å; Y68-F121 AromaticContact CD2-CG 3.93Å; Y68-F121 HydrophobicContact CD2-CG 3.93Å; Y68-F121 HydrophobicContact CE2-CB 4.42Å; Y68-F121 HydrophobicContact CG-CD1 4.29Å; Y71-F121 HydrophobicContact CD2-CE2 4.17Å; Y71-F121 HydrophobicContact CD2-CZ 4.24Å; Y71-F121 HydrophobicContact CE2-CZ 4.42Å; I80-F121 HydrophobicContact CD1-CB 4.2Å; I80-F121 HydrophobicContact CD1-CD2 3.53Å; I80-F121 HydrophobicContact CD1-CE2 4.08Å; I80-F121 HydrophobicContact CD1-CG 3.93Å; F88-F121 HydrophobicContact CD2-CE2 4.36Å; F88-F121 HydrophobicContact CE2-CE2 4.03Å; F108-F121 AromaticContact CE2-CD2 3.92Å; F108-F121 HydrophobicContact CE2-CD2 3.92Å; F108-F121 HydrophobicContact CE2-CE2 4.45Å; F108-F121 HydrophobicContact CE2-CG 4.44Å; S117-F121 PolarHBondContact O-N 2.91Å; K118-F121 PolarHBondContact O-N 2.94Å; L119-F121 VanDerWaalsContact C-N 3.33Å; L119-F121 PolarHBondContact O-N 2.94Å; F121-M125 HydrophobicContact CD1-CG 4.39Å; F121-M125 HydrophobicContact CE1-CG 4.11Å; F121-M125 HydrophobicContact CE2-CG 4.39Å; F121-M125 HydrophobicContact CZ-CG 4.1Å; F121-M125 VanDerWaalsContact O-CB 3.3Å; F121-M125 WeakPolarHBondContact O-CB 3.27Å; F121-M125 WeakPolarHBondContact O-CG 3.47Å; F121-M125 PolarHBondContact O-N 3.16Å
122M95.5Very high94.9Very high25 Ų2535.8 Ų35.812%0.12319%0.194CC..Hα-helixtrans-67.2-42.9-176.5-64.8-65.3-68.500111.7L64 E65 K118 L119 T126L64-M122 HydrophobicContact CB-CE 4.3Å; L64-M122 HydrophobicContact CD2-CE 3.7Å; L64-M122 HydrophobicContact CD2-SD 3.92Å; L64-M122 HydrophobicContact CG-CE 3.82Å; L64-M122 HydrophobicContact CG-SD 3.69Å; E65-M122 HydrophobicContact CG-CE 3.92Å; K118-M122 HydrophobicContact CG-CG 4.12Å; K118-M122 WeakPolarHBondContact O-CB 3.39Å; K118-M122 WeakPolarHBondContact O-CG 3.45Å; K118-M122 PolarHBondContact O-N 3.37Å; L119-M122 PolarHBondContact O-N 3.23Å; M122-T126 VanDerWaalsContact O-CB 3.24Å; M122-T126 WeakPolarHBondContact O-CB 3.44Å; M122-T126 PolarHBondContact O-N 3.2Å; M122-T126 PolarHBondContact O-OG1 2.99Å
123D94.6Very high94.9Very high64 Ų6435.6 Ų35.634%0.34219%0.192SC..Hα-helixtrans-70-45.9179.5-74.9-7.3000111.1L119 M125 T126 E127L119-D123 WeakPolarHBondContact CD1-OD2 3.24Å; L119-D123 VanDerWaalsContact O-CB 3.28Å; L119-D123 WeakPolarHBondContact O-CB 3.48Å; L119-D123 PolarHBondContact O-N 3.21Å; D123-M125 PolarHBondContact O-N 3.4Å; D123-T126 PolarHBondContact O-N 3.12Å; D123-E127 WeakPolarHBondContact O-CB 3.47Å; D123-E127 WeakPolarHBondContact O-CG 3.29Å; D123-E127 PolarHBondContact O-N 3.1Å
124G96Very high95Very high0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-58.5-48.817800000112.1E120 T126 E127 L128E120-G124 WeakPolarHBondContact O-CA 3.39Å; E120-G124 PolarHBondContact O-N 3.47Å; G124-T126 VanDerWaalsContact C-N 3.34Å; G124-T126 PolarHBondContact O-N 3.49Å; G124-E127 PolarHBondContact O-N 2.89Å; G124-L128 WeakPolarHBondContact O-CB 3.13Å; G124-L128 VanDerWaalsContact O-CG 3.25Å; G124-L128 WeakPolarHBondContact O-CG 3.5Å; G124-L128 PolarHBondContact O-N 2.57Å
125M95.9Very high95.1Very high0 Ų041.3 Ų41.30%021%0.211CC..Hα-helixtrans-62.6-40.9175.9-71.8-67.6-80.200112.1L64 L67 F108 F121 D123 L128 G129 C130 L136L64-M125 HydrophobicContact CD1-CB 3.46Å; L64-M125 VanDerWaalsContact CD1-CB 3.46Å; L64-M125 HydrophobicContact CD1-CE 3.97Å; L64-M125 HydrophobicContact CD1-CG 3.74Å; L64-M125 HydrophobicContact CD2-CB 4.07Å; L64-M125 HydrophobicContact CG-CB 4.42Å; L67-M125 HydrophobicContact CD2-CE 3.74Å; F108-M125 HydrophobicContact CE2-CG 4.06Å; F108-M125 HydrophobicContact CZ-CG 3.78Å; F108-M125 HydrophobicContact CZ-SD 3.76Å; F121-M125 HydrophobicContact CD1-CG 4.39Å; F121-M125 HydrophobicContact CE1-CG 4.11Å; F121-M125 HydrophobicContact CE2-CG 4.39Å; F121-M125 HydrophobicContact CZ-CG 4.1Å; F121-M125 VanDerWaalsContact O-CB 3.3Å; F121-M125 WeakPolarHBondContact O-CB 3.27Å; F121-M125 WeakPolarHBondContact O-CG 3.47Å; F121-M125 PolarHBondContact O-N 3.16Å; D123-M125 PolarHBondContact O-N 3.4Å; M125-L128 PolarHBondContact O-N 3.18Å; M125-G129 PolarHBondContact O-N 2.92Å; M125-G129 VanDerWaalsContact O-N 3.1Å; M125-C130 CarbonylContact C-O 3.58Å; M125-C130 HydrophobicContact CE-CB 3.68Å; M125-C130 PolarHBondContact O-N 3.11Å; M125-C130 HydrophobicContact SD-CB 3.85Å; M125-L136 HydrophobicContact SD-CB 4.31Å; M125-L136 HydrophobicContact SD-CD1 4.21Å; M125-L136 HydrophobicContact SD-CD2 3.9Å; M125-L136 HydrophobicContact SD-CG 4.37Å
126T91.4Very high95.1Very high42 Ų4238 Ų3826%0.25820%0.195SC..Hα-helixtrans-64.8-44.5178.1-62.90000112.1K56 L59 M122 D123 G124 L128 G129K56-T126 HydrophobicContact CG-CG2 4.23Å; L59-T126 HydrophobicContact CD1-CG2 3.95Å; M122-T126 VanDerWaalsContact O-CB 3.24Å; M122-T126 WeakPolarHBondContact O-CB 3.44Å; M122-T126 PolarHBondContact O-N 3.2Å; M122-T126 PolarHBondContact O-OG1 2.99Å; D123-T126 PolarHBondContact O-N 3.12Å; G124-T126 VanDerWaalsContact C-N 3.34Å; G124-T126 PolarHBondContact O-N 3.49Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-G129 PolarHBondContact O-N 3.04Å; T126-G129 VanDerWaalsContact O-N 3.12Å
127E90.4Very high95.1Very high81 Ų8142.3 Ų42.338%0.37921%0.214SC..Hα-helixtrans-68.5-33.1179.9-75.4-175.6-168.100113R109 D123 G124 G129R109-E127 IonicContact CZ-OE1 3.41Å; R109-E127 IonicContact CZ-OE2 3.2Å; R109-E127 VanDerWaalsContact NH1-CD 3.3Å; R109-E127 IonicContact NH1-OE1 3.97Å; R109-E127 PolarHBondContact NH1-OE1 3.27Å; R109-E127 IonicContact NH1-OE2 2.76Å; R109-E127 PolarHBondContact NH1-OE2 3.48Å; R109-E127 IonicContact NH2-OE1 2.92Å; R109-E127 PolarHBondContact NH2-OE1 2.91Å; R109-E127 IonicContact NH2-OE2 3.18Å; D123-E127 WeakPolarHBondContact O-CB 3.47Å; D123-E127 WeakPolarHBondContact O-CG 3.29Å; D123-E127 PolarHBondContact O-N 3.1Å; G124-E127 PolarHBondContact O-N 2.89Å; E127-G129 PolarHBondContact O-N 3.3Å
128L91.9Very high95Very high24 Ų2443.7 Ų43.713%0.12623%0.228CC..THydrogen-bonded Turntrans-79-4.5173.1-66.6173.3000113K107 F108 G124 M125 T126 C130 L136 M143K107-L128 HydrophobicContact CB-CD1 4.43Å; F108-L128 HydrophobicContact CD1-CD1 4.19Å; F108-L128 HydrophobicContact CE1-CD1 3.59Å; G124-L128 WeakPolarHBondContact O-CB 3.13Å; G124-L128 VanDerWaalsContact O-CG 3.25Å; G124-L128 WeakPolarHBondContact O-CG 3.5Å; G124-L128 PolarHBondContact O-N 2.57Å; M125-L128 PolarHBondContact O-N 3.18Å; T126-L128 VanDerWaalsContact C-N 3.33Å; L128-C130 VanDerWaalsContact C-N 3.3Å; L128-C130 PolarHBondContact O-N 3.09Å; L128-C130 PolarHBondContact O-SG 2.76Å; L128-C130 VanDerWaalsContact O-SG 3.37Å; L128-L136 HydrophobicContact CD1-CD1 3.66Å; L128-M143 HydrophobicContact CD1-SD 3.94Å; L128-M143 HydrophobicContact CD2-CG 4.48Å; L128-M143 HydrophobicContact CD2-SD 3.91Å
129G89.9Confident94.9Very high14 Ų1442.2 Ų42.214%0.14422%0.222CC..THydrogen-bonded Turntrans64.934.3-177.800000113L59 M125 T126 E127L59-G129 VanDerWaalsContact CD2-C 3.45Å; M125-G129 PolarHBondContact O-N 2.92Å; M125-G129 VanDerWaalsContact O-N 3.1Å; T126-G129 PolarHBondContact O-N 3.04Å; T126-G129 VanDerWaalsContact O-N 3.12Å; E127-G129 PolarHBondContact O-N 3.3Å
130C93.6Very high94.9Very high0 Ų037.5 Ų37.50%020%0.197CC..  trans-112.8133.7-177.2-630000111.5M125 L128 K135 L136M125-C130 CarbonylContact C-O 3.58Å; M125-C130 HydrophobicContact CE-CB 3.68Å; M125-C130 PolarHBondContact O-N 3.11Å; M125-C130 HydrophobicContact SD-CB 3.85Å; L128-C130 VanDerWaalsContact C-N 3.3Å; L128-C130 PolarHBondContact O-N 3.09Å; L128-C130 PolarHBondContact O-SG 2.76Å; L128-C130 VanDerWaalsContact O-SG 3.37Å; C130-K135 HydrophobicContact CB-CB 4.14Å; C130-K135 VanDerWaalsContact SG-C 3.55Å; C130-L136 HydrophobicContact CB-CB 4.32Å; C130-L136 VanDerWaalsContact SG-CA 3.59Å
131D93.4Very high94.8Very high12 Ų1239.6 Ų39.66%0.06421%0.214CC..SBendtrans-127.112.5173.458.812.4000111.7L59 D60 K135L59-D131 HydrophobicContact CD2-CB 4.01Å; D60-D131 PolarHBondContact N-OD2 3.11Å; D131-K135 VanDerWaalsContact OD1-CD 3.28Å; D131-K135 WeakPolarHBondContact OD1-CD 3.47Å; D131-K135 VanDerWaalsContact OD1-CE 3.23Å; D131-K135 WeakPolarHBondContact OD1-CE 3.36Å; D131-K135 IonicContact OD1-NZ 2.75Å; D131-K135 PolarHBondContact OD1-NZ 3.15Å; D131-K135 IonicContact OD2-NZ 2.92Å; D131-K135 PolarHBondContact OD2-NZ 3.21Å
132S94.8Very high94.6Very high26 Ų2645.9 Ų45.918%0.18224%0.241CC..SBendtrans-159.5155.7-174.141.60000110.4E134 K135 L136S132-E134 VanDerWaalsContact C-N 3.31Å; S132-E134 WeakPolarHBondContact CB-OE2 3.25Å; S132-E134 PolarHBondContact O-N 2.87Å; S132-K135 PolarHBondContact O-N 3.45Å; S132-K135 WeakPolarHBondContact OG-CG 3.34Å; S132-L136 PolarHBondContact O-N 3.03Å; S132-L136 VanDerWaalsContact O-N 3.16Å
133I96.8Very high94.7Very high15 Ų1544.9 Ų44.98%0.07724%0.236CC..Hα-helixtrans-65.9-35.9179.4-68.4-61000111.3L67 Y71 F88 D91 L92 K135 L136 K137L67-I133 HydrophobicContact CD1-CD1 4.31Å; L67-I133 HydrophobicContact CD1-CG1 3.97Å; L67-I133 HydrophobicContact CD2-CD1 4.32Å; L67-I133 HydrophobicContact CD2-CG1 4.42Å; Y71-I133 HydrophobicContact CE2-CD1 4.25Å; Y71-I133 WeakPolarHBondContact OH-CD1 3.48Å; Y71-I133 WeakPolarHBondContact OH-CG1 3.26Å; F88-I133 HydrophobicContact CD2-CD1 3.95Å; F88-I133 HydrophobicContact CE2-CD1 3.85Å; D91-I133 HydrophobicContact CB-CG1 4.36Å; D91-I133 HydrophobicContact CB-CG2 4.26Å; D91-I133 WeakPolarHBondContact O-CG2 3.3Å; L92-I133 HydrophobicContact CD2-CG2 3.8Å; L92-I133 HydrophobicContact CG-CG2 4.23Å; I133-K135 VanDerWaalsContact C-N 3.34Å; I133-K135 PolarHBondContact O-N 3.3Å; I133-L136 PolarHBondContact O-N 2.95Å; I133-K137 WeakPolarHBondContact O-CB 3.41Å; I133-K137 PolarHBondContact O-N 3.33Å
134E95.8Very high94.7Very high142 Ų14245.5 Ų45.566%0.66424%0.237SC*.Hα-helixtrans-63.3-41.9178.9-6273.2-161.400111.3S132 K137 A138S132-E134 VanDerWaalsContact C-N 3.31Å; S132-E134 WeakPolarHBondContact CB-OE2 3.25Å; S132-E134 PolarHBondContact O-N 2.87Å; E134-K137 PolarHBondContact O-N 2.98Å; E134-A138 PolarHBondContact O-N 3.19Å
135K95.2Very high94.7Very high80 Ų8051.2 Ų51.235%0.34826%0.264SS..Hα-helixtrans-65.4-43.2174.8-74.1-176.3-172.5170.70111.3C130 D131 S132 I133 A138 Q139C130-K135 HydrophobicContact CB-CB 4.14Å; C130-K135 VanDerWaalsContact SG-C 3.55Å; D131-K135 VanDerWaalsContact OD1-CD 3.28Å; D131-K135 WeakPolarHBondContact OD1-CD 3.47Å; D131-K135 VanDerWaalsContact OD1-CE 3.23Å; D131-K135 WeakPolarHBondContact OD1-CE 3.36Å; D131-K135 IonicContact OD1-NZ 2.75Å; D131-K135 PolarHBondContact OD1-NZ 3.15Å; D131-K135 IonicContact OD2-NZ 2.92Å; D131-K135 PolarHBondContact OD2-NZ 3.21Å; S132-K135 PolarHBondContact O-N 3.45Å; S132-K135 WeakPolarHBondContact OG-CG 3.34Å; I133-K135 VanDerWaalsContact C-N 3.34Å; I133-K135 PolarHBondContact O-N 3.3Å; K135-A138 PolarHBondContact O-N 3.44Å; K135-Q139 WeakPolarHBondContact O-CG 3.33Å; K135-Q139 PolarHBondContact O-N 3.37Å
136L97.1Very high94.7Very high0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-62.4-44.6177.7-178.962.2000111.3F88 L92 F108 M125 L128 C130 S132 I133 A138 Q139 I140 M143F88-L136 HydrophobicContact CE2-CD2 3.73Å; F88-L136 HydrophobicContact CZ-CD2 3.43Å; F88-L136 VanDerWaalsContact CZ-CD2 3.43Å; L92-L136 HydrophobicContact CD1-CD2 4.13Å; L92-L136 HydrophobicContact CD2-CB 4.43Å; L92-L136 HydrophobicContact CD2-CD2 4.13Å; L92-L136 HydrophobicContact CD2-CG 4.22Å; F108-L136 HydrophobicContact CE1-CD1 4.28Å; F108-L136 HydrophobicContact CZ-CD2 4.34Å; M125-L136 HydrophobicContact SD-CB 4.31Å; M125-L136 HydrophobicContact SD-CD1 4.21Å; M125-L136 HydrophobicContact SD-CD2 3.9Å; M125-L136 HydrophobicContact SD-CG 4.37Å; L128-L136 HydrophobicContact CD1-CD1 3.66Å; C130-L136 HydrophobicContact CB-CB 4.32Å; C130-L136 VanDerWaalsContact SG-CA 3.59Å; S132-L136 PolarHBondContact O-N 3.03Å; S132-L136 VanDerWaalsContact O-N 3.16Å; I133-L136 PolarHBondContact O-N 2.95Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 2.83Å; L136-Q139 WeakPolarHBondContact O-CA 3.17Å; L136-Q139 WeakPolarHBondContact O-CB 3.45Å; L136-Q139 PolarHBondContact O-N 2.98Å; L136-I140 PolarHBondContact O-N 3.39Å; L136-M143 HydrophobicContact CD1-CE 4.14Å
137K96.6Very high94.9Very high98 Ų9852 Ų5243%0.42627%0.265SS..Hα-helixtrans-58.2-39.5175.9-167.9167.9-174.4154.30111.9L92 I133 E134 Q139 I140L92-K137 HydrophobicContact CD2-CB 4.11Å; L92-K137 WeakPolarHBondContact O-CE 3.41Å; L92-K137 PolarHBondContact O-NZ 3.13Å; I133-K137 WeakPolarHBondContact O-CB 3.41Å; I133-K137 PolarHBondContact O-N 3.33Å; E134-K137 PolarHBondContact O-N 2.98Å; K137-Q139 PolarHBondContact O-N 3Å; K137-I140 HydrophobicContact CG-CD1 4.43Å; K137-I140 WeakPolarHBondContact O-CB 3.47Å; K137-I140 PolarHBondContact O-N 3.14Å
138A95.3Very high95.1Very high66 Ų6654.8 Ų54.855%0.54528%0.276SS..Hα-helixtrans-68.5-19.4175.200000114E134 K135 L136E134-A138 PolarHBondContact O-N 3.19Å; K135-A138 PolarHBondContact O-N 3.44Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 2.83Å
139Q95.4Very high95.3Very high49 Ų4959.5 Ų59.523%0.22930%0.297CS..Hα-helixtrans-84-21.8174.3-64.3-64.5-21.200112.9K135 L136 K137 K142 M143K135-Q139 WeakPolarHBondContact O-CG 3.33Å; K135-Q139 PolarHBondContact O-N 3.37Å; L136-Q139 WeakPolarHBondContact O-CA 3.17Å; L136-Q139 WeakPolarHBondContact O-CB 3.45Å; L136-Q139 PolarHBondContact O-N 2.98Å; K137-Q139 PolarHBondContact O-N 3Å; Q139-K142 WeakPolarHBondContact O-CB 3.46Å; Q139-K142 PolarHBondContact O-N 2.82Å; Q139-M143 HydrophobicContact CB-CE 4.01Å; Q139-M143 WeakPolarHBondContact O-CG 3.33Å; Q139-M143 PolarHBondContact O-N 3.43Å; Q139-M143 VanDerWaalsContact O-N 3.09Å
