A0A087XH72_POEFO Loading...

3-dehydrosphinganine reductase

Catalyzes the reduction of 3'-oxosphinganine (3-ketodihydrosphingosine/KDS) to sphinganine (dihydrosphingosine/DHS), the second step of de novo sphingolipid biosynthesis.

AlphaFold DB , UniProt , Accession A0A087XH72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1L61.9Low84.1Confident183 Ų183103.5 Ų103.596%0.95858%0.577SS**  0-51.70-85.796.1000114.7F3 I4 M5L1-F3 PolarHBondContact O-N 3.28Å; L1-I4 PolarHBondContact O-N 3.44Å; L1-M5 PolarHBondContact O-N 3.01Å; L1-M5 VanDerWaalsContact O-N 3.15Å
2P82.6Confident84.7Confident102 Ų102107.3 Ų107.366%0.66258%0.584SS**Hα-helixtrans-66.3-35.3-174.222.5-31.3000113.7M5 L6P2-M5 PolarHBondContact O-N 3.18Å; P2-L6 WeakPolarHBondContact O-CB 3.45Å; P2-L6 PolarHBondContact O-N 3.09Å
3F84.7Confident84.7Confident144 Ų144106.8 Ų106.863%0.63258%0.578SS**Hα-helixtrans-67.1-42177.5-172.7-106.2000113.4L1 L6 L7L1-F3 PolarHBondContact O-N 3.28Å; F3-L6 PolarHBondContact O-N 3Å; F3-L7 HydrophobicContact CD1-CD1 3.88Å; F3-L7 HydrophobicContact CD1-CG 4.44Å; F3-L7 HydrophobicContact CE1-CD1 3.51Å; F3-L7 HydrophobicContact CE1-CG 4.16Å; F3-L7 HydrophobicContact CZ-CD1 4.12Å; F3-L7 HydrophobicContact CZ-CG 4.38Å; F3-L7 WeakPolarHBondContact O-CG 3.48Å; F3-L7 PolarHBondContact O-N 3.12Å
4I87.6Confident84.8Confident115 Ų115105.2 Ų105.259%0.5957%0.574SS**Hα-helixtrans-65.6-41.8177.1-63.9172.8000110.3L1 L6 L7 V8L1-I4 PolarHBondContact O-N 3.44Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.11Å; I4-L7 PolarHBondContact O-N 3.43Å; I4-V8 HydrophobicContact CG2-CG2 4.46Å; I4-V8 VanDerWaalsContact O-CG2 3.31Å; I4-V8 WeakPolarHBondContact O-CG2 3.19Å; I4-V8 PolarHBondContact O-N 3.11Å
5M86.2Confident84.9Confident130 Ų130101.9 Ų101.964%0.6457%0.566SS**Hα-helixtrans-60.9-41.3175.4-168.4-178.579.800111.5L1 P2 V8 V9L1-M5 PolarHBondContact O-N 3.01Å; L1-M5 VanDerWaalsContact O-N 3.15Å; P2-M5 PolarHBondContact O-N 3.18Å; M5-V8 PolarHBondContact O-N 2.74Å; M5-V9 VanDerWaalsContact O-CG2 3.32Å; M5-V9 WeakPolarHBondContact O-CG2 3.46Å; M5-V9 PolarHBondContact O-N 3.43Å
6L85.4Confident84.9Confident120 Ų120103.1 Ų103.163%0.62856%0.564SS**Hα-helixtrans-65.7-39.3177.5-158.2134.9000112.1P2 F3 I4 A10P2-L6 WeakPolarHBondContact O-CB 3.45Å; P2-L6 PolarHBondContact O-N 3.09Å; F3-L6 PolarHBondContact O-N 3Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.11Å; L6-A10 VanDerWaalsContact O-CB 3.32Å; L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.39Å
7L88Confident84.8Confident93 Ų93101 Ų10149%0.48756%0.555SS.*Hα-helixtrans-65.1-41173.4-73.9175.2000112.6F3 I4 A10 A11F3-L7 HydrophobicContact CD1-CD1 3.88Å; F3-L7 HydrophobicContact CD1-CG 4.44Å; F3-L7 HydrophobicContact CE1-CD1 3.51Å; F3-L7 HydrophobicContact CE1-CG 4.16Å; F3-L7 HydrophobicContact CZ-CD1 4.12Å; F3-L7 HydrophobicContact CZ-CG 4.38Å; F3-L7 WeakPolarHBondContact O-CG 3.48Å; F3-L7 PolarHBondContact O-N 3.12Å; I4-L7 PolarHBondContact O-N 3.43Å; L7-A10 PolarHBondContact O-N 2.92Å; L7-A11 VanDerWaalsContact O-CB 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.41Å; L7-A11 PolarHBondContact O-N 2.96Å
8V87.9Confident84.8Confident73 Ų73100.9 Ų100.944%0.44255%0.553SS.*Hα-helixtrans-64.4-46.3176.9170.90000110.4I4 M5 A10 A11 F12I4-V8 HydrophobicContact CG2-CG2 4.46Å; I4-V8 VanDerWaalsContact O-CG2 3.31Å; I4-V8 WeakPolarHBondContact O-CG2 3.19Å; I4-V8 PolarHBondContact O-N 3.11Å; M5-V8 PolarHBondContact O-N 2.74Å; V8-A10 PolarHBondContact O-N 3.25Å; V8-A11 PolarHBondContact O-N 3.14Å; V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.71Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 3.46Å; V8-F12 PolarHBondContact O-N 3.22Å
9V86.6Confident84.8Confident77 Ų77100.2 Ų100.247%0.46755%0.548SS..Hα-helixtrans-60.7-45.4175.9171.80000111M5 A11 F12 I13M5-V9 VanDerWaalsContact O-CG2 3.32Å; M5-V9 WeakPolarHBondContact O-CG2 3.46Å; M5-V9 PolarHBondContact O-N 3.43Å; V9-A11 PolarHBondContact O-N 2.88Å; V9-F12 PolarHBondContact O-N 3.09Å; V9-I13 HydrophobicContact CG1-CD1 3.89Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.46Å
10A86.3Confident84.7Confident43 Ų4396.6 Ų96.636%0.35553%0.528SS..Hα-helixtrans-60.7-43.3176.300000112L6 L7 V8 F12 I13 V14L6-A10 VanDerWaalsContact O-CB 3.32Å; L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.39Å; L7-A10 PolarHBondContact O-N 2.92Å; V8-A10 PolarHBondContact O-N 3.25Å; A10-F12 PolarHBondContact O-N 2.66Å; A10-I13 PolarHBondContact O-N 2.91Å; A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 2.89Å; A10-V14 PolarHBondContact O-N 3.12Å