140I96.1Very high95.5Very high16 Ų1663.7 Ų63.78%0.08232%0.322CS..Hα-helixtrans-50.3-51.1-175.7-70.4171.5000112.9L92 L94 T100 I104 L136 K137 K142 M143 E144L92-I140 HydrophobicContact CD2-CD1 4.37Å; L94-I140 HydrophobicContact CD1-CD1 3.98Å; T100-I140 HydrophobicContact CG2-CD1 4.22Å; T100-I140 HydrophobicContact CG2-CG1 4.38Å; T100-I140 HydrophobicContact CG2-CG2 3.47Å; T100-I140 VanDerWaalsContact CG2-CG2 3.47Å; I104-I140 HydrophobicContact CD1-CD1 4.29Å; I104-I140 HydrophobicContact CD1-CG1 4.37Å; L136-I140 PolarHBondContact O-N 3.39Å; K137-I140 HydrophobicContact CG-CD1 4.43Å; K137-I140 WeakPolarHBondContact O-CB 3.47Å; K137-I140 PolarHBondContact O-N 3.14Å; I140-K142 PolarHBondContact O-N 3.49Å; I140-K142 VanDerWaalsContact O-N 3.15Å; I140-M143 HydrophobicContact CB-CE 4.26Å; I140-M143 HydrophobicContact CG1-CE 3.74Å; I140-M143 WeakPolarHBondContact O-CB 3.19Å; I140-M143 PolarHBondContact O-N 3.03Å; I140-E144 HydrophobicContact CG2-CG 4.35Å; I140-E144 PolarHBondContact O-N 3.06Å
141P97Very high95.7Very high77 Ų7766.3 Ų66.350%0.535%0.349SS..Hα-helixtrans-60.6-31.5-178.9-24.835.5000113.3Q145P141-Q145 WeakPolarHBondContact O-CB 3.48Å; P141-Q145 PolarHBondContact O-N 3.22Å
142K95Very high95.9Very high132 Ų13269.6 Ų69.657%0.57436%0.36SS*.Hα-helixtrans-71.7-39.8177-62.7176.7-176172.10111.4Q139 I140 E144 Q145 E146Q139-K142 WeakPolarHBondContact O-CB 3.46Å; Q139-K142 PolarHBondContact O-N 2.82Å; I140-K142 PolarHBondContact O-N 3.49Å; I140-K142 VanDerWaalsContact O-N 3.15Å; K142-E144 VanDerWaalsContact C-N 3.34Å; K142-Q145 PolarHBondContact O-N 2.74Å; K142-E146 PolarHBondContact O-N 3.22Å
143M95.9Very high96.1Very high5 Ų568.8 Ų68.83%0.02535%0.353CS..Hα-helixtrans-64.2-40.7176.1-60.7-174.6-7900110.9I103 I104 K107 L128 L136 Q139 I140 E146I103-M143 HydrophobicContact CG2-CB 3.71Å; I104-M143 HydrophobicContact CG1-CE 4.11Å; K107-M143 HydrophobicContact CB-SD 4.06Å; K107-M143 HydrophobicContact CD-CG 4.49Å; K107-M143 HydrophobicContact CG-CB 4.38Å; K107-M143 HydrophobicContact CG-CG 4.05Å; K107-M143 HydrophobicContact CG-SD 3.61Å; L128-M143 HydrophobicContact CD1-SD 3.94Å; L128-M143 HydrophobicContact CD2-CG 4.48Å; L128-M143 HydrophobicContact CD2-SD 3.91Å; L136-M143 HydrophobicContact CD1-CE 4.14Å; Q139-M143 HydrophobicContact CB-CE 4.01Å; Q139-M143 WeakPolarHBondContact O-CG 3.33Å; Q139-M143 PolarHBondContact O-N 3.43Å; Q139-M143 VanDerWaalsContact O-N 3.09Å; I140-M143 HydrophobicContact CB-CE 4.26Å; I140-M143 HydrophobicContact CG1-CE 3.74Å; I140-M143 WeakPolarHBondContact O-CB 3.19Å; I140-M143 PolarHBondContact O-N 3.03Å; M143-E146 WeakPolarHBondContact O-CB 3.23Å; M143-E146 PolarHBondContact O-N 3.38Å
144E95.8Very high96.2Very high76 Ų7671.6 Ų71.636%0.35537%0.365SS..Hα-helixtrans-66.4-40.1174.6-69.9173.7163.600112.1T100 I103 I140 K142 E146 L147T100-E144 PolarHBondContact OG1-OE1 2.92Å; I103-E144 HydrophobicContact CD1-CG 3.94Å; I140-E144 HydrophobicContact CG2-CG 4.35Å; I140-E144 PolarHBondContact O-N 3.06Å; K142-E144 VanDerWaalsContact C-N 3.34Å; E144-E146 VanDerWaalsContact C-N 3.29Å; E144-E146 PolarHBondContact O-N 2.97Å; E144-L147 PolarHBondContact O-N 3.02Å
145Q95.9Very high96.3Very high120 Ų12068.1 Ų68.156%0.56135%0.351SS*.Hα-helixtrans-65.1-33177.6-174.9133.215.500112.7P141 K142 L147 K148P141-Q145 WeakPolarHBondContact O-CB 3.48Å; P141-Q145 PolarHBondContact O-N 3.22Å; K142-Q145 PolarHBondContact O-N 2.74Å; Q145-L147 PolarHBondContact O-N 2.93Å; Q145-K148 HydrophobicContact CG-CD 4.32Å; Q145-K148 WeakPolarHBondContact O-CB 3.32Å; Q145-K148 WeakPolarHBondContact O-CG 3.37Å; Q145-K148 PolarHBondContact O-N 3.05Å; Q145-K148 VanDerWaalsContact O-N 3.07Å
146E94.7Very high96.5Very high54 Ų5464.3 Ų64.325%0.25234%0.335SS..Hα-helixtrans-58.2-32.3175.1-168.5175.3179.300112.2W106 K107 K142 M143 E144 K148 E149 R152W106-E146 HydrophobicContact CH2-CG 4.21Å; K107-E146 IonicContact NZ-OE1 2.69Å; K107-E146 PolarHBondContact NZ-OE1 3.4Å; K107-E146 IonicContact NZ-OE2 3.38Å; K107-E146 PolarHBondContact NZ-OE2 2.76Å; K142-E146 PolarHBondContact O-N 3.22Å; M143-E146 WeakPolarHBondContact O-CB 3.23Å; M143-E146 PolarHBondContact O-N 3.38Å; E144-E146 VanDerWaalsContact C-N 3.29Å; E144-E146 PolarHBondContact O-N 2.97Å; E146-K148 PolarHBondContact O-N 2.74Å; E146-E149 PolarHBondContact O-N 2.74Å; E146-R152 HydrophobicContact CG-CB 4.13Å; E146-R152 HydrophobicContact CG-CG 3.88Å; E146-R152 VanDerWaalsContact O-CB 3.27Å; E146-R152 WeakPolarHBondContact O-CB 3.4Å; E146-R152 IonicContact OE1-CZ 3.8Å; E146-R152 IonicContact OE1-NE 2.85Å; E146-R152 PolarHBondContact OE1-NE 3.01Å; E146-R152 IonicContact OE1-NH2 2.71Å; E146-R152 PolarHBondContact OE1-NH2 2.7Å
147L96.1Very high96.6Very high6 Ų664.4 Ų64.43%0.03134%0.335CS..THydrogen-bonded Turntrans-77.82.7178-62.7-168000114.9I103 W106 E144 Q145 E149 F153 F156 R188I103-L147 HydrophobicContact CD1-CD1 3.63Å; I103-L147 HydrophobicContact CG1-CD1 3.64Å; W106-L147 HydrophobicContact CE3-CD2 4.27Å; W106-L147 HydrophobicContact CH2-CD2 3.62Å; W106-L147 HydrophobicContact CZ2-CD2 4.3Å; W106-L147 HydrophobicContact CZ3-CD2 3.6Å; W106-L147 HydrophobicContact CZ3-CG 4.3Å; E144-L147 PolarHBondContact O-N 3.02Å; Q145-L147 PolarHBondContact O-N 2.93Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-F153 HydrophobicContact CB-CD2 4.47Å; L147-F156 HydrophobicContact CD1-CD1 3.82Å; L147-F156 HydrophobicContact CD1-CD2 4.25Å; L147-F156 HydrophobicContact CD1-CE1 4.03Å; L147-F156 HydrophobicContact CD1-CE2 4.44Å; L147-F156 HydrophobicContact CD1-CG 3.93Å; L147-F156 HydrophobicContact CD1-CZ 4.33Å; L147-F156 HydrophobicContact CD2-CB 3.57Å; L147-F156 HydrophobicContact CD2-CD1 4.33Å; L147-F156 HydrophobicContact CD2-CD2 4.47Å; L147-F156 HydrophobicContact CD2-CG 3.89Å; L147-R188 PolarHBondContact O-NH2 3.26Å
148K94.8Very high96.6Very high139 Ų13962.6 Ų62.660%0.60433%0.328SS*.THydrogen-bonded Turntrans-75.1-26.2166.8-63.6-176.9-177.5176.30111.4Q145 E146 P150Q145-K148 HydrophobicContact CG-CD 4.32Å; Q145-K148 WeakPolarHBondContact O-CB 3.32Å; Q145-K148 WeakPolarHBondContact O-CG 3.37Å; Q145-K148 PolarHBondContact O-N 3.05Å; Q145-K148 VanDerWaalsContact O-N 3.07Å; E146-K148 PolarHBondContact O-N 2.74Å; K148-P150 WeakPolarHBondContact O-CD 3.47Å
149E95.6Very high96.8Very high123 Ų12360.9 Ų60.958%0.57531%0.308SS*.SBendtrans-75.1122.4175.9-66.6-58.4123.700110.4E146 L147 G151 R152 F153E146-E149 PolarHBondContact O-N 2.74Å; L147-E149 VanDerWaalsContact C-N 3.3Å; E149-G151 VanDerWaalsContact C-N 3.26Å; E149-G151 PolarHBondContact O-N 2.82Å; E149-R152 HydrophobicContact CB-CB 4.19Å; E149-R152 HydrophobicContact CB-CG 3.93Å; E149-R152 PolarHBondContact O-N 2.73Å; E149-F153 PolarHBondContact O-N 3.01Å
150P95.5Very high97Very high102 Ų10258.6 Ų58.666%0.66230%0.297SS*.Hα-helixtrans-55.6-38.8-175.6-28.235.2000113.8K148 F153 K154K148-P150 WeakPolarHBondContact O-CD 3.47Å; P150-F153 PolarHBondContact O-N 3.41Å; P150-K154 WeakPolarHBondContact O-CB 3.39Å; P150-K154 PolarHBondContact O-N 2.69Å
151G97.3Very high97.1Very high55 Ų5557.9 Ų57.957%0.56729%0.294SS*.Hα-helixtrans-65.9-37.6178.100000113.4E149 K154 D155E149-G151 VanDerWaalsContact C-N 3.26Å; E149-G151 PolarHBondContact O-N 2.82Å; G151-K154 PolarHBondContact O-N 3.2Å; G151-D155 PolarHBondContact O-N 3.21Å; G151-D155 VanDerWaalsContact O-N 3.11Å
152R98Very high97.1Very high80 Ų8057.1 Ų57.130%0.30229%0.285SS..Hα-helixtrans-74-36.9176.6-59.8-59-68.2132.70.8111.3W106 E146 E149 D155 F156W106-R152 HydrophobicContact CH2-CB 4.48Å; W106-R152 VanDerWaalsContact CZ2-CZ 3.4Å; E146-R152 HydrophobicContact CG-CB 4.13Å; E146-R152 HydrophobicContact CG-CG 3.88Å; E146-R152 VanDerWaalsContact O-CB 3.27Å; E146-R152 WeakPolarHBondContact O-CB 3.4Å; E146-R152 IonicContact OE1-CZ 3.8Å; E146-R152 IonicContact OE1-NE 2.85Å; E146-R152 PolarHBondContact OE1-NE 3.01Å; E146-R152 IonicContact OE1-NH2 2.71Å; E146-R152 PolarHBondContact OE1-NH2 2.7Å; E149-R152 HydrophobicContact CB-CB 4.19Å; E149-R152 HydrophobicContact CB-CG 3.93Å; E149-R152 PolarHBondContact O-N 2.73Å; R152-D155 IonicContact CZ-OD2 2.71Å; R152-D155 IonicContact NH1-OD2 3.09Å; R152-D155 PolarHBondContact NH1-OD2 3.01Å; R152-D155 PolarHBondContact O-N 2.71Å; R152-F156 WeakPolarHBondContact O-CB 3.37Å; R152-F156 PolarHBondContact O-N 3.26Å
153F98.4Very high97.2Very high10 Ų1051.6 Ų51.64%0.04426%0.262CS..Hα-helixtrans-63.4-41172.1-174.5-100.4000112.1L147 E149 P150 D155 F156 Y157 V184 L185 L216L147-F153 HydrophobicContact CB-CD2 4.47Å; E149-F153 PolarHBondContact O-N 3.01Å; P150-F153 PolarHBondContact O-N 3.41Å; F153-D155 PolarHBondContact O-N 2.89Å; F153-F156 HydrophobicContact CD2-CD1 4.19Å; F153-F156 HydrophobicContact CE2-CD1 4.09Å; F153-F156 HydrophobicContact CE2-CE1 4.43Å; F153-F156 PolarHBondContact O-N 2.9Å; F153-Y157 VanDerWaalsContact O-CB 3.25Å; F153-Y157 WeakPolarHBondContact O-CB 3.2Å; F153-Y157 PolarHBondContact O-N 3.13Å; F153-V184 WeakPolarHBondContact CZ-O 3.24Å; F153-L185 HydrophobicContact CE1-CD2 4.37Å; F153-L185 HydrophobicContact CZ-CD2 4.29Å; F153-L216 HydrophobicContact CD1-CD1 4.18Å; F153-L216 HydrophobicContact CD1-CD2 4.35Å; F153-L216 HydrophobicContact CE1-CD1 3.74Å; F153-L216 HydrophobicContact CE1-CD2 4.42Å
154K98.4Very high97.3Very high73 Ų7351.4 Ų51.432%0.31726%0.261SS..Hα-helixtrans-60.4-45.1174.6-175.5163.5-174.6153.60111.6P150 G151 Y157 Q158 L216 D217P150-K154 WeakPolarHBondContact O-CB 3.39Å; P150-K154 PolarHBondContact O-N 2.69Å; G151-K154 PolarHBondContact O-N 3.2Å; K154-Y157 PolarHBondContact O-N 2.87Å; K154-Q158 WeakPolarHBondContact O-CB 3.49Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.19Å; K154-Q158 PolarHBondContact O-N 2.67Å; K154-L216 HydrophobicContact CB-CD2 4.05Å; K154-L216 HydrophobicContact CG-CD2 4.05Å; K154-D217 IonicContact NZ-OD1 3.59Å; K154-D217 PolarHBondContact NZ-OD1 3.06Å; K154-D217 IonicContact NZ-OD2 2.88Å; K154-D217 PolarHBondContact NZ-OD2 3.31Å
155D98.6Very high97.2Very high70 Ų7049.4 Ų49.437%0.37425%0.251SS..Hα-helixtrans-58.7-49174.6-179.660.7000112.1W106 G151 R152 F153 Y157 Q158 F159W106-D155 WeakPolarHBondContact CZ2-OD2 3.4Å; W106-D155 PolarHBondContact NE1-OD2 2.96Å; G151-D155 PolarHBondContact O-N 3.21Å; G151-D155 VanDerWaalsContact O-N 3.11Å; R152-D155 IonicContact CZ-OD2 2.71Å; R152-D155 IonicContact NH1-OD2 3.09Å; R152-D155 PolarHBondContact NH1-OD2 3.01Å; R152-D155 PolarHBondContact O-N 2.71Å; F153-D155 PolarHBondContact O-N 2.89Å; D155-Y157 PolarHBondContact O-N 3.16Å; D155-Q158 PolarHBondContact O-N 2.74Å; D155-F159 WeakPolarHBondContact O-CB 3.42Å; D155-F159 PolarHBondContact O-N 3.09Å
156F98.8Very high97.1Very high0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-58.2-47.8175.1169.7-105.8000112.7I99 L102 I103 W106 L147 R152 F153 Q158 F159 T160 V184I99-F156 HydrophobicContact CD1-CE1 4.47Å; I99-F156 HydrophobicContact CG1-CZ 4.21Å; L102-F156 HydrophobicContact CB-CZ 4.41Å; L102-F156 HydrophobicContact CD2-CE2 4.28Å; L102-F156 HydrophobicContact CD2-CZ 3.77Å; L102-F156 HydrophobicContact CG-CE2 3.82Å; L102-F156 HydrophobicContact CG-CZ 3.78Å; I103-F156 HydrophobicContact CB-CE2 4.48Å; I103-F156 HydrophobicContact CG1-CE2 3.82Å; I103-F156 HydrophobicContact CG1-CZ 3.98Å; W106-F156 HydrophobicContact CB-CD2 3.71Å; W106-F156 HydrophobicContact CB-CE2 4.12Å; W106-F156 HydrophobicContact CD2-CB 4.13Å; W106-F156 AromaticContact CD2-CD2 3.85Å; W106-F156 HydrophobicContact CD2-CD2 3.85Å; W106-F156 HydrophobicContact CD2-CG 4.48Å; W106-F156 HydrophobicContact CE3-CD2 4.06Å; W106-F156 HydrophobicContact CG-CB 4.42Å; W106-F156 AromaticContact CG-CD2 3.72Å; W106-F156 HydrophobicContact CG-CD2 3.72Å; W106-F156 HydrophobicContact CZ2-CB 4.25Å; L147-F156 HydrophobicContact CD1-CD1 3.82Å; L147-F156 HydrophobicContact CD1-CD2 4.25Å; L147-F156 HydrophobicContact CD1-CE1 4.03Å; L147-F156 HydrophobicContact CD1-CE2 4.44Å; L147-F156 HydrophobicContact CD1-CG 3.93Å; L147-F156 HydrophobicContact CD1-CZ 4.33Å; L147-F156 HydrophobicContact CD2-CB 3.57Å; L147-F156 HydrophobicContact CD2-CD1 4.33Å; L147-F156 HydrophobicContact CD2-CD2 4.47Å; L147-F156 HydrophobicContact CD2-CG 3.89Å; R152-F156 WeakPolarHBondContact O-CB 3.37Å; R152-F156 PolarHBondContact O-N 3.26Å; F153-F156 HydrophobicContact CD2-CD1 4.19Å; F153-F156 HydrophobicContact CE2-CD1 4.09Å; F153-F156 HydrophobicContact CE2-CE1 4.43Å; F153-F156 PolarHBondContact O-N 2.9Å; F156-Q158 PolarHBondContact O-N 3.31Å; F156-F159 WeakPolarHBondContact O-CB 3.35Å; F156-F159 PolarHBondContact O-N 2.69Å; F156-T160 PolarHBondContact O-N 3.49Å; F156-T160 PolarHBondContact O-OG1 2.91Å; F156-V184 HydrophobicContact CE1-CB 4.19Å; F156-V184 HydrophobicContact CE1-CG1 3.81Å; F156-V184 HydrophobicContact CZ-CG1 4.11Å
157Y98.8Very high96.9Very high1 Ų149.6 Ų49.60%0.00426%0.263CS..Hα-helixtrans-61.5-42.2179.7176.2-97.4000112.2F153 K154 D155 T160 W181 V184 L185 W212 L216F153-Y157 VanDerWaalsContact O-CB 3.25Å; F153-Y157 WeakPolarHBondContact O-CB 3.2Å; F153-Y157 PolarHBondContact O-N 3.13Å; K154-Y157 PolarHBondContact O-N 2.87Å; D155-Y157 PolarHBondContact O-N 3.16Å; Y157-T160 WeakPolarHBondContact O-CB 3.48Å; Y157-T160 PolarHBondContact O-N 2.88Å; Y157-W181 AromaticContact CE2-CD1 3.96Å; Y157-W181 AromaticContact CZ-NE1 3.85Å; Y157-W181 PolarHBondContact OH-NE1 3.01Å; Y157-V184 HydrophobicContact CD2-CG2 3.69Å; Y157-V184 HydrophobicContact CE2-CG2 3.92Å; Y157-L185 HydrophobicContact CD2-CD2 3.96Å; Y157-L185 HydrophobicContact CE2-CD1 4Å; Y157-L185 HydrophobicContact CE2-CD2 3.73Å; Y157-L185 HydrophobicContact CE2-CG 3.94Å; Y157-W212 AromaticContact CD1-NE1 3.65Å; Y157-W212 HydrophobicContact CD2-CZ2 4.26Å; Y157-W212 AromaticContact CE1-CD1 3.47Å; Y157-W212 VanDerWaalsContact CE1-CD1 3.47Å; Y157-W212 HydrophobicContact CE1-CG 4.28Å; Y157-W212 AromaticContact CE1-NE1 3.32Å; Y157-W212 VanDerWaalsContact CE1-NE1 3.32Å; Y157-W212 WeakPolarHBondContact CE1-O 3.21Å; Y157-W212 AromaticContact CE2-CE2 3.85Å; Y157-W212 AromaticContact CE2-CZ2 3.83Å; Y157-W212 HydrophobicContact CE2-CZ2 3.83Å; Y157-W212 AromaticContact CE2-NE1 3.83Å; Y157-W212 AromaticContact CZ-CD1 3.79Å; Y157-W212 AromaticContact CZ-CE2 3.67Å; Y157-W212 AromaticContact CZ-NE1 3.41Å; Y157-W212 VanDerWaalsContact CZ-O 3.28Å; Y157-W212 PolarHBondContact O-NE1 3.44Å; Y157-W212 PolarHBondContact OH-O 3.4Å; Y157-L216 HydrophobicContact CD1-CB 3.76Å; Y157-L216 HydrophobicContact CD1-CD2 3.65Å; Y157-L216 HydrophobicContact CD1-CG 4.28Å; Y157-L216 HydrophobicContact CE1-CB 3.54Å; Y157-L216 HydrophobicContact CE1-CD2 4.33Å; Y157-L216 HydrophobicContact CG-CB 4.39Å; Y157-L216 HydrophobicContact CG-CD2 3.87Å
158Q98.4Very high96.6Very high61 Ų6153.3 Ų53.329%0.28530%0.303SS..Hα-helixtrans-71.3-32177-68.5-175.2-5.700112.6K154 D155 F156 N162 N213K154-Q158 WeakPolarHBondContact O-CB 3.49Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.19Å; K154-Q158 PolarHBondContact O-N 2.67Å; D155-Q158 PolarHBondContact O-N 2.74Å; F156-Q158 PolarHBondContact O-N 3.31Å; Q158-N162 PolarHBondContact O-ND2 2.8Å; Q158-N213 WeakPolarHBondContact CG-OD1 3.49Å
159F98.6Very high96.5Very high30 Ų3051.1 Ų51.113%0.13230%0.295CS..Hα-helixtrans-59.6-47171.8162.8-91.5000111L102 A105 W106 A110 D155 F156 F161 N162 F163L102-F159 HydrophobicContact CD1-CE1 4.27Å; A105-F159 HydrophobicContact CB-CE1 4.45Å; A105-F159 HydrophobicContact CB-CZ 4.4Å; A105-F159 WeakPolarHBondContact O-CZ 3.26Å; W106-F159 VanDerWaalsContact CA-CE1 3.4Å; W106-F159 HydrophobicContact CB-CD1 3.59Å; W106-F159 HydrophobicContact CB-CE1 3.66Å; W106-F159 HydrophobicContact CB-CG 4.15Å; W106-F159 HydrophobicContact CB-CZ 4.26Å; W106-F159 AromaticContact CD1-CD1 3.93Å; W106-F159 AromaticContact CD1-CG 3.63Å; W106-F159 HydrophobicContact CG-CD1 4.13Å; W106-F159 HydrophobicContact CG-CG 4.28Å; A110-F159 HydrophobicContact CB-CZ 4.5Å; A110-F159 WeakPolarHBondContact O-CE2 3.21Å; A110-F159 WeakPolarHBondContact O-CZ 3.45Å; D155-F159 WeakPolarHBondContact O-CB 3.42Å; D155-F159 PolarHBondContact O-N 3.09Å; F156-F159 WeakPolarHBondContact O-CB 3.35Å; F156-F159 PolarHBondContact O-N 2.69Å; F159-F161 PolarHBondContact O-N 2.96Å; F159-F161 VanDerWaalsContact O-N 3.12Å; F159-N162 PolarHBondContact O-N 3.33Å; F159-F163 HydrophobicContact CD1-CB 4.36Å; F159-F163 HydrophobicContact CE1-CB 3.79Å; F159-F163 HydrophobicContact CE1-CD1 4.49Å; F159-F163 HydrophobicContact CE1-CD2 4.27Å; F159-F163 AromaticContact CE1-CG 3.94Å; F159-F163 HydrophobicContact CE1-CG 3.94Å; F159-F163 HydrophobicContact CE2-CB 4.37Å; F159-F163 HydrophobicContact CZ-CB 3.79Å; F159-F163 AromaticContact CZ-CD2 3.81Å; F159-F163 HydrophobicContact CZ-CD2 3.81Å; F159-F163 AromaticContact CZ-CG 3.9Å; F159-F163 HydrophobicContact CZ-CG 3.9Å; F159-F163 PolarHBondContact O-N 2.89Å; F159-F163 VanDerWaalsContact O-N 3.09Å
160T98.7Very high96.3Very high0 Ų054.7 Ų54.70%031%0.308CS..Hα-helixtrans-51.8-39.4-177-54.70000112.8L102 F156 Y157 N162 F163 A164 Y180 V184 W212L102-T160 HydrophobicContact CD1-CG2 4.5Å; L102-T160 HydrophobicContact CD2-CG2 3.89Å; F156-T160 PolarHBondContact O-N 3.49Å; F156-T160 PolarHBondContact O-OG1 2.91Å; Y157-T160 WeakPolarHBondContact O-CB 3.48Å; Y157-T160 PolarHBondContact O-N 2.88Å; T160-N162 PolarHBondContact O-N 2.9Å; T160-F163 PolarHBondContact O-N 3.44Å; T160-A164 WeakPolarHBondContact O-CB 3.47Å; T160-A164 PolarHBondContact O-N 2.92Å; T160-Y180 HydrophobicContact CG2-CD1 3.29Å; T160-Y180 HydrophobicContact CG2-CE1 3.99Å; T160-Y180 HydrophobicContact CG2-CG 3.74Å; T160-V184 HydrophobicContact CG2-CG1 4.27Å; T160-W212 HydrophobicContact CG2-CH2 4.28Å; T160-W212 HydrophobicContact CG2-CZ2 3.96Å
161F98.4Very high96.3Very high1 Ų150.3 Ų50.30%0.00428%0.281CS..Hα-helixtrans-58.7-47.5177.1-180-90.8000112.9F159 K165 L172 I207 K209 W212F159-F161 PolarHBondContact O-N 2.96Å; F159-F161 VanDerWaalsContact O-N 3.12Å; F161-K165 HydrophobicContact CE1-CD 3.95Å; F161-K165 HydrophobicContact CZ-CD 4.13Å; F161-K165 VanDerWaalsContact O-CB 3.23Å; F161-K165 WeakPolarHBondContact O-CB 3.23Å; F161-K165 PolarHBondContact O-N 2.82Å; F161-K165 VanDerWaalsContact O-N 3.12Å; F161-L172 HydrophobicContact CD2-CB 4.05Å; F161-L172 HydrophobicContact CD2-CD2 4.21Å; F161-L172 HydrophobicContact CE2-CB 3.58Å; F161-L172 HydrophobicContact CZ-CB 4.21Å; F161-I207 WeakPolarHBondContact CE2-O 3.32Å; F161-K209 HydrophobicContact CD1-CB 3.96Å; F161-K209 HydrophobicContact CD1-CD 4.08Å; F161-K209 HydrophobicContact CD1-CG 3.79Å; F161-K209 HydrophobicContact CE1-CB 3.49Å; F161-K209 VanDerWaalsContact CE1-CB 3.49Å; F161-K209 HydrophobicContact CE1-CD 4.17Å; F161-K209 HydrophobicContact CE1-CG 3.86Å; F161-K209 HydrophobicContact CE2-CB 4.41Å; F161-K209 HydrophobicContact CG-CG 4.39Å; F161-K209 VanDerWaalsContact CZ-CA 3.46Å; F161-K209 HydrophobicContact CZ-CB 3.75Å; F161-K209 HydrophobicContact CZ-CG 4.48Å; F161-K209 VanDerWaalsContact CZ-N 3.34Å; F161-W212 HydrophobicContact CB-CD2 4.06Å; F161-W212 HydrophobicContact CB-CG 3.88Å; F161-W212 HydrophobicContact CD2-CB 3.56Å; F161-W212 AromaticContact CD2-CD2 3.84Å; F161-W212 HydrophobicContact CD2-CD2 3.84Å; F161-W212 HydrophobicContact CD2-CE3 4.14Å; F161-W212 AromaticContact CD2-CG 3.58Å; F161-W212 HydrophobicContact CD2-CG 3.58Å; F161-W212 HydrophobicContact CE2-CB 4.08Å; F161-W212 HydrophobicContact CG-CB 4.31Å; F161-W212 HydrophobicContact CG-CD2 4.45Å; F161-W212 HydrophobicContact CG-CG 4.09Å
162N96.7Very high96.3Very high61 Ų6147.8 Ų47.833%0.32626%0.255SS..Hα-helixtrans-72.5-36.7-176.4-50-69.9000110.6Q158 F159 T160 K209Q158-N162 PolarHBondContact O-ND2 2.8Å; F159-N162 PolarHBondContact O-N 3.33Å; T160-N162 PolarHBondContact O-N 2.9Å; N162-K209 PolarHBondContact ND2-NZ 3.07Å; N162-K209 PolarHBondContact OD1-NZ 3.43Å
163F97.8Very high96.2Very high17 Ų1747.5 Ų47.58%0.07526%0.259CS..Hα-helixtrans-64.2-43.7176.2178.3-104.9000112.6L102 A105 A110 T112 Q113 F159 T160 Y180L102-F163 HydrophobicContact CD1-CD1 3.58Å; L102-F163 HydrophobicContact CD1-CE1 3.68Å; L102-F163 HydrophobicContact CD1-CG 4.47Å; A105-F163 HydrophobicContact CB-CD2 4.47Å; A105-F163 HydrophobicContact CB-CE1 4.4Å; A105-F163 HydrophobicContact CB-CE2 3.84Å; A105-F163 HydrophobicContact CB-CZ 3.79Å; A110-F163 HydrophobicContact CB-CD2 4Å; A110-F163 HydrophobicContact CB-CE2 3.73Å; T112-F163 VanDerWaalsContact C-CE2 3.42Å; T112-F163 CarbonylContact C-O 3.45Å; T112-F163 WeakPolarHBondContact CA-O 3.29Å; T112-F163 VanDerWaalsContact O-CE2 3.23Å; T112-F163 WeakPolarHBondContact O-CE2 3.28Å; Q113-F163 VanDerWaalsContact CA-CZ 3.47Å; Q113-F163 HydrophobicContact CB-CD1 4.17Å; Q113-F163 HydrophobicContact CB-CE1 3.67Å; Q113-F163 HydrophobicContact CB-CE2 4.24Å; Q113-F163 HydrophobicContact CB-CZ 3.73Å; Q113-F163 PolarHBondContact N-O 3.21Å; F159-F163 HydrophobicContact CD1-CB 4.36Å; F159-F163 HydrophobicContact CE1-CB 3.79Å; F159-F163 HydrophobicContact CE1-CD1 4.49Å; F159-F163 HydrophobicContact CE1-CD2 4.27Å; F159-F163 AromaticContact CE1-CG 3.94Å; F159-F163 HydrophobicContact CE1-CG 3.94Å; F159-F163 HydrophobicContact CE2-CB 4.37Å; F159-F163 HydrophobicContact CZ-CB 3.79Å; F159-F163 AromaticContact CZ-CD2 3.81Å; F159-F163 HydrophobicContact CZ-CD2 3.81Å; F159-F163 AromaticContact CZ-CG 3.9Å; F159-F163 HydrophobicContact CZ-CG 3.9Å; F159-F163 PolarHBondContact O-N 2.89Å; F159-F163 VanDerWaalsContact O-N 3.09Å; T160-F163 PolarHBondContact O-N 3.44Å; F163-Y180 HydrophobicContact CD1-CE1 4.34Å; F163-Y180 HydrophobicContact CE1-CE1 4.49Å; F163-Y180 WeakPolarHBondContact CE1-OH 3.46Å
164A97.4Very high96.1Very high1 Ų147.9 Ų47.91%0.00826%0.262CS..Hα-helixtrans-75.3-27.5-178.400000113.3Q113 T160 L172 M176 Y180Q113-A164 PolarHBondContact NE2-O 3.22Å; T160-A164 WeakPolarHBondContact O-CB 3.47Å; T160-A164 PolarHBondContact O-N 2.92Å; A164-L172 HydrophobicContact CB-CD1 3.71Å; A164-L172 HydrophobicContact CB-CD2 4.05Å; A164-L172 WeakPolarHBondContact O-CD1 3.49Å; A164-M176 HydrophobicContact CB-CG 4.25Å; A164-Y180 HydrophobicContact CB-CD2 3.36Å; A164-Y180 HydrophobicContact CB-CE1 4.48Å; A164-Y180 HydrophobicContact CB-CE2 3.23Å; A164-Y180 HydrophobicContact CB-CG 4.07Å
165K95.6Very high96Very high34 Ų3452 Ų5215%0.14828%0.282CS..SBendtrans-78.1129.2-173.5-175.8-176.162.453.20111.2F161 Q169 G171 L172F161-K165 HydrophobicContact CE1-CD 3.95Å; F161-K165 HydrophobicContact CZ-CD 4.13Å; F161-K165 VanDerWaalsContact O-CB 3.23Å; F161-K165 WeakPolarHBondContact O-CB 3.23Å; F161-K165 PolarHBondContact O-N 2.82Å; F161-K165 VanDerWaalsContact O-N 3.12Å; K165-Q169 VanDerWaalsContact CD-O 3.27Å; K165-Q169 WeakPolarHBondContact CD-O 3.49Å; K165-Q169 WeakPolarHBondContact CE-O 3.43Å; K165-Q169 HydrophobicContact CG-CB 4.29Å; K165-Q169 PolarHBondContact NZ-O 3.35Å; K165-G171 WeakPolarHBondContact CD-O 3.36Å; K165-G171 VanDerWaalsContact CG-O 3.3Å; K165-G171 WeakPolarHBondContact CG-O 3.29Å; K165-L172 HydrophobicContact CB-CD1 4.11Å
166N91.8Very high95.9Very high78 Ų7851.8 Ų51.842%0.41728%0.28SS..PPolyproline II helixtrans-49.7132.7172.2-69.2-36.4000112G168 Q169N166-G168 PolarHBondContact O-N 3.04Å; N166-Q169 HydrophobicContact CB-CG 4.02Å; N166-Q169 PolarHBondContact O-N 3.49Å; N166-Q169 VanDerWaalsContact O-N 3.14Å
167P90.5Very high95.8Very high100 Ų10051.8 Ų51.865%0.64928%0.28SS*.THydrogen-bonded Turntrans-52.5136.9172.7-2835.6000111.4Q169P167-Q169 VanDerWaalsContact C-N 3.3Å; P167-Q169 PolarHBondContact O-N 2.87Å
168G90.3Very high95.8Very high84 Ų8452.8 Ų52.887%0.86629%0.285SS*.THydrogen-bonded Turntrans84.1-17.1-17800000116N166N166-G168 PolarHBondContact O-N 3.04Å
169Q92.7Very high95.8Very high92 Ų9252.5 Ų52.543%0.4329%0.293SS..  trans-82.7152.1172.6-62.4-166.27.700111.7K165 N166 P167K165-Q169 VanDerWaalsContact CD-O 3.27Å; K165-Q169 WeakPolarHBondContact CD-O 3.49Å; K165-Q169 WeakPolarHBondContact CE-O 3.43Å; K165-Q169 HydrophobicContact CG-CB 4.29Å; K165-Q169 PolarHBondContact NZ-O 3.35Å; N166-Q169 HydrophobicContact CB-CG 4.02Å; N166-Q169 PolarHBondContact O-N 3.49Å; N166-Q169 VanDerWaalsContact O-N 3.14Å; P167-Q169 VanDerWaalsContact C-N 3.3Å; P167-Q169 PolarHBondContact O-N 2.87Å
170K92.6Very high95.8Very high199 Ų19952.3 Ų52.387%0.86529%0.291SS*.SBendtrans-90.8-30.9176.6-68.6-173.2179.1-178.70113.6
171G94.9Very high95.8Very high9 Ų952.3 Ų52.39%0.09329%0.291CS..EExtended strand (participates in β ladder)trans-116.5162.1178.100000111.5K165 I207K165-G171 WeakPolarHBondContact CD-O 3.36Å; K165-G171 VanDerWaalsContact CG-O 3.3Å; K165-G171 WeakPolarHBondContact CG-O 3.29Å; G171-I207 CarbonylContact C-O 3.55Å; G171-I207 VanDerWaalsContact CA-O 3.26Å; G171-I207 WeakPolarHBondContact CA-O 3.49Å
172L97.3Very high95.8Very high2 Ų255 Ų551%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-87.4136.9173.1-177.459.2000109.4F161 A164 K165 M176 A177 S206 I207 W212F161-L172 HydrophobicContact CD2-CB 4.05Å; F161-L172 HydrophobicContact CD2-CD2 4.21Å; F161-L172 HydrophobicContact CE2-CB 3.58Å; F161-L172 HydrophobicContact CZ-CB 4.21Å; A164-L172 HydrophobicContact CB-CD1 3.71Å; A164-L172 HydrophobicContact CB-CD2 4.05Å; A164-L172 WeakPolarHBondContact O-CD1 3.49Å; K165-L172 HydrophobicContact CB-CD1 4.11Å; L172-M176 HydrophobicContact CD1-CB 3.92Å; L172-M176 HydrophobicContact CD1-CG 3.72Å; L172-M176 HydrophobicContact CG-CB 4.32Å; L172-M176 HydrophobicContact CG-CG 4.49Å; L172-A177 HydrophobicContact CD2-CB 3.75Å; L172-A177 HydrophobicContact CG-CB 3.99Å; L172-S206 CarbonylContact O-C 3.37Å; L172-S206 WeakPolarHBondContact O-CA 3.42Å; L172-S206 VanDerWaalsContact O-CB 3.23Å; L172-S206 WeakPolarHBondContact O-CB 3.13Å; L172-I207 PolarHBondContact N-O 3.37Å; L172-I207 PolarHBondContact O-N 2.49Å; L172-W212 HydrophobicContact CD2-CE3 4.06Å; L172-W212 HydrophobicContact CD2-CZ3 3.88Å
173D95.8Very high95.8Very high75 Ų7554.5 Ų54.540%0.40130%0.303SS..  trans-59146.2174-178.7-95.7000111.3E175 M176 A177D173-E175 PolarHBondContact O-N 3.23Å; D173-E175 WeakPolarHBondContact OD1-CB 3.23Å; D173-E175 PolarHBondContact OD1-N 3.35Å; D173-M176 HydrophobicContact CB-CB 4.29Å; D173-M176 PolarHBondContact O-N 3.24Å; D173-A177 WeakPolarHBondContact O-CB 3.46Å; D173-A177 PolarHBondContact O-N 2.91Å
174L95.9Very high95.8Very high18 Ų1853.8 Ų53.89%0.09430%0.3CS..Hα-helixtrans-62.5-43.9-174.1-17755.7000112.6M176 A177 I178 L199 H203 I207L174-M176 VanDerWaalsContact C-N 3.28Å; L174-M176 PolarHBondContact O-N 2.87Å; L174-A177 PolarHBondContact O-N 2.62Å; L174-I178 HydrophobicContact CD1-CD1 4.02Å; L174-I178 HydrophobicContact CD1-CG1 4.18Å; L174-I178 HydrophobicContact CG-CD1 3.91Å; L174-I178 HydrophobicContact CG-CG1 4.49Å; L174-I178 VanDerWaalsContact O-CG1 3.32Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 2.85Å; L174-L199 HydrophobicContact CD1-CB 4.31Å; L174-L199 HydrophobicContact CD1-CD1 4.09Å; L174-L199 HydrophobicContact CD1-CD2 4.24Å; L174-L199 HydrophobicContact CD1-CG 4.46Å; L174-H203 HydrophobicContact CD2-CB 4.43Å; L174-H203 WeakPolarHBondContact CD2-O 3.45Å; L174-I207 HydrophobicContact CD1-CD1 3.96Å; L174-I207 HydrophobicContact CD1-CG1 4.15Å
175E95.9Very high95.9Very high159 Ų15953.8 Ų53.874%0.74330%0.3SS*.Hα-helixtrans-63.7-41.6-179.1-64-175.717500110D173 I178 A179D173-E175 PolarHBondContact O-N 3.23Å; D173-E175 WeakPolarHBondContact OD1-CB 3.23Å; D173-E175 PolarHBondContact OD1-N 3.35Å; E175-I178 PolarHBondContact O-N 3.42Å; E175-A179 WeakPolarHBondContact O-CB 3.43Å; E175-A179 PolarHBondContact O-N 3.2Å