11A88.1Confident84.6Confident59 Ų5999.5 Ų99.549%0.48853%0.532SS..Hα-helixtrans-62.9-40.617700000112.2L7 V8 V9 V14 A15L7-A11 VanDerWaalsContact O-CB 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.41Å; L7-A11 PolarHBondContact O-N 2.96Å; V8-A11 PolarHBondContact O-N 3.14Å; V9-A11 PolarHBondContact O-N 2.88Å; A11-V14 PolarHBondContact O-N 2.98Å; A11-A15 VanDerWaalsContact O-CB 3.29Å; A11-A15 WeakPolarHBondContact O-CB 3.35Å; A11-A15 PolarHBondContact O-N 2.83Å
12F90.8Very high85.5Confident149 Ų14997.4 Ų97.465%0.65452%0.519SS*.Hα-helixtrans-63.9-43.2173.9-89.9-73.3000112.4V8 V9 A10 A15 F16V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.71Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 3.46Å; V8-F12 PolarHBondContact O-N 3.22Å; V9-F12 PolarHBondContact O-N 3.09Å; A10-F12 PolarHBondContact O-N 2.66Å; F12-A15 PolarHBondContact O-N 3.27Å; F12-F16 VanDerWaalsContact O-CB 3.24Å; F12-F16 WeakPolarHBondContact O-CB 3.46Å; F12-F16 PolarHBondContact O-N 2.87Å
13I84.9Confident85.6Confident100 Ų10095.5 Ų95.551%0.51350%0.502SS..Hα-helixtrans-61.8-46.5176.3-68.4167.6000110.2V9 A10 F16 V17V9-I13 HydrophobicContact CG1-CD1 3.89Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.46Å; A10-I13 PolarHBondContact O-N 2.91Å; I13-F16 PolarHBondContact O-N 3.08Å; I13-V17 HydrophobicContact CG2-CG2 4.41Å; I13-V17 WeakPolarHBondContact O-CG2 3.36Å; I13-V17 PolarHBondContact O-N 3.28Å
14V85.8Confident85.3Confident85 Ų8589 Ų8952%0.51548%0.475SS..Hα-helixtrans-61.5-48177.8171.30000110.7A10 A11 F16 V17 L18A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 2.89Å; A10-V14 PolarHBondContact O-N 3.12Å; A11-V14 PolarHBondContact O-N 2.98Å; V14-F16 VanDerWaalsContact C-N 3.3Å; V14-F16 PolarHBondContact O-N 2.89Å; V14-V17 PolarHBondContact O-N 3.21Å; V14-L18 HydrophobicContact CG1-CD1 3.88Å; V14-L18 HydrophobicContact CG1-CG 4.31Å; V14-L18 WeakPolarHBondContact O-CB 3.4Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.4Å; V14-L18 PolarHBondContact O-N 3.43Å
15A86.9Confident84.7Confident55 Ų5588 Ų8846%0.45548%0.476SS..Hα-helixtrans-60.5-39.9177.500000112.1A11 F12 L18 L19A11-A15 VanDerWaalsContact O-CB 3.29Å; A11-A15 WeakPolarHBondContact O-CB 3.35Å; A11-A15 PolarHBondContact O-N 2.83Å; F12-A15 PolarHBondContact O-N 3.27Å; A15-L18 PolarHBondContact O-N 3.02Å; A15-L19 WeakPolarHBondContact O-CB 3.16Å; A15-L19 PolarHBondContact O-N 2.81Å
16F85.6Confident84.1Confident121 Ų12188.9 Ų88.953%0.53148%0.482SS..Hα-helixtrans-65.7-46176.4-177.6-108.1000112F12 I13 V14 L18 L19 L20F12-F16 VanDerWaalsContact O-CB 3.24Å; F12-F16 WeakPolarHBondContact O-CB 3.46Å; F12-F16 PolarHBondContact O-N 2.87Å; I13-F16 PolarHBondContact O-N 3.08Å; V14-F16 VanDerWaalsContact C-N 3.3Å; V14-F16 PolarHBondContact O-N 2.89Å; F16-L18 VanDerWaalsContact C-N 3.35Å; F16-L18 PolarHBondContact O-N 3.42Å; F16-L19 WeakPolarHBondContact O-CB 3.47Å; F16-L19 PolarHBondContact O-N 2.85Å; F16-L20 HydrophobicContact CD1-CD1 3.94Å; F16-L20 HydrophobicContact CD1-CG 4.48Å; F16-L20 HydrophobicContact CE1-CD1 3.47Å; F16-L20 VanDerWaalsContact CE1-CD1 3.47Å; F16-L20 HydrophobicContact CE1-CG 4.21Å; F16-L20 HydrophobicContact CE2-CD2 4.48Å; F16-L20 HydrophobicContact CZ-CD1 3.82Å; F16-L20 HydrophobicContact CZ-CD2 4.25Å; F16-L20 HydrophobicContact CZ-CG 4.22Å; F16-L20 WeakPolarHBondContact O-CG 3.13Å; F16-L20 PolarHBondContact O-N 2.96Å
17V83.3Confident83.8Confident68 Ų6888.5 Ų88.541%0.41248%0.48SS..Hα-helixtrans-62.9-41.5175.9172.20000111.2I13 V14 L19 L20 Y21I13-V17 HydrophobicContact CG2-CG2 4.41Å; I13-V17 WeakPolarHBondContact O-CG2 3.36Å; I13-V17 PolarHBondContact O-N 3.28Å; V14-V17 PolarHBondContact O-N 3.21Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L20 PolarHBondContact O-N 3.4Å; V17-Y21 WeakPolarHBondContact O-CB 3.27Å; V17-Y21 PolarHBondContact O-N 2.82Å