176M96.6Very high95.9Very high66 Ų6658 Ų5833%0.32532%0.324SS..Hα-helixtrans-66.6-40.8176.4-164.860.366.500111.9A164 L172 D173 L174 A179 Y180A164-M176 HydrophobicContact CB-CG 4.25Å; L172-M176 HydrophobicContact CD1-CB 3.92Å; L172-M176 HydrophobicContact CD1-CG 3.72Å; L172-M176 HydrophobicContact CG-CB 4.32Å; L172-M176 HydrophobicContact CG-CG 4.49Å; D173-M176 HydrophobicContact CB-CB 4.29Å; D173-M176 PolarHBondContact O-N 3.24Å; L174-M176 VanDerWaalsContact C-N 3.28Å; L174-M176 PolarHBondContact O-N 2.87Å; M176-A179 PolarHBondContact O-N 2.95Å; M176-Y180 HydrophobicContact CG-CD2 3.88Å; M176-Y180 HydrophobicContact CG-CE2 3.91Å; M176-Y180 WeakPolarHBondContact O-CD2 3.5Å; M176-Y180 PolarHBondContact O-N 2.98Å; M176-Y180 HydrophobicContact SD-CD2 3.82Å; M176-Y180 HydrophobicContact SD-CE2 3.48Å; M176-Y180 WeakPolarHBondContact SD-CE2 3.18Å
177A98Very high96Very high0 Ų058.1 Ų58.10%034%0.343CS..Hα-helixtrans-61.9-45.8176.400000111.5L172 D173 L174 A179 Y180 W181 I207 W212L172-A177 HydrophobicContact CD2-CB 3.75Å; L172-A177 HydrophobicContact CG-CB 3.99Å; D173-A177 WeakPolarHBondContact O-CB 3.46Å; D173-A177 PolarHBondContact O-N 2.91Å; L174-A177 PolarHBondContact O-N 2.62Å; A177-A179 PolarHBondContact O-N 2.82Å; A177-Y180 PolarHBondContact O-N 3.36Å; A177-W181 VanDerWaalsContact C-CE3 3.45Å; A177-W181 HydrophobicContact CB-CE3 3.9Å; A177-W181 HydrophobicContact CB-CH2 4.11Å; A177-W181 HydrophobicContact CB-CZ3 3.64Å; A177-W181 WeakPolarHBondContact O-CB 3.47Å; A177-W181 VanDerWaalsContact O-CE3 3.26Å; A177-W181 PolarHBondContact O-N 2.89Å; A177-I207 HydrophobicContact CB-CB 4.18Å; A177-I207 HydrophobicContact CB-CG1 3.64Å; A177-W212 HydrophobicContact CB-CE3 4.5Å; A177-W212 HydrophobicContact CB-CZ3 4.19Å
178I98Very high96.3Very high21 Ų2159.2 Ų59.211%0.10834%0.335CS..Hα-helixtrans-59.3-46.8175.3-70.2168.8000110.7L174 E175 Y180 W181 N182 L199 L200L174-I178 HydrophobicContact CD1-CD1 4.02Å; L174-I178 HydrophobicContact CD1-CG1 4.18Å; L174-I178 HydrophobicContact CG-CD1 3.91Å; L174-I178 HydrophobicContact CG-CG1 4.49Å; L174-I178 VanDerWaalsContact O-CG1 3.32Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 2.85Å; E175-I178 PolarHBondContact O-N 3.42Å; I178-Y180 PolarHBondContact O-N 3.17Å; I178-W181 PolarHBondContact O-N 3.5Å; I178-N182 WeakPolarHBondContact CG2-ND2 3.47Å; I178-N182 WeakPolarHBondContact O-CB 3.46Å; I178-N182 PolarHBondContact O-N 3.4Å; I178-N182 PolarHBondContact O-ND2 3.15Å; I178-N182 VanDerWaalsContact O-ND2 3.11Å; I178-L199 HydrophobicContact CD1-CB 4.03Å; I178-L199 HydrophobicContact CD1-CD1 4.23Å; I178-L199 HydrophobicContact CG1-CB 4.44Å; I178-L199 HydrophobicContact CG1-CD1 3.75Å; I178-L200 HydrophobicContact CD1-CD2 4.02Å; I178-L200 HydrophobicContact CD1-CG 4.34Å
179A97.9Very high96.6Very high55 Ų5555.5 Ų55.546%0.45530%0.295SS..Hα-helixtrans-58.7-48.917900000112E175 M176 A177 N182 L183E175-A179 WeakPolarHBondContact O-CB 3.43Å; E175-A179 PolarHBondContact O-N 3.2Å; M176-A179 PolarHBondContact O-N 2.95Å; A177-A179 PolarHBondContact O-N 2.82Å; A179-N182 PolarHBondContact O-N 2.97Å; A179-L183 PolarHBondContact O-N 3.4Å
180Y98.6Very high96.8Very high26 Ų2655.9 Ų55.910%0.10230%0.295CS..Hα-helixtrans-70.9-35.7179.2-83.6-77.4000113L102 Q113 T160 F163 A164 M176 A177 I178 N182 L183 V184L102-Y180 HydrophobicContact CD1-CE1 3.96Å; L102-Y180 HydrophobicContact CD2-CD1 3.85Å; L102-Y180 HydrophobicContact CD2-CE1 3.92Å; Q113-Y180 PolarHBondContact OE1-OH 3.42Å; T160-Y180 HydrophobicContact CG2-CD1 3.29Å; T160-Y180 HydrophobicContact CG2-CE1 3.99Å; T160-Y180 HydrophobicContact CG2-CG 3.74Å; F163-Y180 HydrophobicContact CD1-CE1 4.34Å; F163-Y180 HydrophobicContact CE1-CE1 4.49Å; F163-Y180 WeakPolarHBondContact CE1-OH 3.46Å; A164-Y180 HydrophobicContact CB-CD2 3.36Å; A164-Y180 HydrophobicContact CB-CE1 4.48Å; A164-Y180 HydrophobicContact CB-CE2 3.23Å; A164-Y180 HydrophobicContact CB-CG 4.07Å; M176-Y180 HydrophobicContact CG-CD2 3.88Å; M176-Y180 HydrophobicContact CG-CE2 3.91Å; M176-Y180 WeakPolarHBondContact O-CD2 3.5Å; M176-Y180 PolarHBondContact O-N 2.98Å; M176-Y180 HydrophobicContact SD-CD2 3.82Å; M176-Y180 HydrophobicContact SD-CE2 3.48Å; M176-Y180 WeakPolarHBondContact SD-CE2 3.18Å; A177-Y180 PolarHBondContact O-N 3.36Å; I178-Y180 PolarHBondContact O-N 3.17Å; Y180-N182 VanDerWaalsContact C-N 3.34Å; Y180-L183 HydrophobicContact CD1-CD2 4.45Å; Y180-L183 WeakPolarHBondContact O-CB 3.23Å; Y180-L183 PolarHBondContact O-N 3.09Å; Y180-L183 VanDerWaalsContact O-N 3.16Å; Y180-V184 VanDerWaalsContact O-CG2 3.28Å; Y180-V184 WeakPolarHBondContact O-CG2 3.38Å; Y180-V184 PolarHBondContact O-N 2.97Å
181W98.6Very high97.1Very high0 Ų047.2 Ų47.20%026%0.257CS..Hα-helixtrans-61-43.9172.5-81.3-41.3000111.7Y157 A177 I178 L183 V184 L185 L192 W195 L199 I207 W212 L215Y157-W181 AromaticContact CE2-CD1 3.96Å; Y157-W181 AromaticContact CZ-NE1 3.85Å; Y157-W181 PolarHBondContact OH-NE1 3.01Å; A177-W181 VanDerWaalsContact C-CE3 3.45Å; A177-W181 HydrophobicContact CB-CE3 3.9Å; A177-W181 HydrophobicContact CB-CH2 4.11Å; A177-W181 HydrophobicContact CB-CZ3 3.64Å; A177-W181 WeakPolarHBondContact O-CB 3.47Å; A177-W181 VanDerWaalsContact O-CE3 3.26Å; A177-W181 PolarHBondContact O-N 2.89Å; I178-W181 PolarHBondContact O-N 3.5Å; W181-L183 PolarHBondContact O-N 3.45Å; W181-V184 PolarHBondContact O-N 3.12Å; W181-L185 HydrophobicContact CB-CD1 4.47Å; W181-L185 HydrophobicContact CG-CD1 4.22Å; W181-L185 WeakPolarHBondContact O-CA 3.46Å; W181-L185 VanDerWaalsContact O-CB 3.29Å; W181-L185 WeakPolarHBondContact O-CB 3.43Å; W181-L185 PolarHBondContact O-N 2.9Å; W181-L192 HydrophobicContact CB-CD1 4.37Å; W181-W195 AromaticContact CD2-NE1 3.84Å; W181-W195 AromaticContact CE3-NE1 3.46Å; W181-W195 AromaticContact CH2-CZ2 3.85Å; W181-W195 HydrophobicContact CH2-CZ2 3.85Å; W181-W195 HydrophobicContact CZ2-CZ2 4.34Å; W181-W195 HydrophobicContact CZ3-CZ2 4.12Å; W181-W195 AromaticContact CZ3-NE1 3.58Å; W181-L199 HydrophobicContact CE3-CD1 3.94Å; W181-L199 HydrophobicContact CH2-CD1 4.44Å; W181-L199 HydrophobicContact CZ3-CD1 3.48Å; W181-L199 VanDerWaalsContact CZ3-CD1 3.48Å; W181-I207 HydrophobicContact CH2-CB 4.22Å; W181-I207 HydrophobicContact CH2-CD1 3.84Å; W181-I207 HydrophobicContact CH2-CG1 3.63Å; W181-I207 HydrophobicContact CH2-CG2 3.65Å; W181-I207 HydrophobicContact CZ2-CG2 3.94Å; W181-I207 HydrophobicContact CZ3-CD1 4.23Å; W181-I207 HydrophobicContact CZ3-CG1 3.97Å; W181-W212 AromaticContact CD1-CH2 3.52Å; W181-W212 AromaticContact CD1-CZ3 3.5Å; W181-W212 HydrophobicContact CD2-CE3 4.09Å; W181-W212 HydrophobicContact CD2-CH2 4.39Å; W181-W212 AromaticContact CD2-CZ3 3.68Å; W181-W212 HydrophobicContact CD2-CZ3 3.68Å; W181-W212 AromaticContact CE2-CE3 3.32Å; W181-W212 AromaticContact CE2-CZ3 3.39Å; W181-W212 HydrophobicContact CE3-CZ3 4.47Å; W181-W212 HydrophobicContact CG-CE3 4.48Å; W181-W212 HydrophobicContact CG-CH2 4.01Å; W181-W212 AromaticContact CG-CZ3 3.78Å; W181-W212 HydrophobicContact CG-CZ3 3.78Å; W181-W212 HydrophobicContact CH2-CE3 4.4Å; W181-W212 HydrophobicContact CZ2-CD2 4.3Å; W181-W212 AromaticContact CZ2-CE3 3.53Å; W181-W212 HydrophobicContact CZ2-CE3 3.53Å; W181-W212 HydrophobicContact CZ2-CZ3 4.02Å; W181-W212 AromaticContact NE1-CD2 3.64Å; W181-W212 AromaticContact NE1-CE2 4Å; W181-W212 AromaticContact NE1-CE3 3.25Å; W181-W212 AromaticContact NE1-CH2 3.62Å; W181-W212 AromaticContact NE1-CZ3 3.24Å; W181-L215 HydrophobicContact CD2-CD2 4.08Å; W181-L215 HydrophobicContact CG-CD2 4.36Å; W181-L215 HydrophobicContact CZ2-CD2 3.75Å
182N98.3Very high97.2Very high57 Ų5747.1 Ų47.131%0.30526%0.255SS..Hα-helixtrans-61.4-34.2174.4-75.4-36.5000112.5I178 A179 Y180 N186 N196I178-N182 WeakPolarHBondContact CG2-ND2 3.47Å; I178-N182 WeakPolarHBondContact O-CB 3.46Å; I178-N182 PolarHBondContact O-N 3.4Å; I178-N182 PolarHBondContact O-ND2 3.15Å; I178-N182 VanDerWaalsContact O-ND2 3.11Å; A179-N182 PolarHBondContact O-N 2.97Å; Y180-N182 VanDerWaalsContact C-N 3.34Å; N182-N186 WeakPolarHBondContact O-CB 3.49Å; N182-N196 PolarHBondContact ND2-ND2 3.4Å; N182-N196 PolarHBondContact OD1-ND2 3.12Å; N182-N196 PolarHBondContact OD1-OD1 2.87Å
183L98Very high97.2Very high52 Ų5253.4 Ų53.427%0.27229%0.288SS..Hα-helixtrans-71.3-45.5176.5-171.260.2000112.7A97 I99 L102 A179 Y180 W181A97-L183 WeakPolarHBondContact O-CD1 3.5Å; I99-L183 HydrophobicContact CB-CD1 4.01Å; I99-L183 HydrophobicContact CB-CG 4.21Å; I99-L183 HydrophobicContact CG1-CG 4.5Å; L102-L183 HydrophobicContact CB-CD2 4.43Å; L102-L183 HydrophobicContact CD2-CD2 3.92Å; A179-L183 PolarHBondContact O-N 3.4Å; Y180-L183 HydrophobicContact CD1-CD2 4.45Å; Y180-L183 WeakPolarHBondContact O-CB 3.23Å; Y180-L183 PolarHBondContact O-N 3.09Å; Y180-L183 VanDerWaalsContact O-N 3.16Å; W181-L183 PolarHBondContact O-N 3.45Å
184V98.3Very high97.3Very high2 Ų251.7 Ų51.71%0.01228%0.279CS..Hα-helixtrans-97.1-25.1-168.7-53.90000114.7L102 F153 F156 Y157 T160 Y180 W181L102-V184 HydrophobicContact CD2-CG1 3.59Å; F153-V184 WeakPolarHBondContact CZ-O 3.24Å; F156-V184 HydrophobicContact CE1-CB 4.19Å; F156-V184 HydrophobicContact CE1-CG1 3.81Å; F156-V184 HydrophobicContact CZ-CG1 4.11Å; Y157-V184 HydrophobicContact CD2-CG2 3.69Å; Y157-V184 HydrophobicContact CE2-CG2 3.92Å; T160-V184 HydrophobicContact CG2-CG1 4.27Å; Y180-V184 VanDerWaalsContact O-CG2 3.28Å; Y180-V184 WeakPolarHBondContact O-CG2 3.38Å; Y180-V184 PolarHBondContact O-N 2.97Å; W181-V184 PolarHBondContact O-N 3.12Å
185L98.2Very high97.4Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-103.6-5.2-177.2-62.2-177.1000113.8F153 Y157 W181 G187 R188 F189 L192 L215 L216F153-L185 HydrophobicContact CE1-CD2 4.37Å; F153-L185 HydrophobicContact CZ-CD2 4.29Å; Y157-L185 HydrophobicContact CD2-CD2 3.96Å; Y157-L185 HydrophobicContact CE2-CD1 4Å; Y157-L185 HydrophobicContact CE2-CD2 3.73Å; Y157-L185 HydrophobicContact CE2-CG 3.94Å; W181-L185 HydrophobicContact CB-CD1 4.47Å; W181-L185 HydrophobicContact CG-CD1 4.22Å; W181-L185 WeakPolarHBondContact O-CA 3.46Å; W181-L185 VanDerWaalsContact O-CB 3.29Å; W181-L185 WeakPolarHBondContact O-CB 3.43Å; W181-L185 PolarHBondContact O-N 2.9Å; L185-G187 PolarHBondContact O-N 2.84Å; L185-R188 WeakPolarHBondContact O-CA 3.43Å; L185-R188 PolarHBondContact O-N 3.26Å; L185-F189 HydrophobicContact CB-CB 3.91Å; L185-F189 HydrophobicContact CD1-CB 4.25Å; L185-F189 HydrophobicContact CD1-CD1 4.32Å; L185-F189 PolarHBondContact O-N 2.95Å; L185-L192 HydrophobicContact CB-CD1 4.35Å; L185-L192 HydrophobicContact CB-CD2 4.42Å; L185-L215 HydrophobicContact CD1-CD2 4.07Å; L185-L216 HydrophobicContact CD2-CD1 4.33Å
186N96.5Very high97.4Very high123 Ų12344.2 Ų44.266%0.65824%0.244SC*.THydrogen-bonded Turntrans-58.8130.4175.8-176.127.7000111N182 R188 L192N182-N186 WeakPolarHBondContact O-CB 3.49Å; N186-R188 PolarHBondContact O-N 3.19Å; N186-L192 HydrophobicContact CB-CD2 4.13Å
187G94.1Very high97.4Very high80 Ų8045.2 Ų45.283%0.82525%0.247SC*.THydrogen-bonded Turntrans71.11.3-17300000115.6L185L185-G187 PolarHBondContact O-N 2.84Å
188R95.6Very high97.3Very high124 Ų12445.5 Ų45.547%0.46825%0.248SC..THydrogen-bonded Turntrans-115.4-41.3178.2-64.5179.7177.8-99.38.7112.5L147 L185 N186L147-R188 PolarHBondContact O-NH2 3.26Å; L185-R188 WeakPolarHBondContact O-CA 3.43Å; L185-R188 PolarHBondContact O-N 3.26Å; N186-R188 PolarHBondContact O-N 3.19Å
189F97.7Very high97.3Very high6 Ų644.5 Ų44.53%0.02624%0.243CC..  trans-97.8105.2175-178.3-148.7000110.4L185 F191 L192 W195 L215 F218 S219 F242L185-F189 HydrophobicContact CB-CB 3.91Å; L185-F189 HydrophobicContact CD1-CB 4.25Å; L185-F189 HydrophobicContact CD1-CD1 4.32Å; L185-F189 PolarHBondContact O-N 2.95Å; F189-F191 HydrophobicContact CD2-CB 4.46Å; F189-F191 HydrophobicContact CE1-CB 4.49Å; F189-F191 HydrophobicContact CE2-CB 3.82Å; F189-F191 AromaticContact CE2-CD2 3.93Å; F189-F191 HydrophobicContact CE2-CD2 3.93Å; F189-F191 HydrophobicContact CE2-CG 4.35Å; F189-F191 HydrophobicContact CZ-CB 3.83Å; F189-F191 PolarHBondContact O-N 3.44Å; F189-F191 VanDerWaalsContact O-N 3.1Å; F189-L192 HydrophobicContact CB-CB 4.31Å; F189-L192 HydrophobicContact CD1-CB 4Å; F189-L192 HydrophobicContact CD1-CD1 4.19Å; F189-L192 HydrophobicContact CG-CB 4.43Å; F189-L192 VanDerWaalsContact O-CB 3.27Å; F189-L192 WeakPolarHBondContact O-CB 3.33Å; F189-L192 PolarHBondContact O-N 2.88Å; F189-L192 VanDerWaalsContact O-N 3.09Å; F189-W195 HydrophobicContact CE1-CB 3.68Å; F189-W195 HydrophobicContact CE1-CD2 4.42Å; F189-W195 AromaticContact CE1-CG 3.89Å; F189-W195 HydrophobicContact CE1-CG 3.89Å; F189-W195 HydrophobicContact CZ-CB 4.43Å; F189-L215 HydrophobicContact CE1-CD1 4.08Å; F189-L215 HydrophobicContact CZ-CD1 4.17Å; F189-F218 HydrophobicContact CE2-CD1 4.01Å; F189-F218 AromaticContact CE2-CE1 3.85Å; F189-F218 HydrophobicContact CE2-CE1 3.85Å; F189-F218 HydrophobicContact CZ-CD1 4.12Å; F189-F218 AromaticContact CZ-CE1 3.88Å; F189-F218 HydrophobicContact CZ-CE1 3.88Å; F189-S219 WeakPolarHBondContact CA-OG 3.19Å; F189-S219 WeakPolarHBondContact CB-OG 3.3Å; F189-S219 VanDerWaalsContact CD2-OG 3.23Å; F189-S219 WeakPolarHBondContact CD2-OG 3.43Å; F189-F242 HydrophobicContact CZ-CE1 4.1Å; F189-F242 HydrophobicContact CZ-CZ 4.38Å
190K96.3Very high97.1Very high100 Ų10047.5 Ų47.544%0.43525%0.25SS..THydrogen-bonded Turntrans-60.3-20.2-176.559-175.3165.4-160.80115.2I222 D224K190-I222 VanDerWaalsContact CE-O 3.24Å; K190-I222 WeakPolarHBondContact CE-O 3.42Å; K190-I222 PolarHBondContact NZ-O 2.91Å; K190-D224 WeakPolarHBondContact CD-OD1 3.45Å; K190-D224 WeakPolarHBondContact CE-OD1 3.35Å; K190-D224 IonicContact NZ-OD1 3.69Å; K190-D224 PolarHBondContact NZ-OD1 3.29Å