18L84.1Confident83.4Confident100 Ų10086 Ų8652%0.52447%0.471SS..Hα-helixtrans-62.7-41.3175.3-73.3173.9000111.9V14 A15 F16 Y21 M22V14-L18 HydrophobicContact CG1-CD1 3.88Å; V14-L18 HydrophobicContact CG1-CG 4.31Å; V14-L18 WeakPolarHBondContact O-CB 3.4Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.4Å; V14-L18 PolarHBondContact O-N 3.43Å; A15-L18 PolarHBondContact O-N 3.02Å; F16-L18 VanDerWaalsContact C-N 3.35Å; F16-L18 PolarHBondContact O-N 3.42Å; L18-Y21 WeakPolarHBondContact O-CB 3.44Å; L18-Y21 PolarHBondContact O-N 3.2Å; L18-M22 WeakPolarHBondContact O-CG 3.18Å; L18-M22 PolarHBondContact O-N 3.47Å
19L85.1Confident83.4Confident87 Ų8783.3 Ų83.346%0.45545%0.454SS..Hα-helixtrans-61.9-45.9174.6-179.765.8000111.4A15 F16 V17 Y21 M22 I23A15-L19 WeakPolarHBondContact O-CB 3.16Å; A15-L19 PolarHBondContact O-N 2.81Å; F16-L19 WeakPolarHBondContact O-CB 3.47Å; F16-L19 PolarHBondContact O-N 2.85Å; V17-L19 VanDerWaalsContact C-N 3.35Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 3.46Å; L19-M22 PolarHBondContact O-N 3.24Å; L19-I23 HydrophobicContact CD1-CD1 3.85Å; L19-I23 HydrophobicContact CD1-CG1 4.33Å; L19-I23 HydrophobicContact CD2-CD1 4.5Å; L19-I23 HydrophobicContact CG-CD1 3.81Å; L19-I23 WeakPolarHBondContact O-CG1 3.33Å; L19-I23 PolarHBondContact O-N 3.5Å
20L82.3Confident83.5Confident28 Ų2888 Ų8815%0.14747%0.468CS..Hα-helixtrans-61.8-39.7176.3-68.1-179.5000111.9F16 V17 I23 S24 I291 L295F16-L20 HydrophobicContact CD1-CD1 3.94Å; F16-L20 HydrophobicContact CD1-CG 4.48Å; F16-L20 HydrophobicContact CE1-CD1 3.47Å; F16-L20 VanDerWaalsContact CE1-CD1 3.47Å; F16-L20 HydrophobicContact CE1-CG 4.21Å; F16-L20 HydrophobicContact CE2-CD2 4.48Å; F16-L20 HydrophobicContact CZ-CD1 3.82Å; F16-L20 HydrophobicContact CZ-CD2 4.25Å; F16-L20 HydrophobicContact CZ-CG 4.22Å; F16-L20 WeakPolarHBondContact O-CG 3.13Å; F16-L20 PolarHBondContact O-N 2.96Å; V17-L20 PolarHBondContact O-N 3.4Å; L20-I23 PolarHBondContact O-N 2.95Å; L20-S24 PolarHBondContact O-N 2.79Å; L20-I291 HydrophobicContact CB-CG2 3.87Å; L20-I291 HydrophobicContact CD1-CG2 3.87Å; L20-I291 HydrophobicContact CD2-CD1 4.14Å; L20-I291 HydrophobicContact CD2-CG2 4.14Å; L20-I291 HydrophobicContact CG-CG2 4.17Å; L20-L295 HydrophobicContact CD1-CD1 3.83Å
21Y81.8Confident83.9Confident158 Ų15890 Ų9062%0.6248%0.477SS*.Hα-helixtrans-61.2-44.1173.5-178.8-94.9000111.7V17 L18 L19 I23 S24 P25 T292V17-Y21 WeakPolarHBondContact O-CB 3.27Å; V17-Y21 PolarHBondContact O-N 2.82Å; L18-Y21 WeakPolarHBondContact O-CB 3.44Å; L18-Y21 PolarHBondContact O-N 3.2Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 3.46Å; Y21-I23 VanDerWaalsContact C-N 3.35Å; Y21-I23 PolarHBondContact O-N 2.82Å; Y21-S24 PolarHBondContact O-N 3.3Å; Y21-P25 VanDerWaalsContact O-CD 3.31Å; Y21-P25 WeakPolarHBondContact O-CD 3.28Å; Y21-T292 HydrophobicContact CD2-CG2 3.86Å
22M82.6Confident84.3Confident139 Ų13987.8 Ų87.869%0.68546%0.458SS*.Hα-helixtrans-66-33.3177.3-75.6179.751.500113.5L18 L19 P25L18-M22 WeakPolarHBondContact O-CG 3.18Å; L18-M22 PolarHBondContact O-N 3.47Å; L19-M22 PolarHBondContact O-N 3.24Å; M22-P25 WeakPolarHBondContact O-CD 3.39Å
23I82.8Confident84.6Confident61 Ų6189.3 Ų89.331%0.31346%0.464SS..Hα-helixtrans-82.7-26.6-179.8-65.1169.4000111.6L19 L20 Y21 P25 L26 I27L19-I23 HydrophobicContact CD1-CD1 3.85Å; L19-I23 HydrophobicContact CD1-CG1 4.33Å; L19-I23 HydrophobicContact CD2-CD1 4.5Å; L19-I23 HydrophobicContact CG-CD1 3.81Å; L19-I23 WeakPolarHBondContact O-CG1 3.33Å; L19-I23 PolarHBondContact O-N 3.5Å; L20-I23 PolarHBondContact O-N 2.95Å; Y21-I23 VanDerWaalsContact C-N 3.35Å; Y21-I23 PolarHBondContact O-N 2.82Å; I23-P25 VanDerWaalsContact C-CD 3.45Å; I23-L26 WeakPolarHBondContact O-CB 3.34Å; I23-L26 PolarHBondContact O-N 3.26Å; I23-I27 HydrophobicContact CG2-CD1 3.82Å; I23-I27 HydrophobicContact CG2-CG1 4.42Å
24S78.5Confident85.2Confident8 Ų884.9 Ų84.96%0.05644%0.441CS..Hα-helixtrans-50.6-44.5-175.8-167.50000114.4L20 Y21 L26 I27 S28 S290 I291L20-S24 PolarHBondContact O-N 2.79Å; Y21-S24 PolarHBondContact O-N 3.3Å; S24-L26 PolarHBondContact O-N 3.41Å; S24-I27 PolarHBondContact O-N 2.91Å; S24-I27 VanDerWaalsContact O-N 3.08Å; S24-S28 PolarHBondContact O-N 2.97Å; S24-S28 PolarHBondContact O-OG 3.2Å; S24-S28 VanDerWaalsContact O-OG 3.09Å; S24-S290 VanDerWaalsContact OG-CB 3.3Å; S24-S290 WeakPolarHBondContact OG-CB 3.37Å; S24-I291 PolarHBondContact OG-N 3.08Å
25P76.6Confident85.8Confident95 Ų9586.3 Ų86.362%0.61745%0.446SS*.Hα-helixtrans-62.2-23.2178.6-23.134.2000114.7Y21 M22 I23 I27Y21-P25 VanDerWaalsContact O-CD 3.31Å; Y21-P25 WeakPolarHBondContact O-CD 3.28Å; M22-P25 WeakPolarHBondContact O-CD 3.39Å; I23-P25 VanDerWaalsContact C-CD 3.45Å; P25-I27 VanDerWaalsContact C-N 3.27Å