191F98Very high96.8Very high17 Ų1751.2 Ų51.28%0.07527%0.269CS..THydrogen-bonded Turntrans-108.619179-51.9-61.5000113.2F189 D193 L194 W195 I222 A223 D224 M226 F242 I250F189-F191 HydrophobicContact CD2-CB 4.46Å; F189-F191 HydrophobicContact CE1-CB 4.49Å; F189-F191 HydrophobicContact CE2-CB 3.82Å; F189-F191 AromaticContact CE2-CD2 3.93Å; F189-F191 HydrophobicContact CE2-CD2 3.93Å; F189-F191 HydrophobicContact CE2-CG 4.35Å; F189-F191 HydrophobicContact CZ-CB 3.83Å; F189-F191 PolarHBondContact O-N 3.44Å; F189-F191 VanDerWaalsContact O-N 3.1Å; F191-D193 VanDerWaalsContact C-N 3.32Å; F191-D193 PolarHBondContact O-N 3.14Å; F191-L194 HydrophobicContact CD1-CD1 4.41Å; F191-L194 PolarHBondContact O-N 2.73Å; F191-W195 WeakPolarHBondContact O-CB 3.43Å; F191-W195 PolarHBondContact O-N 3.07Å; F191-I222 HydrophobicContact CD2-CG2 4.13Å; F191-I222 HydrophobicContact CE2-CG1 4.22Å; F191-I222 HydrophobicContact CE2-CG2 3.8Å; F191-A223 WeakPolarHBondContact CE2-O 3.46Å; F191-A223 WeakPolarHBondContact CZ-O 3.27Å; F191-D224 WeakPolarHBondContact CZ-O 3.48Å; F191-M226 HydrophobicContact CB-CE 4.09Å; F191-M226 HydrophobicContact CD1-CE 3.93Å; F191-M226 HydrophobicContact CD2-CE 3.3Å; F191-M226 HydrophobicContact CE1-CE 4.12Å; F191-M226 HydrophobicContact CE2-CE 3.5Å; F191-M226 HydrophobicContact CE2-CG 3.83Å; F191-M226 HydrophobicContact CG-CE 3.51Å; F191-M226 HydrophobicContact CZ-CE 3.91Å; F191-M226 HydrophobicContact CZ-CG 3.95Å; F191-F242 HydrophobicContact CB-CE1 4.38Å; F191-F242 HydrophobicContact CB-CZ 3.86Å; F191-I250 HydrophobicContact CD1-CD1 4.17Å; F191-I250 HydrophobicContact CE1-CD1 3.6Å; F191-I250 HydrophobicContact CE1-CG1 4.3Å; F191-I250 HydrophobicContact CZ-CD1 4Å
192L98.1Very high96.3Very high7 Ų756.7 Ų56.74%0.03729%0.294CS..Hα-helixtrans-56.3-41.5-176.6-178.761.8000113.2W181 L185 N186 F189 W195 N196W181-L192 HydrophobicContact CB-CD1 4.37Å; L185-L192 HydrophobicContact CB-CD1 4.35Å; L185-L192 HydrophobicContact CB-CD2 4.42Å; N186-L192 HydrophobicContact CB-CD2 4.13Å; F189-L192 HydrophobicContact CB-CB 4.31Å; F189-L192 HydrophobicContact CD1-CB 4Å; F189-L192 HydrophobicContact CD1-CD1 4.19Å; F189-L192 HydrophobicContact CG-CB 4.43Å; F189-L192 VanDerWaalsContact O-CB 3.27Å; F189-L192 WeakPolarHBondContact O-CB 3.33Å; F189-L192 PolarHBondContact O-N 2.88Å; F189-L192 VanDerWaalsContact O-N 3.09Å; L192-W195 WeakPolarHBondContact O-CB 3.42Å; L192-W195 PolarHBondContact O-N 3.22Å; L192-N196 VanDerWaalsContact O-CG 3.29Å; L192-N196 PolarHBondContact O-N 2.6Å; L192-N196 PolarHBondContact O-ND2 2.93Å
193D97.3Very high95.9Very high133 Ų13355.4 Ų55.471%0.71129%0.286SS*.Hα-helixtrans-65.8-42.4178.7-66.7-27.9000112.2F191 W195 N196 K197F191-D193 VanDerWaalsContact C-N 3.32Å; F191-D193 PolarHBondContact O-N 3.14Å; D193-W195 VanDerWaalsContact C-N 3.32Å; D193-N196 PolarHBondContact O-N 3.09Å; D193-K197 PolarHBondContact O-N 3.1Å; D193-K197 VanDerWaalsContact O-N 3.07Å
194L97.3Very high95.2Very high39 Ų3961.4 Ų61.420%0.20431%0.31CS..Hα-helixtrans-66.2-37.5174.6-74.6175.7000111.4F191 K197 F198 F242 A246 Q249 I250F191-L194 HydrophobicContact CD1-CD1 4.41Å; F191-L194 PolarHBondContact O-N 2.73Å; L194-K197 PolarHBondContact O-N 3.48Å; L194-F198 WeakPolarHBondContact O-CB 3.49Å; L194-F198 PolarHBondContact O-N 2.89Å; L194-F242 HydrophobicContact CB-CE2 4.11Å; L194-F242 HydrophobicContact CB-CZ 4.35Å; L194-A246 HydrophobicContact CD1-CB 4.44Å; L194-Q249 HydrophobicContact CD2-CB 4.35Å; L194-I250 HydrophobicContact CD1-CG1 4.2Å
195W98.1Very high94.9Very high0 Ų070.6 Ų70.60%035%0.345CS..Hα-helixtrans-61.7-46.3175.3177-108.1000111.3W181 F189 F191 L192 D193 K197 F198 L199 L215 L238 F242W181-W195 AromaticContact CD2-NE1 3.84Å; W181-W195 AromaticContact CE3-NE1 3.46Å; W181-W195 AromaticContact CH2-CZ2 3.85Å; W181-W195 HydrophobicContact CH2-CZ2 3.85Å; W181-W195 HydrophobicContact CZ2-CZ2 4.34Å; W181-W195 HydrophobicContact CZ3-CZ2 4.12Å; W181-W195 AromaticContact CZ3-NE1 3.58Å; F189-W195 HydrophobicContact CE1-CB 3.68Å; F189-W195 HydrophobicContact CE1-CD2 4.42Å; F189-W195 AromaticContact CE1-CG 3.89Å; F189-W195 HydrophobicContact CE1-CG 3.89Å; F189-W195 HydrophobicContact CZ-CB 4.43Å; F191-W195 WeakPolarHBondContact O-CB 3.43Å; F191-W195 PolarHBondContact O-N 3.07Å; L192-W195 WeakPolarHBondContact O-CB 3.42Å; L192-W195 PolarHBondContact O-N 3.22Å; D193-W195 VanDerWaalsContact C-N 3.32Å; W195-K197 PolarHBondContact O-N 3.33Å; W195-F198 HydrophobicContact CE3-CD1 4.1Å; W195-F198 HydrophobicContact CZ3-CD1 4.04Å; W195-F198 HydrophobicContact CZ3-CE1 4.14Å; W195-F198 PolarHBondContact O-N 3.34Å; W195-L199 HydrophobicContact CD2-CD1 4.24Å; W195-L199 HydrophobicContact CD2-CG 4.27Å; W195-L199 HydrophobicContact CG-CD1 4.39Å; W195-L199 HydrophobicContact CH2-CD2 4.2Å; W195-L199 HydrophobicContact CZ2-CD1 3.94Å; W195-L199 HydrophobicContact CZ2-CD2 3.9Å; W195-L199 HydrophobicContact CZ2-CG 4.16Å; W195-L199 VanDerWaalsContact NE1-CD1 3.27Å; W195-L199 WeakPolarHBondContact O-CG 3.35Å; W195-L199 PolarHBondContact O-N 3.16Å; W195-L215 HydrophobicContact CD2-CD1 4.22Å; W195-L215 HydrophobicContact CD2-CD2 4.4Å; W195-L215 HydrophobicContact CE3-CD1 4.27Å; W195-L215 HydrophobicContact CH2-CD1 4.12Å; W195-L215 HydrophobicContact CZ2-CD1 4.07Å; W195-L215 HydrophobicContact CZ2-CD2 3.89Å; W195-L215 HydrophobicContact CZ3-CD1 4.22Å; W195-L238 HydrophobicContact CH2-CD2 3.85Å; W195-L238 HydrophobicContact CH2-CG 3.82Å; W195-L238 HydrophobicContact CZ2-CD2 4.22Å; W195-F242 HydrophobicContact CB-CE2 4.12Å; W195-F242 HydrophobicContact CB-CZ 4.2Å; W195-F242 HydrophobicContact CE3-CB 3.93Å; W195-F242 AromaticContact CE3-CD1 3.79Å; W195-F242 HydrophobicContact CE3-CD1 3.79Å; W195-F242 AromaticContact CE3-CD2 3.63Å; W195-F242 HydrophobicContact CE3-CD2 3.63Å; W195-F242 HydrophobicContact CE3-CE1 4.18Å; W195-F242 HydrophobicContact CE3-CE2 4.04Å; W195-F242 AromaticContact CE3-CG 3.48Å; W195-F242 HydrophobicContact CE3-CG 3.48Å; W195-F242 VanDerWaalsContact CE3-CG 3.48Å; W195-F242 HydrophobicContact CE3-CZ 4.28Å; W195-F242 HydrophobicContact CZ3-CB 3.6Å; W195-F242 HydrophobicContact CZ3-CD1 4.05Å; W195-F242 HydrophobicContact CZ3-CD2 4.21Å; W195-F242 AromaticContact CZ3-CG 3.68Å; W195-F242 HydrophobicContact CZ3-CG 3.68Å
196N96.4Very high94.8Very high21 Ų2173.9 Ų73.911%0.11237%0.367CS..Hα-helixtrans-59.3-46.5175.2-71-30.6000111.9N182 L192 D193 L199 L200N182-N196 PolarHBondContact ND2-ND2 3.4Å; N182-N196 PolarHBondContact OD1-ND2 3.12Å; N182-N196 PolarHBondContact OD1-OD1 2.87Å; L192-N196 VanDerWaalsContact O-CG 3.29Å; L192-N196 PolarHBondContact O-N 2.6Å; L192-N196 PolarHBondContact O-ND2 2.93Å; D193-N196 PolarHBondContact O-N 3.09Å; N196-L199 PolarHBondContact O-N 3.05Å; N196-L200 VanDerWaalsContact O-CG 3.31Å; N196-L200 WeakPolarHBondContact O-CG 3.35Å; N196-L200 PolarHBondContact O-N 3.01Å
197K96.1Very high94.9Very high86 Ų8668 Ų6837%0.37434%0.336SS..Hα-helixtrans-60-49.1177.7-175.9-175.5171.4-169.30111.4D193 L194 W195 L199 L200 E201 F245D193-K197 PolarHBondContact O-N 3.1Å; D193-K197 VanDerWaalsContact O-N 3.07Å; L194-K197 PolarHBondContact O-N 3.48Å; W195-K197 PolarHBondContact O-N 3.33Å; K197-L199 VanDerWaalsContact C-N 3.34Å; K197-L199 PolarHBondContact O-N 3.38Å; K197-L200 PolarHBondContact O-N 2.84Å; K197-E201 WeakPolarHBondContact CE-OE1 3.19Å; K197-E201 HydrophobicContact CG-CG 4.49Å; K197-E201 WeakPolarHBondContact CG-OE1 3.38Å; K197-E201 WeakPolarHBondContact O-CB 3.41Å; K197-E201 WeakPolarHBondContact O-CG 3.48Å; K197-E201 PolarHBondContact O-N 3.47Å; K197-F245 HydrophobicContact CD-CZ 4.05Å; K197-F245 HydrophobicContact CG-CZ 4.11Å
198F97.1Very high95Very high6 Ų667.1 Ų67.13%0.02632%0.316CS..Hα-helixtrans-55.4-49.5176.9167.8-109.5000111.5L194 W195 L200 E201 H202 L238 D241 F242 F245L194-F198 WeakPolarHBondContact O-CB 3.49Å; L194-F198 PolarHBondContact O-N 2.89Å; W195-F198 HydrophobicContact CE3-CD1 4.1Å; W195-F198 HydrophobicContact CZ3-CD1 4.04Å; W195-F198 HydrophobicContact CZ3-CE1 4.14Å; W195-F198 PolarHBondContact O-N 3.34Å; F198-L200 PolarHBondContact O-N 3.32Å; F198-E201 PolarHBondContact O-N 2.9Å; F198-H202 HydrophobicContact CD2-CB 3.87Å; F198-H202 AromaticContact CD2-CD2 3.97Å; F198-H202 HydrophobicContact CE2-CB 3.67Å; F198-H202 HydrophobicContact CZ-CB 4.4Å; F198-H202 WeakPolarHBondContact O-CA 3.46Å; F198-H202 WeakPolarHBondContact O-CB 3.24Å; F198-H202 PolarHBondContact O-N 3.41Å; F198-L238 HydrophobicContact CE1-CD1 3.54Å; F198-L238 HydrophobicContact CE1-CG 4.08Å; F198-L238 WeakPolarHBondContact CE1-O 3.49Å; F198-L238 HydrophobicContact CZ-CD1 3.88Å; F198-D241 HydrophobicContact CE2-CB 4.04Å; F198-D241 HydrophobicContact CZ-CB 3.64Å; F198-F242 HydrophobicContact CB-CD2 3.78Å; F198-F242 HydrophobicContact CB-CE2 4.3Å; F198-F242 HydrophobicContact CD1-CB 3.8Å; F198-F242 AromaticContact CD1-CD2 3.84Å; F198-F242 HydrophobicContact CD1-CD2 3.84Å; F198-F242 HydrophobicContact CD1-CG 4.25Å; F198-F242 HydrophobicContact CE1-CB 3.73Å; F198-F242 HydrophobicContact CG-CB 4.27Å; F198-F242 AromaticContact CG-CD2 3.8Å; F198-F242 HydrophobicContact CG-CD2 3.8Å; F198-F242 HydrophobicContact CZ-CB 4.14Å; F198-F245 HydrophobicContact CB-CD1 3.64Å; F198-F245 HydrophobicContact CB-CE1 3.64Å; F198-F245 HydrophobicContact CB-CG 4.3Å; F198-F245 HydrophobicContact CB-CZ 4.3Å; F198-F245 HydrophobicContact CD2-CB 3.77Å; F198-F245 AromaticContact CD2-CD1 3.94Å; F198-F245 HydrophobicContact CD2-CD1 3.94Å; F198-F245 HydrophobicContact CD2-CD2 4.23Å; F198-F245 AromaticContact CD2-CG 3.73Å; F198-F245 HydrophobicContact CD2-CG 3.73Å; F198-F245 HydrophobicContact CE2-CB 4.23Å; F198-F245 HydrophobicContact CG-CD1 4.17Å; F198-F245 HydrophobicContact CG-CG 4.42Å
199L96.6Very high95.1Very high0 Ų065.5 Ų65.50%031%0.312CS..Hα-helixtrans-61.4-45.5-179.7-71.1179.7000111.6L174 I178 W181 W195 N196 K197 E201 H203 L238L174-L199 HydrophobicContact CD1-CB 4.31Å; L174-L199 HydrophobicContact CD1-CD1 4.09Å; L174-L199 HydrophobicContact CD1-CD2 4.24Å; L174-L199 HydrophobicContact CD1-CG 4.46Å; I178-L199 HydrophobicContact CD1-CB 4.03Å; I178-L199 HydrophobicContact CD1-CD1 4.23Å; I178-L199 HydrophobicContact CG1-CB 4.44Å; I178-L199 HydrophobicContact CG1-CD1 3.75Å; W181-L199 HydrophobicContact CE3-CD1 3.94Å; W181-L199 HydrophobicContact CH2-CD1 4.44Å; W181-L199 HydrophobicContact CZ3-CD1 3.48Å; W181-L199 VanDerWaalsContact CZ3-CD1 3.48Å; W195-L199 HydrophobicContact CD2-CD1 4.24Å; W195-L199 HydrophobicContact CD2-CG 4.27Å; W195-L199 HydrophobicContact CG-CD1 4.39Å; W195-L199 HydrophobicContact CH2-CD2 4.2Å; W195-L199 HydrophobicContact CZ2-CD1 3.94Å; W195-L199 HydrophobicContact CZ2-CD2 3.9Å; W195-L199 HydrophobicContact CZ2-CG 4.16Å; W195-L199 VanDerWaalsContact NE1-CD1 3.27Å; W195-L199 WeakPolarHBondContact O-CG 3.35Å; W195-L199 PolarHBondContact O-N 3.16Å; N196-L199 PolarHBondContact O-N 3.05Å; K197-L199 VanDerWaalsContact C-N 3.34Å; K197-L199 PolarHBondContact O-N 3.38Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.78Å; L199-H203 HydrophobicContact CB-CB 4.49Å; L199-H203 HydrophobicContact CD2-CB 3.7Å; L199-H203 CarbonylContact O-C 3.59Å; L199-H203 WeakPolarHBondContact O-CA 3.45Å; L199-H203 PolarHBondContact O-N 3.45Å; L199-L238 HydrophobicContact CD2-CD1 4.22Å; L199-L238 HydrophobicContact CD2-CD2 3.95Å; L199-L238 HydrophobicContact CD2-CG 4.38Å
200L93.2Very high95.1Very high118 Ų11869.9 Ų69.962%0.61834%0.336SS*.Hα-helixtrans-66.1-34-179.2-68.5171.3000113.3I178 N196 K197 F198I178-L200 HydrophobicContact CD1-CD2 4.02Å; I178-L200 HydrophobicContact CD1-CG 4.34Å; N196-L200 VanDerWaalsContact O-CG 3.31Å; N196-L200 WeakPolarHBondContact O-CG 3.35Å; N196-L200 PolarHBondContact O-N 3.01Å; K197-L200 PolarHBondContact O-N 2.84Å; F198-L200 PolarHBondContact O-N 3.32Å
201E92.9Very high95.2Very high104 Ų10465.7 Ų65.749%0.48632%0.319SS..Hα-helixtrans-85.3-39.3-177.8-70.1176.1-173.200112.5K197 F198 L199K197-E201 WeakPolarHBondContact CE-OE1 3.19Å; K197-E201 HydrophobicContact CG-CG 4.49Å; K197-E201 WeakPolarHBondContact CG-OE1 3.38Å; K197-E201 WeakPolarHBondContact O-CB 3.41Å; K197-E201 WeakPolarHBondContact O-CG 3.48Å; K197-E201 PolarHBondContact O-N 3.47Å; F198-E201 PolarHBondContact O-N 2.9Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.78Å
202H88.9Confident95.3Very high116 Ų11664.9 Ų64.954%0.53732%0.315SS..Hα-helixtrans-120.3-15.2-164.9-63.5-81.7000114.7F198 F245F198-H202 HydrophobicContact CD2-CB 3.87Å; F198-H202 AromaticContact CD2-CD2 3.97Å; F198-H202 HydrophobicContact CE2-CB 3.67Å; F198-H202 HydrophobicContact CZ-CB 4.4Å; F198-H202 WeakPolarHBondContact O-CA 3.46Å; F198-H202 WeakPolarHBondContact O-CB 3.24Å; F198-H202 PolarHBondContact O-N 3.41Å; H202-F245 AromaticContact CD2-CD2 3.76Å; H202-F245 AromaticContact CD2-CE2 3.71Å; H202-F245 AromaticContact NE2-CD2 3.57Å; H202-F245 AromaticContact NE2-CE2 3.48Å; H202-F245 WeakPolarHBondContact NE2-CE2 3.34Å
203H89.2Confident95.3Very high30 Ų3065.9 Ų65.914%0.13932%0.32CS..  trans-118.7133.6178.8-16168000112L174 L199 R205 L238L174-H203 HydrophobicContact CD2-CB 4.43Å; L174-H203 WeakPolarHBondContact CD2-O 3.45Å; L199-H203 HydrophobicContact CB-CB 4.49Å; L199-H203 HydrophobicContact CD2-CB 3.7Å; L199-H203 CarbonylContact O-C 3.59Å; L199-H203 WeakPolarHBondContact O-CA 3.45Å; L199-H203 PolarHBondContact O-N 3.45Å; H203-R205 PolarHBondContact CD2-O 3.07Å; H203-R205 PolarHBondContact NE2-O 3.31Å; H203-R205 VanDerWaalsContact NE2-O 3.11Å; H203-L238 HydrophobicContact CB-CD1 4.02Å; H203-L238 VanDerWaalsContact ND1-CD1 3.27Å; H203-L238 WeakPolarHBondContact ND1-CD1 3.44Å
204K83.8Confident95.3Very high178 Ų17861.2 Ų61.277%0.77430%0.295SS*.  trans-138.827.5179.6-61.3-172.3-178.5-176.80112.4
205R92.4Very high95.4Very high195 Ų19559.3 Ų59.374%0.73629%0.286SS*.SBendtrans-124.8164.8-175-56.2-174.7-168.3176.86.2110.3H203H203-R205 PolarHBondContact CD2-O 3.07Å; H203-R205 PolarHBondContact NE2-O 3.31Å; H203-R205 VanDerWaalsContact NE2-O 3.11Å
206S95.5Very high95.4Very high68 Ų6859.9 Ų59.948%0.47629%0.289SS..PPolyproline II helixtrans-68.2148.5174.955.20000111.6L172L172-S206 CarbonylContact O-C 3.37Å; L172-S206 WeakPolarHBondContact O-CA 3.42Å; L172-S206 VanDerWaalsContact O-CB 3.23Å; L172-S206 WeakPolarHBondContact O-CB 3.13Å
207I98Very high95.5Very high0 Ų061 Ų610%030%0.295CS..EExtended strand (participates in β ladder)trans-89.2119.8-179.7-57.3-57.1000109.2F161 G171 L172 L174 A177 W181 T211 W212 L238F161-I207 WeakPolarHBondContact CE2-O 3.32Å; G171-I207 CarbonylContact C-O 3.55Å; G171-I207 VanDerWaalsContact CA-O 3.26Å; G171-I207 WeakPolarHBondContact CA-O 3.49Å; L172-I207 PolarHBondContact N-O 3.37Å; L172-I207 PolarHBondContact O-N 2.49Å; L174-I207 HydrophobicContact CD1-CD1 3.96Å; L174-I207 HydrophobicContact CD1-CG1 4.15Å; A177-I207 HydrophobicContact CB-CB 4.18Å; A177-I207 HydrophobicContact CB-CG1 3.64Å; W181-I207 HydrophobicContact CH2-CB 4.22Å; W181-I207 HydrophobicContact CH2-CD1 3.84Å; W181-I207 HydrophobicContact CH2-CG1 3.63Å; W181-I207 HydrophobicContact CH2-CG2 3.65Å; W181-I207 HydrophobicContact CZ2-CG2 3.94Å; W181-I207 HydrophobicContact CZ3-CD1 4.23Å; W181-I207 HydrophobicContact CZ3-CG1 3.97Å; I207-T211 HydrophobicContact CG2-CG2 4.4Å; I207-W212 HydrophobicContact CG2-CB 4.2Å; I207-L238 HydrophobicContact CD1-CD2 3.78Å
208P97.5Very high95.5Very high62 Ų6257 Ų5740%0.40328%0.277SS..EExtended strand (participates in β ladder)trans-75.4157.2172.931.9-33.8000110.9D210 T211 W212P208-D210 PolarHBondContact O-N 3.39Å; P208-T211 VanDerWaalsContact CG-OG1 3.28Å; P208-T211 WeakPolarHBondContact CG-OG1 3.28Å; P208-T211 PolarHBondContact O-N 2.79Å; P208-W212 PolarHBondContact O-N 3.43Å
209K97.6Very high95.6Very high89 Ų8957.4 Ų57.439%0.38728%0.28SS..Hα-helixtrans-55.7-38-178-172.8167.6-178.4164.30113.2F161 N162 W212 N213F161-K209 HydrophobicContact CD1-CB 3.96Å; F161-K209 HydrophobicContact CD1-CD 4.08Å; F161-K209 HydrophobicContact CD1-CG 3.79Å; F161-K209 HydrophobicContact CE1-CB 3.49Å; F161-K209 VanDerWaalsContact CE1-CB 3.49Å; F161-K209 HydrophobicContact CE1-CD 4.17Å; F161-K209 HydrophobicContact CE1-CG 3.86Å; F161-K209 HydrophobicContact CE2-CB 4.41Å; F161-K209 HydrophobicContact CG-CG 4.39Å; F161-K209 VanDerWaalsContact CZ-CA 3.46Å; F161-K209 HydrophobicContact CZ-CB 3.75Å; F161-K209 HydrophobicContact CZ-CG 4.48Å; F161-K209 VanDerWaalsContact CZ-N 3.34Å; N162-K209 PolarHBondContact ND2-NZ 3.07Å; N162-K209 PolarHBondContact OD1-NZ 3.43Å; K209-W212 PolarHBondContact O-N 3.22Å; K209-N213 WeakPolarHBondContact O-CB 3.26Å; K209-N213 PolarHBondContact O-N 2.84Å; K209-N213 PolarHBondContact O-OD1 3.35Å
210D97.7Very high95.5Very high99 Ų9962.8 Ų62.853%0.52931%0.313SS..Hα-helixtrans-63.8-49.7-179.7-171.966.6000111.8P208 W212 N213 L214P208-D210 PolarHBondContact O-N 3.39Å; D210-W212 VanDerWaalsContact C-N 3.34Å; D210-W212 PolarHBondContact O-N 3.2Å; D210-N213 PolarHBondContact O-N 2.73Å; D210-N213 VanDerWaalsContact O-N 3.15Å; D210-L214 WeakPolarHBondContact O-CB 3.17Å; D210-L214 WeakPolarHBondContact O-CG 3.39Å; D210-L214 PolarHBondContact O-N 3.41Å; D210-L214 WeakPolarHBondContact OD2-CD1 3.27Å
211T98.1Very high95.6Very high11 Ų1161.4 Ų61.47%0.06731%0.305CS..Hα-helixtrans-60-41.5174.5-55.50000112.6I207 P208 L215 P236 L238I207-T211 HydrophobicContact CG2-CG2 4.4Å; P208-T211 VanDerWaalsContact CG-OG1 3.28Å; P208-T211 WeakPolarHBondContact CG-OG1 3.28Å; P208-T211 PolarHBondContact O-N 2.79Å; T211-L215 PolarHBondContact O-N 3.21Å; T211-P236 HydrophobicContact CG2-CB 4.09Å; T211-P236 HydrophobicContact CG2-CG 4.28Å; T211-P236 WeakPolarHBondContact OG1-CB 3.21Å; T211-L238 HydrophobicContact CG2-CB 4.21Å; T211-L238 HydrophobicContact CG2-CD2 3.81Å
212W98.6Very high95.8Very high0 Ų056.7 Ų56.70%028%0.283CS..Hα-helixtrans-56.1-52.9172.9178-83.5000110.9Y157 T160 F161 L172 A177 W181 I207 P208 K209 D210 L214 L215Y157-W212 AromaticContact CD1-NE1 3.65Å; Y157-W212 HydrophobicContact CD2-CZ2 4.26Å; Y157-W212 AromaticContact CE1-CD1 3.47Å; Y157-W212 VanDerWaalsContact CE1-CD1 3.47Å; Y157-W212 HydrophobicContact CE1-CG 4.28Å; Y157-W212 AromaticContact CE1-NE1 3.32Å; Y157-W212 VanDerWaalsContact CE1-NE1 3.32Å; Y157-W212 WeakPolarHBondContact CE1-O 3.21Å; Y157-W212 AromaticContact CE2-CE2 3.85Å; Y157-W212 AromaticContact CE2-CZ2 3.83Å; Y157-W212 HydrophobicContact CE2-CZ2 3.83Å; Y157-W212 AromaticContact CE2-NE1 3.83Å; Y157-W212 AromaticContact CZ-CD1 3.79Å; Y157-W212 AromaticContact CZ-CE2 3.67Å; Y157-W212 AromaticContact CZ-NE1 3.41Å; Y157-W212 VanDerWaalsContact CZ-O 3.28Å; Y157-W212 PolarHBondContact O-NE1 3.44Å; Y157-W212 PolarHBondContact OH-O 3.4Å; T160-W212 HydrophobicContact CG2-CH2 4.28Å; T160-W212 HydrophobicContact CG2-CZ2 3.96Å; F161-W212 HydrophobicContact CB-CD2 4.06Å; F161-W212 HydrophobicContact CB-CG 3.88Å; F161-W212 HydrophobicContact CD2-CB 3.56Å; F161-W212 AromaticContact CD2-CD2 3.84Å; F161-W212 HydrophobicContact CD2-CD2 3.84Å; F161-W212 HydrophobicContact CD2-CE3 4.14Å; F161-W212 AromaticContact CD2-CG 3.58Å; F161-W212 HydrophobicContact CD2-CG 3.58Å; F161-W212 HydrophobicContact CE2-CB 4.08Å; F161-W212 HydrophobicContact CG-CB 4.31Å; F161-W212 HydrophobicContact CG-CD2 4.45Å; F161-W212 HydrophobicContact CG-CG 4.09Å; L172-W212 HydrophobicContact CD2-CE3 4.06Å; L172-W212 HydrophobicContact CD2-CZ3 3.88Å; A177-W212 HydrophobicContact CB-CE3 4.5Å; A177-W212 HydrophobicContact CB-CZ3 4.19Å; W181-W212 AromaticContact CD1-CH2 3.52Å; W181-W212 AromaticContact CD1-CZ3 3.5Å; W181-W212 HydrophobicContact CD2-CE3 4.09Å; W181-W212 HydrophobicContact CD2-CH2 4.39Å; W181-W212 AromaticContact CD2-CZ3 3.68Å; W181-W212 HydrophobicContact CD2-CZ3 3.68Å; W181-W212 AromaticContact CE2-CE3 3.32Å; W181-W212 AromaticContact CE2-CZ3 3.39Å; W181-W212 HydrophobicContact CE3-CZ3 4.47Å; W181-W212 HydrophobicContact CG-CE3 4.48Å; W181-W212 HydrophobicContact CG-CH2 4.01Å; W181-W212 AromaticContact CG-CZ3 3.78Å; W181-W212 HydrophobicContact CG-CZ3 3.78Å; W181-W212 HydrophobicContact CH2-CE3 4.4Å; W181-W212 HydrophobicContact CZ2-CD2 4.3Å; W181-W212 AromaticContact CZ2-CE3 3.53Å; W181-W212 HydrophobicContact CZ2-CE3 3.53Å; W181-W212 HydrophobicContact CZ2-CZ3 4.02Å; W181-W212 AromaticContact NE1-CD2 3.64Å; W181-W212 AromaticContact NE1-CE2 4Å; W181-W212 AromaticContact NE1-CE3 3.25Å; W181-W212 AromaticContact NE1-CH2 3.62Å; W181-W212 AromaticContact NE1-CZ3 3.24Å; I207-W212 HydrophobicContact CG2-CB 4.2Å; P208-W212 PolarHBondContact O-N 3.43Å; K209-W212 PolarHBondContact O-N 3.22Å; D210-W212 VanDerWaalsContact C-N 3.34Å; D210-W212 PolarHBondContact O-N 3.2Å; W212-L214 PolarHBondContact O-N 3.14Å; W212-L215 PolarHBondContact O-N 3.28Å
213N98.3Very high96.1Very high28 Ų2852.5 Ų52.515%0.1527%0.268CS..Hα-helixtrans-62-46.6-177.1-69.8-9.3000112.5Q158 K209 D210 L215 L216Q158-N213 WeakPolarHBondContact CG-OD1 3.49Å; K209-N213 WeakPolarHBondContact O-CB 3.26Å; K209-N213 PolarHBondContact O-N 2.84Å; K209-N213 PolarHBondContact O-OD1 3.35Å; D210-N213 PolarHBondContact O-N 2.73Å; D210-N213 VanDerWaalsContact O-N 3.15Å; N213-L215 VanDerWaalsContact C-N 3.27Å; N213-L215 PolarHBondContact O-N 3.33Å; N213-L216 PolarHBondContact O-N 3.31Å
214L98.3Very high96.4Very high35 Ų3556.8 Ų56.818%0.18329%0.292CS..Hα-helixtrans-69.4-23.1-175.6-72.9176.9000113D210 W212 L216 D217 F218 W235 P236 I239D210-L214 WeakPolarHBondContact O-CB 3.17Å; D210-L214 WeakPolarHBondContact O-CG 3.39Å; D210-L214 PolarHBondContact O-N 3.41Å; D210-L214 WeakPolarHBondContact OD2-CD1 3.27Å; W212-L214 PolarHBondContact O-N 3.14Å; L214-L216 VanDerWaalsContact C-N 3.27Å; L214-L216 PolarHBondContact O-N 3.28Å; L214-D217 PolarHBondContact O-N 3.34Å; L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 3.48Å; L214-W235 HydrophobicContact CB-CE3 4.15Å; L214-W235 HydrophobicContact CB-CZ3 3.91Å; L214-W235 HydrophobicContact CD2-CZ3 3.95Å; L214-W235 HydrophobicContact CG-CZ3 4.41Å; L214-P236 HydrophobicContact CB-CG 4.04Å; L214-P236 HydrophobicContact CD1-CG 3.75Å; L214-I239 HydrophobicContact CB-CD1 4.34Å
215L98.6Very high96.8Very high0 Ų051 Ų510%027%0.27CS..Hα-helixtrans-61.7-34.2173.3-173.967000112.6W181 L185 F189 W195 T211 W212 N213 F218 S219 I239W181-L215 HydrophobicContact CD2-CD2 4.08Å; W181-L215 HydrophobicContact CG-CD2 4.36Å; W181-L215 HydrophobicContact CZ2-CD2 3.75Å; L185-L215 HydrophobicContact CD1-CD2 4.07Å; F189-L215 HydrophobicContact CE1-CD1 4.08Å; F189-L215 HydrophobicContact CZ-CD1 4.17Å; W195-L215 HydrophobicContact CD2-CD1 4.22Å; W195-L215 HydrophobicContact CD2-CD2 4.4Å; W195-L215 HydrophobicContact CE3-CD1 4.27Å; W195-L215 HydrophobicContact CH2-CD1 4.12Å; W195-L215 HydrophobicContact CZ2-CD1 4.07Å; W195-L215 HydrophobicContact CZ2-CD2 3.89Å; W195-L215 HydrophobicContact CZ3-CD1 4.22Å; T211-L215 PolarHBondContact O-N 3.21Å; W212-L215 PolarHBondContact O-N 3.28Å; N213-L215 VanDerWaalsContact C-N 3.27Å; N213-L215 PolarHBondContact O-N 3.33Å; L215-F218 HydrophobicContact CD1-CD1 4.23Å; L215-S219 WeakPolarHBondContact O-CB 3.4Å; L215-S219 PolarHBondContact O-N 3.1Å; L215-I239 HydrophobicContact CB-CD1 4.49Å; L215-I239 HydrophobicContact CD1-CD1 4.42Å
216L98.5Very high97Very high12 Ų1241.8 Ų41.86%0.06324%0.235CC..Hα-helixtrans-69-41.5176.2177.261.6000111.6F153 K154 Y157 L185 N213 L214 S219 T220F153-L216 HydrophobicContact CD1-CD1 4.18Å; F153-L216 HydrophobicContact CD1-CD2 4.35Å; F153-L216 HydrophobicContact CE1-CD1 3.74Å; F153-L216 HydrophobicContact CE1-CD2 4.42Å; K154-L216 HydrophobicContact CB-CD2 4.05Å; K154-L216 HydrophobicContact CG-CD2 4.05Å; Y157-L216 HydrophobicContact CD1-CB 3.76Å; Y157-L216 HydrophobicContact CD1-CD2 3.65Å; Y157-L216 HydrophobicContact CD1-CG 4.28Å; Y157-L216 HydrophobicContact CE1-CB 3.54Å; Y157-L216 HydrophobicContact CE1-CD2 4.33Å; Y157-L216 HydrophobicContact CG-CB 4.39Å; Y157-L216 HydrophobicContact CG-CD2 3.87Å; L185-L216 HydrophobicContact CD2-CD1 4.33Å; N213-L216 PolarHBondContact O-N 3.31Å; L214-L216 VanDerWaalsContact C-N 3.27Å; L214-L216 PolarHBondContact O-N 3.28Å; L216-S219 PolarHBondContact O-N 3.44Å; L216-T220 PolarHBondContact O-N 3.48Å; L216-T220 VanDerWaalsContact O-N 3.11Å; L216-T220 PolarHBondContact O-OG1 3.39Å
217D97.6Very high97Very high45 Ų4542.6 Ų42.624%0.24124%0.241CC..Hα-helixtrans-64.3-46.4177.2-67.1-31.9000109.3K154 L214 S219 T220 M221 W235K154-D217 IonicContact NZ-OD1 3.59Å; K154-D217 PolarHBondContact NZ-OD1 3.06Å; K154-D217 IonicContact NZ-OD2 2.88Å; K154-D217 PolarHBondContact NZ-OD2 3.31Å; L214-D217 PolarHBondContact O-N 3.34Å; D217-S219 PolarHBondContact O-N 3.28Å; D217-T220 PolarHBondContact O-N 3.33Å; D217-T220 VanDerWaalsContact O-N 3.09Å; D217-M221 HydrophobicContact CB-CE 3.95Å; D217-M221 WeakPolarHBondContact O-CE 3.32Å; D217-M221 WeakPolarHBondContact O-CG 3.3Å; D217-M221 PolarHBondContact O-N 3.18Å; D217-M221 VanDerWaalsContact O-N 3.13Å; D217-W235 HydrophobicContact CB-CH2 4.25Å; D217-W235 HydrophobicContact CB-CZ3 4.44Å
218F98.1Very high96.9Very high1 Ų146.7 Ų46.70%0.00426%0.263CS..Hα-helixtrans-53.7-51.4172.3173.6-95.4000111.8F189 L214 L215 T220 M221 I222 M226 Y229 W235 I239 F242 V243F189-F218 HydrophobicContact CE2-CD1 4.01Å; F189-F218 AromaticContact CE2-CE1 3.85Å; F189-F218 HydrophobicContact CE2-CE1 3.85Å; F189-F218 HydrophobicContact CZ-CD1 4.12Å; F189-F218 AromaticContact CZ-CE1 3.88Å; F189-F218 HydrophobicContact CZ-CE1 3.88Å; L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 3.48Å; L215-F218 HydrophobicContact CD1-CD1 4.23Å; F218-T220 PolarHBondContact O-N 3.06Å; F218-T220 VanDerWaalsContact O-N 3.11Å; F218-M221 PolarHBondContact O-N 3.07Å; F218-I222 HydrophobicContact CD1-CG2 4.31Å; F218-I222 HydrophobicContact CD2-CB 4.33Å; F218-I222 HydrophobicContact CD2-CD1 4.38Å; F218-I222 HydrophobicContact CE1-CB 4.28Å; F218-I222 HydrophobicContact CE1-CG1 4.29Å; F218-I222 HydrophobicContact CE1-CG2 4.01Å; F218-I222 HydrophobicContact CE2-CB 4.05Å; F218-I222 HydrophobicContact CE2-CD1 3.61Å; F218-I222 HydrophobicContact CE2-CG1 3.76Å; F218-I222 HydrophobicContact CZ-CB 4.03Å; F218-I222 HydrophobicContact CZ-CD1 3.96Å; F218-I222 HydrophobicContact CZ-CG1 3.63Å; F218-I222 HydrophobicContact CZ-CG2 4.21Å; F218-I222 VanDerWaalsContact O-CB 3.26Å; F218-I222 WeakPolarHBondContact O-CB 3.39Å; F218-I222 WeakPolarHBondContact O-CG2 3.34Å; F218-I222 PolarHBondContact O-N 3.42Å; F218-M226 HydrophobicContact CZ-CE 4.47Å; F218-Y229 HydrophobicContact CD2-CD2 4.13Å; F218-Y229 AromaticContact CD2-CE2 3.92Å; F218-Y229 HydrophobicContact CD2-CE2 3.92Å; F218-Y229 AromaticContact CE2-CD2 3.67Å; F218-Y229 HydrophobicContact CE2-CD2 3.67Å; F218-Y229 AromaticContact CE2-CE2 3.71Å; F218-Y229 HydrophobicContact CE2-CE2 3.71Å; F218-W235 HydrophobicContact CB-CZ3 4.24Å; F218-I239 HydrophobicContact CB-CD1 4.17Å; F218-I239 HydrophobicContact CB-CG2 4.43Å; F218-I239 HydrophobicContact CD1-CG2 4.48Å; F218-I239 HydrophobicContact CD2-CG2 3.48Å; F218-I239 VanDerWaalsContact CD2-CG2 3.48Å; F218-I239 HydrophobicContact CE2-CG2 3.73Å; F218-I239 HydrophobicContact CG-CG2 3.88Å; F218-I239 HydrophobicContact CZ-CG2 4.35Å; F218-F242 HydrophobicContact CE1-CD1 4.12Å; F218-F242 AromaticContact CE1-CE1 3.82Å; F218-F242 HydrophobicContact CE1-CE1 3.82Å; F218-F242 HydrophobicContact CZ-CD1 4.1Å; F218-F242 HydrophobicContact CZ-CE1 4.02Å; F218-V243 HydrophobicContact CE2-CG2 3.66Å; F218-V243 HydrophobicContact CZ-CG2 3.78Å