26L73.8Confident86.3Confident147 Ų14785.4 Ų85.477%0.7744%0.442SS*.Hα-helixtrans-74.4-21178.1-64.2167.6000112.3I23 S24I23-L26 WeakPolarHBondContact O-CB 3.34Å; I23-L26 PolarHBondContact O-N 3.26Å; S24-L26 PolarHBondContact O-N 3.41Å
27I77.4Confident86.9Confident113 Ų11379.8 Ų79.858%0.57942%0.418SS*.Hα-helixtrans-107.6-20.8-175.9-53.1168.8000110.6I23 S24 P25 I291I23-I27 HydrophobicContact CG2-CD1 3.82Å; I23-I27 HydrophobicContact CG2-CG1 4.42Å; S24-I27 PolarHBondContact O-N 2.91Å; S24-I27 VanDerWaalsContact O-N 3.08Å; P25-I27 VanDerWaalsContact C-N 3.27Å; I27-I291 HydrophobicContact CD1-CD1 3.99Å
28S81Confident87.6Confident41 Ų4176.7 Ų76.729%0.28740%0.399SS..SBendtrans-70.1145.4178.5-66.50000112.7S24 T289S24-S28 PolarHBondContact O-N 2.97Å; S24-S28 PolarHBondContact O-OG 3.2Å; S24-S28 VanDerWaalsContact O-OG 3.09Å; S28-T289 PolarHBondContact OG-O 3.26Å; S28-T289 VanDerWaalsContact OG-O 3.14Å
29P86.4Confident88.3Confident15 Ų1571.9 Ų71.910%0.09737%0.374CS..PPolyproline II helixtrans-49.4142170.711.5-26.4000113.6Y214 Q264P29-Y214 HydrophobicContact CB-CD1 3.96Å; P29-Y214 HydrophobicContact CB-CD2 4.11Å; P29-Y214 HydrophobicContact CB-CE1 3.6Å; P29-Y214 HydrophobicContact CB-CE2 3.77Å; P29-Y214 HydrophobicContact CB-CG 4.2Å; P29-Y214 HydrophobicContact CG-CD1 4.07Å; P29-Y214 HydrophobicContact CG-CE1 3.86Å; P29-Q264 VanDerWaalsContact CB-O 3.24Å; P29-Q264 WeakPolarHBondContact CB-O 3.08Å; P29-Q264 WeakPolarHBondContact CG-O 3.47Å
30K88.9Confident89Confident176 Ų17667.8 Ų67.877%0.76535%0.353SS*.PPolyproline II helixtrans-70.4127.2164.8-70.3-175.7-178.3177.60109.2R171K30-R171 PolarHBondContact O-NH2 2.87Å
31P94.4Very high89.8Confident84 Ų8466.5 Ų66.555%0.54535%0.346SS..PPolyproline II helixtrans-59.7141.9-179.5-25.234.3000113.1V263P31-V263 WeakPolarHBondContact CA-O 3.36Å; P31-V263 HydrophobicContact CB-CG1 4.11Å
32L96.9Very high90.6Very high14 Ų1459 Ų597%0.07332%0.317CS..PPolyproline II helixtrans-71.4131.6170.7-179.567.5000109.8L34 D120 M121 M169 R171 V263L32-L34 HydrophobicContact CD2-CD2 4.09Å; L32-D120 HydrophobicContact CD1-CB 4.38Å; L32-D120 HydrophobicContact CD2-CB 4.39Å; L32-M121 HydrophobicContact CD2-CB 3.92Å; L32-M121 HydrophobicContact CD2-SD 4.25Å; L32-M169 HydrophobicContact CD1-CG 4.47Å; L32-M169 HydrophobicContact CD1-SD 4.27Å; L32-R171 HydrophobicContact CB-CG 4.04Å; L32-R171 HydrophobicContact CD2-CB 4.29Å; L32-R171 HydrophobicContact CD2-CG 3.77Å; L32-R171 HydrophobicContact CG-CG 4.47Å; L32-V263 PolarHBondContact N-O 2.84Å; L32-V263 WeakPolarHBondContact O-CG1 3.24Å
33K97.3Very high91.3Very high181 Ų18153.1 Ų53.179%0.78729%0.291SS*.PPolyproline II helixtrans-84.2118.8171.2-65.8-176.6-179.4-178.90108.7A37K33-A37 WeakPolarHBondContact O-CB 3.5Å
34L97.9Very high92.1Very high6 Ų650.2 Ų50.23%0.03128%0.276CS..  trans-77.3-24-179.9-70.8-174.9000114L32 G36 A37 V39 C56 Q59 G60 A61 M121 V259 V263L32-L34 HydrophobicContact CD2-CD2 4.09Å; L34-G36 PolarHBondContact O-N 3.47Å; L34-G36 VanDerWaalsContact O-N 3.08Å; L34-A37 WeakPolarHBondContact O-CB 3.33Å; L34-A37 PolarHBondContact O-N 3.43Å; L34-V39 HydrophobicContact CD2-CG2 4.09Å; L34-C56 HydrophobicContact CD1-CB 4.32Å; L34-Q59 HydrophobicContact CB-CB 3.87Å; L34-Q59 HydrophobicContact CD1-CB 3.95Å; L34-Q59 HydrophobicContact CD1-CG 4.41Å; L34-G60 CarbonylContact O-C 3.49Å; L34-A61 WeakPolarHBondContact O-CA 3.38Å; L34-A61 PolarHBondContact O-N 3.39Å; L34-M121 HydrophobicContact CD2-SD 4.03Å; L34-V259 HydrophobicContact CD1-CG1 3.7Å; L34-V263 HydrophobicContact CD1-CG2 3.74Å; L34-V263 HydrophobicContact CD2-CG2 3.97Å; L34-V263 HydrophobicContact CG-CG2 3.71Å
35N97.7Very high93Very high115 Ų11550.7 Ų50.762%0.61528%0.28SS*.THydrogen-bonded Turntrans-61.6115.5177.2-175.426000110.9A37 Q59N35-A37 VanDerWaalsContact C-N 3.25Å; N35-A37 PolarHBondContact O-N 2.91Å; N35-Q59 WeakPolarHBondContact CA-O 3.45Å; N35-Q59 PolarHBondContact N-O 3.49Å
36G97.4Very high94Very high36 Ų3648.7 Ų48.737%0.37127%0.268SS..THydrogen-bonded Turntrans763-175.100000115.2L34 G60 F62L34-G36 PolarHBondContact O-N 3.47Å; L34-G36 VanDerWaalsContact O-N 3.08Å; G36-G60 PolarHBondContact N-O 2.81Å; G36-F62 WeakPolarHBondContact O-CD2 3.33Å; G36-F62 WeakPolarHBondContact O-CE2 3.35Å
37A98.3Very high95.2Very high4 Ų442.3 Ų42.33%0.03324%0.238CC..  trans-78.2144176.600000111.2K33 L34 N35 A61 F62 D120K33-A37 WeakPolarHBondContact O-CB 3.5Å; L34-A37 WeakPolarHBondContact O-CB 3.33Å; L34-A37 PolarHBondContact O-N 3.43Å; N35-A37 VanDerWaalsContact C-N 3.25Å; N35-A37 PolarHBondContact O-N 2.91Å; A37-A61 CarbonylContact O-C 3.52Å; A37-A61 WeakPolarHBondContact O-CA 3.3Å; A37-A61 WeakPolarHBondContact O-CB 3.31Å; A37-F62 PolarHBondContact O-N 3.29Å; A37-D120 VanDerWaalsContact CA-OD2 3.3Å; A37-D120 WeakPolarHBondContact CA-OD2 3.5Å; A37-D120 HydrophobicContact CB-CB 4.05Å
38H98.8Very high96.2Very high2 Ų238 Ų381%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-89.8115.2172.5-179.8-161.9000110.7T64 G117 D120 M121H38-T64 PolarHBondContact NE2-OG1 3.48Å; H38-G117 PolarHBondContact ND1-O 3.08Å; H38-D120 PolarHBondContact N-OD2 3.48Å; H38-D120 PolarHBondContact O-N 3.25Å; H38-M121 PolarHBondContact O-N 2.95Å
39V98.9Very high97Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-109.3122.6178-1730000110.3L34 V41 C56 A61 F62 I63 T64 M121 I123L34-V39 HydrophobicContact CD2-CG2 4.09Å; V39-V41 HydrophobicContact CG1-CG2 3.96Å; V39-C56 HydrophobicContact CG1-CB 4.46Å; V39-C56 HydrophobicContact CG2-CB 4.21Å; V39-A61 HydrophobicContact CG2-CB 3.74Å; V39-F62 PolarHBondContact N-O 2.87Å; V39-I63 HydrophobicContact CB-CD1 3.87Å; V39-I63 HydrophobicContact CG1-CD1 4.48Å; V39-I63 HydrophobicContact CG2-CD1 4.39Å; V39-I63 CarbonylContact O-C 3.59Å; V39-I63 WeakPolarHBondContact O-CA 3.37Å; V39-T64 PolarHBondContact O-N 3.17Å; V39-M121 CarbonylContact C-O 3.37Å; V39-M121 VanDerWaalsContact CA-O 3.28Å; V39-M121 WeakPolarHBondContact CA-O 3.39Å; V39-M121 HydrophobicContact CB-CB 4.5Å; V39-M121 HydrophobicContact CG1-CB 4.19Å; V39-M121 HydrophobicContact CG1-CG 4.24Å; V39-M121 HydrophobicContact CG2-CB 4.12Å; V39-I123 HydrophobicContact CG1-CG1 4.05Å
40V98.9Very high97.6Very high1 Ų137.7 Ų37.71%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-99.8129.8172.6179.20000109.1T64 V66 V119 M121 L122 I123V40-T64 WeakPolarHBondContact CA-O 3.28Å; V40-V66 HydrophobicContact CG1-CG2 3.74Å; V40-V119 HydrophobicContact CB-CG1 4.19Å; V40-V119 HydrophobicContact CG2-CB 4.27Å; V40-V119 HydrophobicContact CG2-CG1 3.76Å; V40-V119 HydrophobicContact CG2-CG2 3.47Å; V40-V119 VanDerWaalsContact CG2-CG2 3.47Å; V40-M121 PolarHBondContact N-O 3.18Å; V40-L122 HydrophobicContact CB-CD1 3.97Å; V40-L122 HydrophobicContact CG1-CD1 3.92Å; V40-I123 PolarHBondContact O-N 3.26Å
41V98.9Very high98.1Very high0 Ų029.6 Ų29.60%017%0.174CC..EExtended strand (participates in β ladder)trans-125.2108.4-179.6-172.20000110.8V39 G44 G49 A53 T64 V66 I123V39-V41 HydrophobicContact CG1-CG2 3.96Å; V41-G44 PolarHBondContact O-N 3.28Å; V41-G49 WeakPolarHBondContact CG1-O 3.12Å; V41-A53 HydrophobicContact CG2-CB 4.13Å; V41-T64 PolarHBondContact N-O 3.47Å; V41-V66 PolarHBondContact O-N 3.12Å; V41-I123 HydrophobicContact CB-CB 4.38Å; V41-I123 HydrophobicContact CG1-CB 4.13Å; V41-I123 HydrophobicContact CG1-CG2 4.27Å; V41-I123 HydrophobicContact CG2-CB 4.16Å; V41-I123 HydrophobicContact CG2-CG1 4.01Å
42T98.8Very high98.3Very high1 Ų125.6 Ų25.61%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-76.9144.4169.976.90000110.4G44 V66 V98 I123 N124 C125 A126 P156T42-G44 PolarHBondContact O-N 3.22Å; T42-V66 CarbonylContact C-O 3.5Å; T42-V66 WeakPolarHBondContact CA-O 3.18Å; T42-V66 HydrophobicContact CG2-CB 4.28Å; T42-V98 HydrophobicContact CG2-CG1 4.2Å; T42-I123 PolarHBondContact N-O 2.92Å; T42-I123 PolarHBondContact OG1-O 3.27Å; T42-N124 WeakPolarHBondContact OG1-CA 3.44Å; T42-C125 CarbonylContact O-C 3.52Å; T42-C125 WeakPolarHBondContact O-CA 3.48Å; T42-C125 VanDerWaalsContact O-CB 3.22Å; T42-C125 WeakPolarHBondContact O-CB 3.39Å; T42-C125 PolarHBondContact O-N 3.45Å; T42-C125 PolarHBondContact OG1-N 3.15Å; T42-A126 PolarHBondContact O-N 3.46Å; T42-A126 PolarHBondContact OG1-N 3.41Å; T42-A126 VanDerWaalsContact OG1-N 3.09Å; T42-P156 HydrophobicContact CG2-CB 4.15Å; T42-P156 HydrophobicContact CG2-CG 3.9Å
43G98.3Very high98.4Very high15 Ų1525 Ų2516%0.15514%0.144CC..THydrogen-bonded Turntrans68.717.3-169.300000113S45 V66G43-S45 PolarHBondContact O-N 3.48Å; G43-S45 VanDerWaalsContact O-N 3.08Å; G43-V66 PolarHBondContact N-O 3.36Å