219S97.4Very high96.9Very high14 Ų1444.8 Ų44.810%0.09825%0.248CC..Hα-helixtrans-56.4-29.9178.6177.90000113.1F189 L215 L216 D217F189-S219 WeakPolarHBondContact CA-OG 3.19Å; F189-S219 WeakPolarHBondContact CB-OG 3.3Å; F189-S219 VanDerWaalsContact CD2-OG 3.23Å; F189-S219 WeakPolarHBondContact CD2-OG 3.43Å; L215-S219 WeakPolarHBondContact O-CB 3.4Å; L215-S219 PolarHBondContact O-N 3.1Å; L216-S219 PolarHBondContact O-N 3.44Å; D217-S219 PolarHBondContact O-N 3.28Å
220T95.4Very high96.7Very high113 Ų11344.8 Ų44.869%0.69325%0.252SS*.Hα-helixtrans-83.4-34.3-177-54.80000112L216 D217 F218L216-T220 PolarHBondContact O-N 3.48Å; L216-T220 VanDerWaalsContact O-N 3.11Å; L216-T220 PolarHBondContact O-OG1 3.39Å; D217-T220 PolarHBondContact O-N 3.33Å; D217-T220 VanDerWaalsContact O-N 3.09Å; F218-T220 PolarHBondContact O-N 3.06Å; F218-T220 VanDerWaalsContact O-N 3.11Å
221M95.3Very high96.5Very high90 Ų9045.7 Ų45.744%0.44325%0.253SS..Hα-helixtrans-96.7-26.7-17472.5-178.680.300114.6D217 F218 N228 W235D217-M221 HydrophobicContact CB-CE 3.95Å; D217-M221 WeakPolarHBondContact O-CE 3.32Å; D217-M221 WeakPolarHBondContact O-CG 3.3Å; D217-M221 PolarHBondContact O-N 3.18Å; D217-M221 VanDerWaalsContact O-N 3.13Å; F218-M221 PolarHBondContact O-N 3.07Å; M221-N228 PolarHBondContact O-ND2 2.83Å; M221-W235 HydrophobicContact CE-CH2 3.12Å; M221-W235 HydrophobicContact CE-CZ2 3.35Å; M221-W235 HydrophobicContact CE-CZ3 4.3Å; M221-W235 HydrophobicContact SD-CH2 3.81Å; M221-W235 HydrophobicContact SD-CZ2 3.36Å; M221-W235 WeakPolarHBondContact SD-CZ2 3.23Å
222I97.3Very high96.2Very high5 Ų553.8 Ų53.83%0.02629%0.29CS..  trans-68.4137.1-169.7-165.266.5000111.1K190 F191 F218 M226 Y229K190-I222 VanDerWaalsContact CE-O 3.24Å; K190-I222 WeakPolarHBondContact CE-O 3.42Å; K190-I222 PolarHBondContact NZ-O 2.91Å; F191-I222 HydrophobicContact CD2-CG2 4.13Å; F191-I222 HydrophobicContact CE2-CG1 4.22Å; F191-I222 HydrophobicContact CE2-CG2 3.8Å; F218-I222 HydrophobicContact CD1-CG2 4.31Å; F218-I222 HydrophobicContact CD2-CB 4.33Å; F218-I222 HydrophobicContact CD2-CD1 4.38Å; F218-I222 HydrophobicContact CE1-CB 4.28Å; F218-I222 HydrophobicContact CE1-CG1 4.29Å; F218-I222 HydrophobicContact CE1-CG2 4.01Å; F218-I222 HydrophobicContact CE2-CB 4.05Å; F218-I222 HydrophobicContact CE2-CD1 3.61Å; F218-I222 HydrophobicContact CE2-CG1 3.76Å; F218-I222 HydrophobicContact CZ-CB 4.03Å; F218-I222 HydrophobicContact CZ-CD1 3.96Å; F218-I222 HydrophobicContact CZ-CG1 3.63Å; F218-I222 HydrophobicContact CZ-CG2 4.21Å; F218-I222 VanDerWaalsContact O-CB 3.26Å; F218-I222 WeakPolarHBondContact O-CB 3.39Å; F218-I222 WeakPolarHBondContact O-CG2 3.34Å; F218-I222 PolarHBondContact O-N 3.42Å; I222-M226 HydrophobicContact CD1-CB 3.99Å; I222-M226 HydrophobicContact CD1-CG 4.21Å; I222-M226 HydrophobicContact CG1-CB 4.15Å; I222-M226 HydrophobicContact CG1-CG 3.84Å; I222-Y229 HydrophobicContact CD1-CD2 4.03Å; I222-Y229 HydrophobicContact CD1-CG 4.41Å
223A95.6Very high95.9Very high27 Ų2755.3 Ų55.322%0.22331%0.306CS..  trans-71.3163.7175.200000111.4F191 D225 M226 N228F191-A223 WeakPolarHBondContact CE2-O 3.46Å; F191-A223 WeakPolarHBondContact CZ-O 3.27Å; A223-D225 PolarHBondContact O-N 3.42Å; A223-D225 VanDerWaalsContact O-N 3.14Å; A223-M226 PolarHBondContact O-N 3.3Å; A223-M226 VanDerWaalsContact O-N 3.09Å; A223-N228 HydrophobicContact CB-CB 4.38Å; A223-N228 WeakPolarHBondContact CB-OD1 3.46Å; A223-N228 PolarHBondContact N-OD1 2.87Å
224D94.1Very high95.8Very high120 Ų12058.3 Ų58.364%0.64234%0.335SS*.THydrogen-bonded Turntrans-64-17.6-179.4-65.2-13.2000113.5K190 F191K190-D224 WeakPolarHBondContact CD-OD1 3.45Å; K190-D224 WeakPolarHBondContact CE-OD1 3.35Å; K190-D224 IonicContact NZ-OD1 3.69Å; K190-D224 PolarHBondContact NZ-OD1 3.29Å; F191-D224 WeakPolarHBondContact CZ-O 3.48Å
225D93.3Very high95.7Very high58 Ų5858.4 Ų58.431%0.3133%0.332SS..THydrogen-bonded Turntrans-118.112.2174.6627.4000114.2A223 S227 I250 K254A223-D225 PolarHBondContact O-N 3.42Å; A223-D225 VanDerWaalsContact O-N 3.14Å; D225-S227 PolarHBondContact O-N 3.34Å; D225-S227 WeakPolarHBondContact OD1-CB 3.32Å; D225-S227 PolarHBondContact OD1-N 2.9Å; D225-S227 PolarHBondContact OD1-OG 3.27Å; D225-I250 HydrophobicContact CB-CG2 4.33Å; D225-K254 VanDerWaalsContact CB-NZ 3.28Å; D225-K254 IonicContact OD2-NZ 3.31Å; D225-K254 PolarHBondContact OD2-NZ 3.47Å
226M95.8Very high95.6Very high0 Ų059.1 Ų59.10%034%0.337CS..SBendtrans57.318.3179.9-53.8-179.1171.400114.7F191 F218 I222 A223 N228 Y229 F242 V243 A246 R247 I250F191-M226 HydrophobicContact CB-CE 4.09Å; F191-M226 HydrophobicContact CD1-CE 3.93Å; F191-M226 HydrophobicContact CD2-CE 3.3Å; F191-M226 HydrophobicContact CE1-CE 4.12Å; F191-M226 HydrophobicContact CE2-CE 3.5Å; F191-M226 HydrophobicContact CE2-CG 3.83Å; F191-M226 HydrophobicContact CG-CE 3.51Å; F191-M226 HydrophobicContact CZ-CE 3.91Å; F191-M226 HydrophobicContact CZ-CG 3.95Å; F218-M226 HydrophobicContact CZ-CE 4.47Å; I222-M226 HydrophobicContact CD1-CB 3.99Å; I222-M226 HydrophobicContact CD1-CG 4.21Å; I222-M226 HydrophobicContact CG1-CB 4.15Å; I222-M226 HydrophobicContact CG1-CG 3.84Å; A223-M226 PolarHBondContact O-N 3.3Å; A223-M226 VanDerWaalsContact O-N 3.09Å; M226-N228 VanDerWaalsContact C-N 3.29Å; M226-N228 PolarHBondContact O-N 2.91Å; M226-Y229 WeakPolarHBondContact O-CB 3.38Å; M226-Y229 PolarHBondContact O-N 3.03Å; M226-F242 HydrophobicContact CE-CD1 4.44Å; M226-F242 HydrophobicContact CE-CE1 3.53Å; M226-F242 HydrophobicContact CE-CZ 3.76Å; M226-V243 HydrophobicContact CB-CG1 4.46Å; M226-V243 HydrophobicContact SD-CG1 4.43Å; M226-V243 HydrophobicContact SD-CG2 4.33Å; M226-A246 HydrophobicContact CE-CB 3.56Å; M226-A246 HydrophobicContact SD-CB 3.66Å; M226-R247 HydrophobicContact CB-CG 4.24Å; M226-I250 HydrophobicContact CE-CD1 3.78Å; M226-I250 HydrophobicContact CG-CD1 3.86Å; M226-I250 HydrophobicContact SD-CD1 3.73Å
227S95.2Very high95.5Very high86 Ų8663.3 Ų63.360%0.60136%0.363SS*.THydrogen-bonded Turntrans-69.4-24.5-177.755.70000114D225 Y229D225-S227 PolarHBondContact O-N 3.34Å; D225-S227 WeakPolarHBondContact OD1-CB 3.32Å; D225-S227 PolarHBondContact OD1-N 2.9Å; D225-S227 PolarHBondContact OD1-OG 3.27Å; S227-Y229 VanDerWaalsContact C-N 3.32Å
228N96.2Very high95.5Very high86 Ų8661.9 Ų61.946%0.4636%0.356SS..THydrogen-bonded Turntrans-91.812.2178.273.9-32.9000113.6M221 A223 M226 D230M221-N228 PolarHBondContact O-ND2 2.83Å; A223-N228 HydrophobicContact CB-CB 4.38Å; A223-N228 WeakPolarHBondContact CB-OD1 3.46Å; A223-N228 PolarHBondContact N-OD1 2.87Å; M226-N228 VanDerWaalsContact C-N 3.29Å; M226-N228 PolarHBondContact O-N 2.91Å; N228-D230 PolarHBondContact O-N 3.45Å
229Y97.4Very high95.5Very high21 Ų2161.9 Ų61.98%0.08236%0.355CS..  trans-68.5129.8175.6-172.7-110.3000110.8F218 I222 M226 S227 E231 W235 I239 D240 V243F218-Y229 HydrophobicContact CD2-CD2 4.13Å; F218-Y229 AromaticContact CD2-CE2 3.92Å; F218-Y229 HydrophobicContact CD2-CE2 3.92Å; F218-Y229 AromaticContact CE2-CD2 3.67Å; F218-Y229 HydrophobicContact CE2-CD2 3.67Å; F218-Y229 AromaticContact CE2-CE2 3.71Å; F218-Y229 HydrophobicContact CE2-CE2 3.71Å; I222-Y229 HydrophobicContact CD1-CD2 4.03Å; I222-Y229 HydrophobicContact CD1-CG 4.41Å; M226-Y229 WeakPolarHBondContact O-CB 3.38Å; M226-Y229 PolarHBondContact O-N 3.03Å; S227-Y229 VanDerWaalsContact C-N 3.32Å; Y229-E231 HydrophobicContact CD1-CG 3.82Å; Y229-E231 HydrophobicContact CE1-CG 3.87Å; Y229-W235 AromaticContact CE2-CD1 3.51Å; Y229-W235 HydrophobicContact CE2-CD2 4.44Å; Y229-W235 AromaticContact CE2-CG 3.94Å; Y229-W235 HydrophobicContact CE2-CG 3.94Å; Y229-W235 AromaticContact CE2-NE1 3.84Å; Y229-W235 AromaticContact CZ-CD1 3.59Å; Y229-W235 AromaticContact CZ-CG 4Å; Y229-W235 VanDerWaalsContact OH-CB 3.24Å; Y229-W235 WeakPolarHBondContact OH-CB 3.42Å; Y229-I239 HydrophobicContact CE2-CG2 4Å; Y229-D240 WeakPolarHBondContact CE1-OD1 3.46Å; Y229-D240 WeakPolarHBondContact OH-CA 3.27Å; Y229-D240 PolarHBondContact OH-N 3.38Å; Y229-D240 PolarHBondContact OH-OD1 3.11Å; Y229-V243 HydrophobicContact CD1-CB 4.08Å; Y229-V243 HydrophobicContact CD1-CG1 3.72Å; Y229-V243 HydrophobicContact CD1-CG2 4.01Å; Y229-V243 HydrophobicContact CD2-CG2 3.81Å; Y229-V243 HydrophobicContact CE1-CB 4.15Å; Y229-V243 HydrophobicContact CE1-CG1 4.28Å; Y229-V243 HydrophobicContact CE1-CG2 4.05Å; Y229-V243 HydrophobicContact CE2-CG2 3.84Å; Y229-V243 HydrophobicContact CG-CB 4.36Å; Y229-V243 HydrophobicContact CG-CG1 3.94Å; Y229-V243 HydrophobicContact CG-CG2 3.86Å
230D95Very high95.5Very high89 Ų8963 Ų6348%0.47636%0.36SS..  trans-103106.5177.1179.312.9000109.9N228 E232 G233 W235N228-D230 PolarHBondContact O-N 3.45Å; D230-E232 PolarHBondContact O-N 3.49Å; D230-E232 PolarHBondContact OD1-N 2.98Å; D230-G233 PolarHBondContact O-N 3.34Å; D230-G233 VanDerWaalsContact O-N 3.07Å; D230-W235 VanDerWaalsContact O-CD1 3.28Å
231E92.2Very high95.6Very high118 Ų11861.2 Ų61.255%0.55135%0.346SS*.THydrogen-bonded Turntrans-68.4-16.8179.3-66.6170.4-161.100112.1Y229 R247Y229-E231 HydrophobicContact CD1-CG 3.82Å; Y229-E231 HydrophobicContact CE1-CG 3.87Å; E231-R247 IonicContact OE1-CZ 3.56Å; E231-R247 IonicContact OE1-NH1 2.69Å; E231-R247 PolarHBondContact OE1-NH1 3.36Å; E231-R247 IonicContact OE1-NH2 3.56Å
232E93.1Very high95.7Very high181 Ų18156.9 Ų56.985%0.84633%0.325SS*.THydrogen-bonded Turntrans-920.2173.7-59.1-170.1157.900112.6D230 A234D230-E232 PolarHBondContact O-N 3.49Å; D230-E232 PolarHBondContact OD1-N 2.98Å; E232-A234 PolarHBondContact O-N 2.83Å
233G92.1Very high95.7Very high32 Ų3256.7 Ų56.733%0.3332%0.324SS..SBendtrans-71.410.9-173.200000116.4D230 W235D230-G233 PolarHBondContact O-N 3.34Å; D230-G233 VanDerWaalsContact O-N 3.07Å; G233-W235 PolarHBondContact O-N 3.1Å
234A94.9Very high95.7Very high91 Ų9161.6 Ų61.675%0.75234%0.342SS*.  trans53.335.6-17600000113.8E232E232-A234 PolarHBondContact O-N 2.83Å
235W97.3Very high95.8Very high37 Ų3757.5 Ų57.514%0.1432%0.319CS..  trans-64.9155.8173.1-67.5106.7000111.2L214 D217 F218 M221 Y229 D230 G233 V237 I239L214-W235 HydrophobicContact CB-CE3 4.15Å; L214-W235 HydrophobicContact CB-CZ3 3.91Å; L214-W235 HydrophobicContact CD2-CZ3 3.95Å; L214-W235 HydrophobicContact CG-CZ3 4.41Å; D217-W235 HydrophobicContact CB-CH2 4.25Å; D217-W235 HydrophobicContact CB-CZ3 4.44Å; F218-W235 HydrophobicContact CB-CZ3 4.24Å; M221-W235 HydrophobicContact CE-CH2 3.12Å; M221-W235 HydrophobicContact CE-CZ2 3.35Å; M221-W235 HydrophobicContact CE-CZ3 4.3Å; M221-W235 HydrophobicContact SD-CH2 3.81Å; M221-W235 HydrophobicContact SD-CZ2 3.36Å; M221-W235 WeakPolarHBondContact SD-CZ2 3.23Å; Y229-W235 AromaticContact CE2-CD1 3.51Å; Y229-W235 HydrophobicContact CE2-CD2 4.44Å; Y229-W235 AromaticContact CE2-CG 3.94Å; Y229-W235 HydrophobicContact CE2-CG 3.94Å; Y229-W235 AromaticContact CE2-NE1 3.84Å; Y229-W235 AromaticContact CZ-CD1 3.59Å; Y229-W235 AromaticContact CZ-CG 4Å; Y229-W235 VanDerWaalsContact OH-CB 3.24Å; Y229-W235 WeakPolarHBondContact OH-CB 3.42Å; D230-W235 VanDerWaalsContact O-CD1 3.28Å; G233-W235 PolarHBondContact O-N 3.1Å; W235-V237 PolarHBondContact O-N 3.45Å; W235-I239 HydrophobicContact CB-CB 4.38Å; W235-I239 HydrophobicContact CE3-CD1 4.09Å
236P96.9Very high95.9Very high15 Ų1554.8 Ų54.810%0.09730%0.304CS..  trans-58.7137.4166.1-1729.7000109.1T211 L214 L238 I239 D240T211-P236 HydrophobicContact CG2-CB 4.09Å; T211-P236 HydrophobicContact CG2-CG 4.28Å; T211-P236 WeakPolarHBondContact OG1-CB 3.21Å; L214-P236 HydrophobicContact CB-CG 4.04Å; L214-P236 HydrophobicContact CD1-CG 3.75Å; P236-L238 PolarHBondContact O-N 3.06Å; P236-I239 HydrophobicContact CB-CG1 4.44Å; P236-I239 HydrophobicContact CG-CD1 4.1Å; P236-I239 HydrophobicContact CG-CG1 4.27Å; P236-I239 WeakPolarHBondContact O-CA 3.34Å; P236-I239 WeakPolarHBondContact O-CB 3.23Å; P236-I239 PolarHBondContact O-N 3.22Å; P236-D240 PolarHBondContact O-N 3.24Å
237V96.3Very high95.8Very high100 Ų10058.5 Ų58.561%0.60632%0.318SS*.Hα-helixtrans-48.8-32.3175.9178.90000112.4W235 I239 D240 D241W235-V237 PolarHBondContact O-N 3.45Å; V237-I239 VanDerWaalsContact C-N 3.29Å; V237-I239 PolarHBondContact O-N 3.01Å; V237-D240 WeakPolarHBondContact CA-OD2 3.42Å; V237-D240 WeakPolarHBondContact O-CB 3.48Å; V237-D240 PolarHBondContact O-N 3.25Å; V237-D241 WeakPolarHBondContact O-CB 3.23Å; V237-D241 VanDerWaalsContact O-CG 3.23Å; V237-D241 PolarHBondContact O-N 3.45Å
238L97.2Very high95.7Very high16 Ų1658.6 Ų58.68%0.08432%0.317CS..Hα-helixtrans-62.3-33.8176.4-169.862.6000113.9W195 F198 L199 H203 I207 T211 P236 F242W195-L238 HydrophobicContact CH2-CD2 3.85Å; W195-L238 HydrophobicContact CH2-CG 3.82Å; W195-L238 HydrophobicContact CZ2-CD2 4.22Å; F198-L238 HydrophobicContact CE1-CD1 3.54Å; F198-L238 HydrophobicContact CE1-CG 4.08Å; F198-L238 WeakPolarHBondContact CE1-O 3.49Å; F198-L238 HydrophobicContact CZ-CD1 3.88Å; L199-L238 HydrophobicContact CD2-CD1 4.22Å; L199-L238 HydrophobicContact CD2-CD2 3.95Å; L199-L238 HydrophobicContact CD2-CG 4.38Å; H203-L238 HydrophobicContact CB-CD1 4.02Å; H203-L238 VanDerWaalsContact ND1-CD1 3.27Å; H203-L238 WeakPolarHBondContact ND1-CD1 3.44Å; I207-L238 HydrophobicContact CD1-CD2 3.78Å; T211-L238 HydrophobicContact CG2-CB 4.21Å; T211-L238 HydrophobicContact CG2-CD2 3.81Å; P236-L238 PolarHBondContact O-N 3.06Å; L238-F242 WeakPolarHBondContact O-CB 3.42Å; L238-F242 PolarHBondContact O-N 3.25Å