44G97.9Very high98.5Very high0 Ų016.7 Ų16.70%011%0.109CC..THydrogen-bonded Turntrans-68.8-4.1-174.400000115.5V41 T42 K50 V66V41-G44 PolarHBondContact O-N 3.28Å; T42-G44 PolarHBondContact O-N 3.22Å; G44-K50 WeakPolarHBondContact O-CA 3.45Å; G44-K50 WeakPolarHBondContact O-CB 3.43Å; G44-V66 PolarHBondContact N-O 2.91Å
45S98.3Very high98.5Very high19 Ų1917.7 Ų17.713%0.13311%0.113CC..THydrogen-bonded Turntrans-82.3-13.1-178.764.50000114.3G43 A67G43-S45 PolarHBondContact O-N 3.48Å; G43-S45 VanDerWaalsContact O-N 3.08Å; S45-A67 WeakPolarHBondContact OG-CB 3.38Å
46S98.1Very high98.6Very high53 Ų5312.2 Ų12.237%0.3718%0.084SC..SBendtrans-156.8171.2-178.869.40000113.5G49 K50S46-G49 PolarHBondContact O-N 2.84Å; S46-K50 PolarHBondContact O-N 2.9Å; S46-K50 VanDerWaalsContact O-N 3.08Å
47G98Very high98.6Very high12 Ų1210.8 Ų10.812%0.1247%0.067CC..Hα-helixtrans53.2-136.9168.700000115.4G49 K50 S51G47-G49 PolarHBondContact O-N 2.94Å; G47-K50 PolarHBondContact O-N 2.87Å; G47-S51 PolarHBondContact O-N 2.88Å; G47-S51 VanDerWaalsContact O-N 3.17Å; G47-S51 PolarHBondContact O-OG 2.93Å
48I98.6Very high98.6Very high23 Ų2314.5 Ų14.512%0.1188%0.081CC..Hα-helixtrans-59.9-44.4-179-64.1169.2000111K50 S51 I52 P220 T223 T225 V254 F258I48-K50 PolarHBondContact O-N 2.94Å; I48-S51 PolarHBondContact O-N 3.35Å; I48-S51 VanDerWaalsContact O-N 3.09Å; I48-I52 HydrophobicContact CG2-CD1 3.66Å; I48-I52 HydrophobicContact CG2-CG1 4.14Å; I48-I52 WeakPolarHBondContact O-CG1 3.44Å; I48-I52 PolarHBondContact O-N 3.49Å; I48-P220 HydrophobicContact CD1-CB 3.75Å; I48-P220 HydrophobicContact CD1-CG 4.06Å; I48-T223 HydrophobicContact CD1-CG2 4.14Å; I48-T223 HydrophobicContact CG1-CG2 3.86Å; I48-T225 HydrophobicContact CG1-CG2 4.32Å; I48-V254 HydrophobicContact CD1-CG1 4.4Å; I48-V254 HydrophobicContact CG1-CG1 4.49Å; I48-V254 HydrophobicContact CG2-CG1 4.29Å; I48-F258 HydrophobicContact CG2-CD2 4.43Å; I48-F258 HydrophobicContact CG2-CE2 4.47Å
49G98.7Very high98.6Very high1 Ų118 Ų181%0.0110%0.097CC..Hα-helixtrans-58.8-47.7-178.900000112.5V41 S46 G47 S51 I52 A53 C125V41-G49 WeakPolarHBondContact CG1-O 3.12Å; S46-G49 PolarHBondContact O-N 2.84Å; G47-G49 PolarHBondContact O-N 2.94Å; G49-S51 VanDerWaalsContact C-N 3.29Å; G49-S51 PolarHBondContact O-N 3.01Å; G49-I52 PolarHBondContact O-N 2.87Å; G49-A53 PolarHBondContact O-N 2.92Å; G49-C125 VanDerWaalsContact CA-SG 3.58Å; G49-C125 PolarHBondContact N-SG 3.23Å; G49-C125 VanDerWaalsContact N-SG 3.42Å
50K98.8Very high98.6Very high48 Ų4818 Ų1821%0.20910%0.097CC..Hα-helixtrans-59.3-41.5174.2-175.3-178.866.8171.50111.9G44 S46 G47 I48 A53 V54 A76 E79G44-K50 WeakPolarHBondContact O-CA 3.45Å; G44-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 PolarHBondContact O-N 2.9Å; S46-K50 VanDerWaalsContact O-N 3.08Å; G47-K50 PolarHBondContact O-N 2.87Å; I48-K50 PolarHBondContact O-N 2.94Å; K50-A53 WeakPolarHBondContact O-CB 3.5Å; K50-A53 PolarHBondContact O-N 2.71Å; K50-V54 WeakPolarHBondContact O-CG2 3.26Å; K50-V54 PolarHBondContact O-N 3.27Å; K50-A76 HydrophobicContact CD-CB 3.93Å; K50-A76 HydrophobicContact CG-CB 4.2Å; K50-E79 WeakPolarHBondContact CE-OE2 3.03Å; K50-E79 IonicContact NZ-OE1 3.6Å; K50-E79 IonicContact NZ-OE2 3.29Å; K50-E79 PolarHBondContact NZ-OE2 3.05Å
51S98.9Very high98.5Very high7 Ų718 Ų185%0.04910%0.097CC..Hα-helixtrans-70-36.6-177.5-49.40000111.9G47 I48 G49 V54 E55 P251 D252 A255G47-S51 PolarHBondContact O-N 2.88Å; G47-S51 VanDerWaalsContact O-N 3.17Å; G47-S51 PolarHBondContact O-OG 2.93Å; I48-S51 PolarHBondContact O-N 3.35Å; I48-S51 VanDerWaalsContact O-N 3.09Å; G49-S51 VanDerWaalsContact C-N 3.29Å; G49-S51 PolarHBondContact O-N 3.01Å; S51-V54 PolarHBondContact O-N 3.4Å; S51-E55 WeakPolarHBondContact O-CB 3.49Å; S51-E55 PolarHBondContact O-N 2.96Å; S51-P251 WeakPolarHBondContact OG-CB 3.32Å; S51-D252 WeakPolarHBondContact CB-OD1 3.41Å; S51-A255 VanDerWaalsContact C-CB 3.4Å; S51-A255 WeakPolarHBondContact O-CB 3.27Å
52I98.9Very high98.5Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-61.7-44.6169.6-70.1170000110.4I48 G49 V54 E55 C56 I123 M173 V175 A255 F258 V259I48-I52 HydrophobicContact CG2-CD1 3.66Å; I48-I52 HydrophobicContact CG2-CG1 4.14Å; I48-I52 WeakPolarHBondContact O-CG1 3.44Å; I48-I52 PolarHBondContact O-N 3.49Å; G49-I52 PolarHBondContact O-N 2.87Å; I52-V54 PolarHBondContact O-N 2.77Å; I52-E55 PolarHBondContact O-N 3.22Å; I52-C56 PolarHBondContact O-N 3.36Å; I52-C56 PolarHBondContact O-SG 2.81Å; I52-I123 HydrophobicContact CD1-CG2 3.99Å; I52-I123 HydrophobicContact CG2-CD1 4.38Å; I52-I123 HydrophobicContact CG2-CG1 3.96Å; I52-I123 HydrophobicContact CG2-CG2 4.14Å; I52-M173 HydrophobicContact CD1-SD 4.16Å; I52-V175 HydrophobicContact CD1-CG2 4.26Å; I52-A255 HydrophobicContact CB-CB 4.48Å; I52-A255 HydrophobicContact CG1-CB 3.86Å; I52-F258 HydrophobicContact CD1-CD2 4.24Å; I52-V259 HydrophobicContact CB-CG2 4.45Å; I52-V259 HydrophobicContact CG2-CG2 3.82Å
53A98.9Very high98.5Very high0 Ų020.1 Ų20.10%011%0.107CC..Hα-helixtrans-61-43.7176.900000112.2V41 G49 K50 C56 Y57 I63 L65 V80V41-A53 HydrophobicContact CG2-CB 4.13Å; G49-A53 PolarHBondContact O-N 2.92Å; K50-A53 WeakPolarHBondContact O-CB 3.5Å; K50-A53 PolarHBondContact O-N 2.71Å; A53-C56 PolarHBondContact O-N 3.26Å; A53-Y57 VanDerWaalsContact O-CB 3.27Å; A53-Y57 WeakPolarHBondContact O-CB 3.33Å; A53-Y57 PolarHBondContact O-N 2.93Å; A53-I63 HydrophobicContact CB-CG2 4.02Å; A53-L65 HydrophobicContact CB-CD2 3.51Å; A53-V80 HydrophobicContact CB-CG2 4.24Å
54V98.8Very high98.6Very high8 Ų819.5 Ų19.55%0.04810%0.099CC..Hα-helixtrans-57.6-48.7173.4166.90000111K50 S51 I52 Y57 R58 V80 Y83K50-V54 WeakPolarHBondContact O-CG2 3.26Å; K50-V54 PolarHBondContact O-N 3.27Å; S51-V54 PolarHBondContact O-N 3.4Å; I52-V54 PolarHBondContact O-N 2.77Å; V54-Y57 PolarHBondContact O-N 3.06Å; V54-R58 VanDerWaalsContact CG1-CZ 3.41Å; V54-R58 WeakPolarHBondContact O-CG 3.4Å; V54-R58 PolarHBondContact O-N 3.01Å; V54-V80 HydrophobicContact CG2-CB 4.48Å; V54-V80 HydrophobicContact CG2-CG2 3.82Å; V54-Y83 HydrophobicContact CB-CD2 4.41Å; V54-Y83 HydrophobicContact CG1-CD2 3.54Å; V54-Y83 HydrophobicContact CG1-CE2 3.62Å; V54-Y83 HydrophobicContact CG1-CG 4.01Å; V54-Y83 HydrophobicContact CG2-CD2 4.12Å; V54-Y83 HydrophobicContact CG2-CE2 4.1Å
55E98.8Very high98.6Very high26 Ų2619.5 Ų19.512%0.12110%0.099CC..Hα-helixtrans-63.7-43.9-178.7179.158.2-155.500112.2S51 I52 Y57 R58 Q59 A255 V259S51-E55 WeakPolarHBondContact O-CB 3.49Å; S51-E55 PolarHBondContact O-N 2.96Å; I52-E55 PolarHBondContact O-N 3.22Å; E55-Y57 VanDerWaalsContact C-N 3.34Å; E55-Y57 PolarHBondContact O-N 3.36Å; E55-R58 PolarHBondContact O-N 3.08Å; E55-R58 IonicContact OE2-NH1 3.77Å; E55-Q59 WeakPolarHBondContact O-CG 3.47Å; E55-Q59 PolarHBondContact O-N 3.16Å; E55-Q59 PolarHBondContact OE1-NE2 3.02Å; E55-A255 HydrophobicContact CB-CB 4.42Å; E55-V259 HydrophobicContact CB-CG2 4.05Å; E55-V259 HydrophobicContact CG-CB 3.85Å; E55-V259 HydrophobicContact CG-CG1 4.06Å; E55-V259 HydrophobicContact CG-CG2 3.83Å
56C98.8Very high98.6Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-62.7-41.3174.4-710000112L34 V39 I52 A53 Q59 A61 I63L34-C56 HydrophobicContact CD1-CB 4.32Å; V39-C56 HydrophobicContact CG1-CB 4.46Å; V39-C56 HydrophobicContact CG2-CB 4.21Å; I52-C56 PolarHBondContact O-N 3.36Å; I52-C56 PolarHBondContact O-SG 2.81Å; A53-C56 PolarHBondContact O-N 3.26Å; C56-Q59 PolarHBondContact O-N 3.38Å; C56-Q59 VanDerWaalsContact O-N 3.12Å; C56-A61 HydrophobicContact CB-CB 4.21Å; C56-A61 VanDerWaalsContact O-CB 3.26Å; C56-A61 WeakPolarHBondContact O-CB 3.45Å; C56-A61 PolarHBondContact O-N 3.4Å; C56-I63 HydrophobicContact CB-CD1 3.77Å
57Y98.7Very high98.6Very high6 Ų616.8 Ų16.82%0.0248%0.081CC..Hα-helixtrans-65.5-39.9179.4-164.5-111.6000112A53 V54 E55 Q59 G60 A61 I63 V80 A84 Q89 V91A53-Y57 VanDerWaalsContact O-CB 3.27Å; A53-Y57 WeakPolarHBondContact O-CB 3.33Å; A53-Y57 PolarHBondContact O-N 2.93Å; V54-Y57 PolarHBondContact O-N 3.06Å; E55-Y57 VanDerWaalsContact C-N 3.34Å; E55-Y57 PolarHBondContact O-N 3.36Å; Y57-Q59 PolarHBondContact O-N 3Å; Y57-Q59 VanDerWaalsContact O-N 3.11Å; Y57-G60 PolarHBondContact O-N 2.85Å; Y57-A61 VanDerWaalsContact CD2-O 3.28Å; Y57-A61 WeakPolarHBondContact CD2-O 3.48Å; Y57-I63 HydrophobicContact CD2-CG1 3.72Å; Y57-I63 HydrophobicContact CG-CG1 4.28Å; Y57-V80 HydrophobicContact CD1-CG1 3.82Å; Y57-V80 WeakPolarHBondContact CD1-O 3.13Å; Y57-V80 HydrophobicContact CD2-CG1 4.12Å; Y57-V80 HydrophobicContact CE1-CG1 4.42Å; Y57-V80 WeakPolarHBondContact CE1-O 3.28Å; Y57-V80 HydrophobicContact CG-CG1 3.63Å; Y57-A84 HydrophobicContact CE1-CB 3.7Å; Y57-A84 VanDerWaalsContact CE1-N 3.33Å; Y57-Q89 HydrophobicContact CD2-CB 4.34Å; Y57-Q89 HydrophobicContact CE2-CB 3.47Å; Y57-Q89 VanDerWaalsContact CE2-CB 3.47Å; Y57-Q89 HydrophobicContact CE2-CG 4.38Å; Y57-Q89 PolarHBondContact O-NE2 3.05Å; Y57-Q89 WeakPolarHBondContact OH-CB 3.41Å; Y57-Q89 PolarHBondContact OH-O 3.48Å; Y57-Q89 VanDerWaalsContact OH-O 3.11Å; Y57-V91 HydrophobicContact CD2-CG2 4.02Å; Y57-V91 HydrophobicContact CE2-CG2 3.55Å