239I98Very high95.5Very high0 Ų057.1 Ų57.10%031%0.308CS..Hα-helixtrans-76.9-39.1175.6-60.2-171000109.8L214 L215 F218 Y229 W235 P236 V237 F242 V243L214-I239 HydrophobicContact CB-CD1 4.34Å; L215-I239 HydrophobicContact CB-CD1 4.49Å; L215-I239 HydrophobicContact CD1-CD1 4.42Å; F218-I239 HydrophobicContact CB-CD1 4.17Å; F218-I239 HydrophobicContact CB-CG2 4.43Å; F218-I239 HydrophobicContact CD1-CG2 4.48Å; F218-I239 HydrophobicContact CD2-CG2 3.48Å; F218-I239 VanDerWaalsContact CD2-CG2 3.48Å; F218-I239 HydrophobicContact CE2-CG2 3.73Å; F218-I239 HydrophobicContact CG-CG2 3.88Å; F218-I239 HydrophobicContact CZ-CG2 4.35Å; Y229-I239 HydrophobicContact CE2-CG2 4Å; W235-I239 HydrophobicContact CB-CB 4.38Å; W235-I239 HydrophobicContact CE3-CD1 4.09Å; P236-I239 HydrophobicContact CB-CG1 4.44Å; P236-I239 HydrophobicContact CG-CD1 4.1Å; P236-I239 HydrophobicContact CG-CG1 4.27Å; P236-I239 WeakPolarHBondContact O-CA 3.34Å; P236-I239 WeakPolarHBondContact O-CB 3.23Å; P236-I239 PolarHBondContact O-N 3.22Å; V237-I239 VanDerWaalsContact C-N 3.29Å; V237-I239 PolarHBondContact O-N 3.01Å; I239-F242 WeakPolarHBondContact O-CB 3.45Å; I239-F242 PolarHBondContact O-N 2.82Å; I239-V243 WeakPolarHBondContact O-CG2 3.31Å; I239-V243 PolarHBondContact O-N 3.32Å
240D97.3Very high95Very high38 Ų3857.1 Ų57.120%0.20331%0.309CS..Hα-helixtrans-56.5-55172.8-62-47.2000110.8Y229 P236 V237 F242 V243 E244Y229-D240 WeakPolarHBondContact CE1-OD1 3.46Å; Y229-D240 WeakPolarHBondContact OH-CA 3.27Å; Y229-D240 PolarHBondContact OH-N 3.38Å; Y229-D240 PolarHBondContact OH-OD1 3.11Å; P236-D240 PolarHBondContact O-N 3.24Å; V237-D240 WeakPolarHBondContact CA-OD2 3.42Å; V237-D240 WeakPolarHBondContact O-CB 3.48Å; V237-D240 PolarHBondContact O-N 3.25Å; D240-F242 PolarHBondContact O-N 3.17Å; D240-V243 PolarHBondContact O-N 2.92Å; D240-E244 PolarHBondContact O-N 3.23Å; D240-E244 VanDerWaalsContact O-N 3.1Å
241D97.1Very high94.2Very high75 Ų7555.7 Ų55.740%0.40131%0.309SS..Hα-helixtrans-57.3-36.7178.3-69.7-14.6000111.8F198 V237 F245F198-D241 HydrophobicContact CE2-CB 4.04Å; F198-D241 HydrophobicContact CZ-CB 3.64Å; V237-D241 WeakPolarHBondContact O-CB 3.23Å; V237-D241 VanDerWaalsContact O-CG 3.23Å; V237-D241 PolarHBondContact O-N 3.45Å; D241-F245 WeakPolarHBondContact O-CB 3.43Å; D241-F245 PolarHBondContact O-N 3.28Å
242F97.7Very high93.1Very high0 Ų051.8 Ų51.80%030%0.301CS..Hα-helixtrans-66.6-42.3176.9168.9-113.7000112.5F189 F191 L194 W195 F198 F218 M226 L238 I239 D240 E244 F245 A246F189-F242 HydrophobicContact CZ-CE1 4.1Å; F189-F242 HydrophobicContact CZ-CZ 4.38Å; F191-F242 HydrophobicContact CB-CE1 4.38Å; F191-F242 HydrophobicContact CB-CZ 3.86Å; L194-F242 HydrophobicContact CB-CE2 4.11Å; L194-F242 HydrophobicContact CB-CZ 4.35Å; W195-F242 HydrophobicContact CB-CE2 4.12Å; W195-F242 HydrophobicContact CB-CZ 4.2Å; W195-F242 HydrophobicContact CE3-CB 3.93Å; W195-F242 AromaticContact CE3-CD1 3.79Å; W195-F242 HydrophobicContact CE3-CD1 3.79Å; W195-F242 AromaticContact CE3-CD2 3.63Å; W195-F242 HydrophobicContact CE3-CD2 3.63Å; W195-F242 HydrophobicContact CE3-CE1 4.18Å; W195-F242 HydrophobicContact CE3-CE2 4.04Å; W195-F242 AromaticContact CE3-CG 3.48Å; W195-F242 HydrophobicContact CE3-CG 3.48Å; W195-F242 VanDerWaalsContact CE3-CG 3.48Å; W195-F242 HydrophobicContact CE3-CZ 4.28Å; W195-F242 HydrophobicContact CZ3-CB 3.6Å; W195-F242 HydrophobicContact CZ3-CD1 4.05Å; W195-F242 HydrophobicContact CZ3-CD2 4.21Å; W195-F242 AromaticContact CZ3-CG 3.68Å; W195-F242 HydrophobicContact CZ3-CG 3.68Å; F198-F242 HydrophobicContact CB-CD2 3.78Å; F198-F242 HydrophobicContact CB-CE2 4.3Å; F198-F242 HydrophobicContact CD1-CB 3.8Å; F198-F242 AromaticContact CD1-CD2 3.84Å; F198-F242 HydrophobicContact CD1-CD2 3.84Å; F198-F242 HydrophobicContact CD1-CG 4.25Å; F198-F242 HydrophobicContact CE1-CB 3.73Å; F198-F242 HydrophobicContact CG-CB 4.27Å; F198-F242 AromaticContact CG-CD2 3.8Å; F198-F242 HydrophobicContact CG-CD2 3.8Å; F198-F242 HydrophobicContact CZ-CB 4.14Å; F218-F242 HydrophobicContact CE1-CD1 4.12Å; F218-F242 AromaticContact CE1-CE1 3.82Å; F218-F242 HydrophobicContact CE1-CE1 3.82Å; F218-F242 HydrophobicContact CZ-CD1 4.1Å; F218-F242 HydrophobicContact CZ-CE1 4.02Å; M226-F242 HydrophobicContact CE-CD1 4.44Å; M226-F242 HydrophobicContact CE-CE1 3.53Å; M226-F242 HydrophobicContact CE-CZ 3.76Å; L238-F242 WeakPolarHBondContact O-CB 3.42Å; L238-F242 PolarHBondContact O-N 3.25Å; I239-F242 WeakPolarHBondContact O-CB 3.45Å; I239-F242 PolarHBondContact O-N 2.82Å; D240-F242 PolarHBondContact O-N 3.17Å; F242-E244 VanDerWaalsContact C-N 3.33Å; F242-F245 HydrophobicContact CD2-CD1 4.46Å; F242-F245 PolarHBondContact O-N 3.43Å; F242-A246 HydrophobicContact CD2-CB 4.37Å; F242-A246 HydrophobicContact CE2-CB 3.94Å; F242-A246 HydrophobicContact CZ-CB 4.04Å; F242-A246 VanDerWaalsContact O-CB 3.23Å; F242-A246 WeakPolarHBondContact O-CB 3.48Å; F242-A246 PolarHBondContact O-N 3.35Å
243V97.1Very high91.7Very high1 Ų147.7 Ų47.71%0.00629%0.288CS..Hα-helixtrans-64.4-41.9178.7171.30000110.4F218 M226 Y229 I239 D240 F245 A246 R247F218-V243 HydrophobicContact CE2-CG2 3.66Å; F218-V243 HydrophobicContact CZ-CG2 3.78Å; M226-V243 HydrophobicContact CB-CG1 4.46Å; M226-V243 HydrophobicContact SD-CG1 4.43Å; M226-V243 HydrophobicContact SD-CG2 4.33Å; Y229-V243 HydrophobicContact CD1-CB 4.08Å; Y229-V243 HydrophobicContact CD1-CG1 3.72Å; Y229-V243 HydrophobicContact CD1-CG2 4.01Å; Y229-V243 HydrophobicContact CD2-CG2 3.81Å; Y229-V243 HydrophobicContact CE1-CB 4.15Å; Y229-V243 HydrophobicContact CE1-CG1 4.28Å; Y229-V243 HydrophobicContact CE1-CG2 4.05Å; Y229-V243 HydrophobicContact CE2-CG2 3.84Å; Y229-V243 HydrophobicContact CG-CB 4.36Å; Y229-V243 HydrophobicContact CG-CG1 3.94Å; Y229-V243 HydrophobicContact CG-CG2 3.86Å; I239-V243 WeakPolarHBondContact O-CG2 3.31Å; I239-V243 PolarHBondContact O-N 3.32Å; D240-V243 PolarHBondContact O-N 2.92Å; V243-F245 VanDerWaalsContact C-N 3.32Å; V243-F245 PolarHBondContact O-N 2.88Å; V243-A246 PolarHBondContact O-N 2.76Å; V243-R247 HydrophobicContact CG1-CG 4.04Å; V243-R247 VanDerWaalsContact CG1-CZ 3.49Å; V243-R247 VanDerWaalsContact CG1-NE 3.28Å; V243-R247 WeakPolarHBondContact O-CB 3.05Å; V243-R247 VanDerWaalsContact O-CG 3.3Å; V243-R247 WeakPolarHBondContact O-CG 3.37Å; V243-R247 PolarHBondContact O-N 2.93Å
244E95.6Very high90.1Very high129 Ų12952.4 Ų52.460%0.60330%0.3SS*.Hα-helixtrans-58.9-42.9173.3-67.9-170.6173.200112.1D240 F242 P248D240-E244 PolarHBondContact O-N 3.23Å; D240-E244 VanDerWaalsContact O-N 3.1Å; F242-E244 VanDerWaalsContact C-N 3.33Å; E244-P248 VanDerWaalsContact O-CD 3.23Å; E244-P248 WeakPolarHBondContact O-CD 3.47Å
245F96.2Very high88.2Confident35 Ų3553 Ų5315%0.15430%0.298CS..Hα-helixtrans-67.2-40.5176.8170.5-95.5000113.4K197 F198 H202 D241 F242 V243 Q249K197-F245 HydrophobicContact CD-CZ 4.05Å; K197-F245 HydrophobicContact CG-CZ 4.11Å; F198-F245 HydrophobicContact CB-CD1 3.64Å; F198-F245 HydrophobicContact CB-CE1 3.64Å; F198-F245 HydrophobicContact CB-CG 4.3Å; F198-F245 HydrophobicContact CB-CZ 4.3Å; F198-F245 HydrophobicContact CD2-CB 3.77Å; F198-F245 AromaticContact CD2-CD1 3.94Å; F198-F245 HydrophobicContact CD2-CD1 3.94Å; F198-F245 HydrophobicContact CD2-CD2 4.23Å; F198-F245 AromaticContact CD2-CG 3.73Å; F198-F245 HydrophobicContact CD2-CG 3.73Å; F198-F245 HydrophobicContact CE2-CB 4.23Å; F198-F245 HydrophobicContact CG-CD1 4.17Å; F198-F245 HydrophobicContact CG-CG 4.42Å; H202-F245 AromaticContact CD2-CD2 3.76Å; H202-F245 AromaticContact CD2-CE2 3.71Å; H202-F245 AromaticContact NE2-CD2 3.57Å; H202-F245 AromaticContact NE2-CE2 3.48Å; H202-F245 WeakPolarHBondContact NE2-CE2 3.34Å; D241-F245 WeakPolarHBondContact O-CB 3.43Å; D241-F245 PolarHBondContact O-N 3.28Å; F242-F245 HydrophobicContact CD2-CD1 4.46Å; F242-F245 PolarHBondContact O-N 3.43Å; V243-F245 VanDerWaalsContact C-N 3.32Å; V243-F245 PolarHBondContact O-N 2.88Å; F245-Q249 VanDerWaalsContact CD1-NE2 3.33Å; F245-Q249 PolarHBondContact O-NE2 3.48Å
246A95.9Very high86Confident0 Ų056.9 Ų56.90%033%0.326CS..Hα-helixtrans-84.6-35.1-169.500000113.5L194 M226 F242 V243 Q249 I250L194-A246 HydrophobicContact CD1-CB 4.44Å; M226-A246 HydrophobicContact CE-CB 3.56Å; M226-A246 HydrophobicContact SD-CB 3.66Å; F242-A246 HydrophobicContact CD2-CB 4.37Å; F242-A246 HydrophobicContact CE2-CB 3.94Å; F242-A246 HydrophobicContact CZ-CB 4.04Å; F242-A246 VanDerWaalsContact O-CB 3.23Å; F242-A246 WeakPolarHBondContact O-CB 3.48Å; F242-A246 PolarHBondContact O-N 3.35Å; V243-A246 PolarHBondContact O-N 2.76Å; A246-Q249 PolarHBondContact O-N 2.81Å; A246-I250 HydrophobicContact CB-CD1 4.42Å; A246-I250 WeakPolarHBondContact O-CG1 3.02Å; A246-I250 PolarHBondContact O-N 3.06Å
247R93.8Very high83.4Confident78 Ų7861.6 Ų61.629%0.29436%0.355SS..Hα-helixtrans-50.7-48.6-178.1-82.8171.8174.3166.1-1.1113.4M226 E231 V243 Q249 I250 A251M226-R247 HydrophobicContact CB-CG 4.24Å; E231-R247 IonicContact OE1-CZ 3.56Å; E231-R247 IonicContact OE1-NH1 2.69Å; E231-R247 PolarHBondContact OE1-NH1 3.36Å; E231-R247 IonicContact OE1-NH2 3.56Å; V243-R247 HydrophobicContact CG1-CG 4.04Å; V243-R247 VanDerWaalsContact CG1-CZ 3.49Å; V243-R247 VanDerWaalsContact CG1-NE 3.28Å; V243-R247 WeakPolarHBondContact O-CB 3.05Å; V243-R247 VanDerWaalsContact O-CG 3.3Å; V243-R247 WeakPolarHBondContact O-CG 3.37Å; V243-R247 PolarHBondContact O-N 2.93Å; R247-Q249 VanDerWaalsContact C-N 3.33Å; R247-Q249 PolarHBondContact O-N 2.76Å; R247-I250 PolarHBondContact O-N 3.29Å; R247-A251 PolarHBondContact O-N 2.84Å; R247-A251 VanDerWaalsContact O-N 3.1Å
248P92.7Very high80.7Confident88 Ų8866.9 Ų66.957%0.57139%0.387SS*.Hα-helixtrans-63.3-35.8178.8-22.634.1000113.6E244 A251 G252E244-P248 VanDerWaalsContact O-CD 3.23Å; E244-P248 WeakPolarHBondContact O-CD 3.47Å; P248-A251 PolarHBondContact O-N 3.34Å; P248-G252 PolarHBondContact O-N 3.29Å
249Q91.5Very high79.8Confident56 Ų5669.4 Ų69.426%0.26240%0.402SS..Hα-helixtrans-69.7-37.1-179.9-68.9173.984.300111.2L194 F245 A246 R247 G252 T253L194-Q249 HydrophobicContact CD2-CB 4.35Å; F245-Q249 VanDerWaalsContact CD1-NE2 3.33Å; F245-Q249 PolarHBondContact O-NE2 3.48Å; A246-Q249 PolarHBondContact O-N 2.81Å; R247-Q249 VanDerWaalsContact C-N 3.33Å; R247-Q249 PolarHBondContact O-N 2.76Å; Q249-G252 PolarHBondContact O-N 3.01Å; Q249-T253 PolarHBondContact O-N 3.45Å; Q249-T253 PolarHBondContact O-OG1 2.93Å; Q249-T253 VanDerWaalsContact O-OG1 3.06Å
250I87.3Confident78.9Confident20 Ų2073.1 Ų73.110%0.10342%0.423CS..Hα-helixtrans-69.6-40.7176.6-62.1164.7000111.2F191 L194 D225 M226 A246 R247 G252 T253 K254F191-I250 HydrophobicContact CD1-CD1 4.17Å; F191-I250 HydrophobicContact CE1-CD1 3.6Å; F191-I250 HydrophobicContact CE1-CG1 4.3Å; F191-I250 HydrophobicContact CZ-CD1 4Å; L194-I250 HydrophobicContact CD1-CG1 4.2Å; D225-I250 HydrophobicContact CB-CG2 4.33Å; M226-I250 HydrophobicContact CE-CD1 3.78Å; M226-I250 HydrophobicContact CG-CD1 3.86Å; M226-I250 HydrophobicContact SD-CD1 3.73Å; A246-I250 HydrophobicContact CB-CD1 4.42Å; A246-I250 WeakPolarHBondContact O-CG1 3.02Å; A246-I250 PolarHBondContact O-N 3.06Å; R247-I250 PolarHBondContact O-N 3.29Å; I250-G252 VanDerWaalsContact C-N 3.34Å; I250-G252 PolarHBondContact O-N 3.06Å; I250-T253 PolarHBondContact O-N 2.89Å; I250-K254 PolarHBondContact O-N 2.81Å
251A78.3Confident77.8Confident60 Ų6075 Ų7550%0.49644%0.435SS..Hα-helixtrans-63.2-39.1175.800000112.4R247 P248 T253 K254 S255R247-A251 PolarHBondContact O-N 2.84Å; R247-A251 VanDerWaalsContact O-N 3.1Å; P248-A251 PolarHBondContact O-N 3.34Å; A251-T253 VanDerWaalsContact C-N 3.33Å; A251-T253 PolarHBondContact O-N 3.43Å; A251-K254 PolarHBondContact O-N 3.03Å; A251-S255 PolarHBondContact O-N 2.96Å
252G68.8Low76.7Confident36 Ų3675 Ų7537%0.37144%0.437SS..Hα-helixtrans-61.3-38.1175.400000113.3P248 Q249 I250 S255 T256P248-G252 PolarHBondContact O-N 3.29Å; Q249-G252 PolarHBondContact O-N 3.01Å; I250-G252 VanDerWaalsContact C-N 3.34Å; I250-G252 PolarHBondContact O-N 3.06Å; G252-S255 PolarHBondContact O-N 3.11Å; G252-T256 PolarHBondContact O-N 3.35Å; G252-T256 PolarHBondContact O-OG1 3.42Å
253T63Low75.4Confident95 Ų9579.7 Ų79.758%0.58347%0.465SS*.Hα-helixtrans-67.2-39.6177.5-51.90000112.2Q249 I250 A251 S255 T256 T257Q249-T253 PolarHBondContact O-N 3.45Å; Q249-T253 PolarHBondContact O-OG1 2.93Å; Q249-T253 VanDerWaalsContact O-OG1 3.06Å; I250-T253 PolarHBondContact O-N 2.89Å; A251-T253 VanDerWaalsContact C-N 3.33Å; A251-T253 PolarHBondContact O-N 3.43Å; T253-S255 PolarHBondContact O-N 3.36Å; T253-T256 PolarHBondContact O-N 3.05Å; T253-T257 PolarHBondContact O-OG1 3.35Å
254K58.8Low74Confident130 Ų13084.9 Ų84.957%0.56550%0.495SS*.Hα-helixtrans-62.7-30.9175-70.4-173.7-179.8-178.10112.6D225 I250 A251D225-K254 VanDerWaalsContact CB-NZ 3.28Å; D225-K254 IonicContact OD2-NZ 3.31Å; D225-K254 PolarHBondContact OD2-NZ 3.47Å; I250-K254 PolarHBondContact O-N 2.81Å; A251-K254 PolarHBondContact O-N 3.03Å
255S54.9Low72.4Confident104 Ų10481.8 Ų81.873%0.72749%0.488SS*.Hα-helixtrans-81.8-15.3-179.3-142.40000114.2A251 G252 T253A251-S255 PolarHBondContact O-N 2.96Å; G252-S255 PolarHBondContact O-N 3.11Å; T253-S255 PolarHBondContact O-N 3.36Å
256T52.2Low70.6Confident118 Ų11885.4 Ų85.472%0.72451%0.513SS*.THydrogen-bonded Turntrans-1013-172.1-46.60000113.1G252 T253G252-T256 PolarHBondContact O-N 3.35Å; G252-T256 PolarHBondContact O-OG1 3.42Å; T253-T256 PolarHBondContact O-N 3.05Å
257T42.6Very low68.5Low114 Ų11492.5 Ų92.570%0.69956%0.556SS**  trans-103.199.9179.6-33.90000110.1T253T253-T257 PolarHBondContact O-OG1 3.35Å
258V37.8Very low66.2Low211 Ų21193.8 Ų93.8100%1.27958%0.58SS**  trans-123.90163.4-179.70000108.1

Retrieved 258 of 258 residues in 138.2 ms (Link to these results)

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