58R98.3Very high98.6Very high83 Ų8323 Ų2331%0.31310%0.101SC..Hα-helixtrans-57.3-26.1172.4-76176.4-177.1147.6-2.1113.2V54 E55 G60 Y83 I85V54-R58 VanDerWaalsContact CG1-CZ 3.41Å; V54-R58 WeakPolarHBondContact O-CG 3.4Å; V54-R58 PolarHBondContact O-N 3.01Å; E55-R58 PolarHBondContact O-N 3.08Å; E55-R58 IonicContact OE2-NH1 3.77Å; R58-G60 VanDerWaalsContact C-N 3.34Å; R58-Y83 HydrophobicContact CG-CD1 4.17Å; R58-Y83 HydrophobicContact CG-CG 4.11Å; R58-Y83 PolarHBondContact NH2-OH 3.23Å; R58-I85 WeakPolarHBondContact O-CG2 3.43Å
59Q98.2Very high98.5Very high74 Ų7424.8 Ų24.835%0.34611%0.11SC..THydrogen-bonded Turntrans-91.98.6178.7-61.9-17443.900113.6L34 N35 E55 C56 Y57L34-Q59 HydrophobicContact CB-CB 3.87Å; L34-Q59 HydrophobicContact CD1-CB 3.95Å; L34-Q59 HydrophobicContact CD1-CG 4.41Å; N35-Q59 WeakPolarHBondContact CA-O 3.45Å; N35-Q59 PolarHBondContact N-O 3.49Å; E55-Q59 WeakPolarHBondContact O-CG 3.47Å; E55-Q59 PolarHBondContact O-N 3.16Å; E55-Q59 PolarHBondContact OE1-NE2 3.02Å; C56-Q59 PolarHBondContact O-N 3.38Å; C56-Q59 VanDerWaalsContact O-N 3.12Å; Y57-Q59 PolarHBondContact O-N 3Å; Y57-Q59 VanDerWaalsContact O-N 3.11Å
60G98.3Very high98.4Very high1 Ų130.7 Ų30.71%0.0114%0.138CC..THydrogen-bonded Turntrans95.69.2173.700000115.3L34 G36 Y57 R58 Q89L34-G60 CarbonylContact O-C 3.49Å; G36-G60 PolarHBondContact N-O 2.81Å; Y57-G60 PolarHBondContact O-N 2.85Å; R58-G60 VanDerWaalsContact C-N 3.34Å; G60-Q89 VanDerWaalsContact CA-NE2 3.25Å
61A98.6Very high98.4Very high0 Ų034.3 Ų34.30%016%0.156CC..  trans-71.8156.4-179.700000113.2L34 A37 V39 C56 Y57 I63 Q89L34-A61 WeakPolarHBondContact O-CA 3.38Å; L34-A61 PolarHBondContact O-N 3.39Å; A37-A61 CarbonylContact O-C 3.52Å; A37-A61 WeakPolarHBondContact O-CA 3.3Å; A37-A61 WeakPolarHBondContact O-CB 3.31Å; V39-A61 HydrophobicContact CG2-CB 3.74Å; C56-A61 HydrophobicContact CB-CB 4.21Å; C56-A61 VanDerWaalsContact O-CB 3.26Å; C56-A61 WeakPolarHBondContact O-CB 3.45Å; C56-A61 PolarHBondContact O-N 3.4Å; Y57-A61 VanDerWaalsContact CD2-O 3.28Å; Y57-A61 WeakPolarHBondContact CD2-O 3.48Å; A61-I63 HydrophobicContact CB-CD1 3.98Å; A61-Q89 PolarHBondContact O-NE2 3.19Å
62F98.7Very high98.4Very high47 Ų4739 Ų3921%0.20618%0.175CC..EExtended strand (participates in β ladder)trans-87.9138.3157.9-50.9-52.5000108.8G36 A37 V39 K88 L116G36-F62 WeakPolarHBondContact O-CD2 3.33Å; G36-F62 WeakPolarHBondContact O-CE2 3.35Å; A37-F62 PolarHBondContact O-N 3.29Å; V39-F62 PolarHBondContact N-O 2.87Å; F62-K88 WeakPolarHBondContact CE1-O 3.4Å; F62-L116 HydrophobicContact CB-CD1 4.18Å
63I98.8Very high98.4Very high0 Ų039 Ų390%018%0.175CC..EExtended strand (participates in β ladder)trans-118.4134.5-173.9-56.5-60000110.5V39 A53 C56 Y57 A61 L65 V90 V91 L92V39-I63 HydrophobicContact CB-CD1 3.87Å; V39-I63 HydrophobicContact CG1-CD1 4.48Å; V39-I63 HydrophobicContact CG2-CD1 4.39Å; V39-I63 CarbonylContact O-C 3.59Å; V39-I63 WeakPolarHBondContact O-CA 3.37Å; A53-I63 HydrophobicContact CB-CG2 4.02Å; C56-I63 HydrophobicContact CB-CD1 3.77Å; Y57-I63 HydrophobicContact CD2-CG1 3.72Å; Y57-I63 HydrophobicContact CG-CG1 4.28Å; A61-I63 HydrophobicContact CB-CD1 3.98Å; I63-L65 HydrophobicContact CG2-CD2 3.5Å; I63-L65 HydrophobicContact CG2-CG 3.92Å; I63-V90 PolarHBondContact N-O 3.21Å; I63-V91 HydrophobicContact CB-CG1 4.37Å; I63-V91 HydrophobicContact CB-CG2 4.36Å; I63-V91 HydrophobicContact CG2-CG1 4.42Å; I63-V91 CarbonylContact O-C 3.4Å; I63-V91 WeakPolarHBondContact O-CA 3.32Å; I63-L92 PolarHBondContact O-N 3Å
64T98.9Very high98.3Very high1 Ų143 Ų431%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-109.9115.8158.6-64.90000109.1H38 V39 V40 V41 V66 L92 V94 A112H38-T64 PolarHBondContact NE2-OG1 3.48Å; V39-T64 PolarHBondContact O-N 3.17Å; V40-T64 WeakPolarHBondContact CA-O 3.28Å; V41-T64 PolarHBondContact N-O 3.47Å; T64-V66 HydrophobicContact CG2-CG2 3.98Å; T64-L92 CarbonylContact C-O 3.58Å; T64-L92 WeakPolarHBondContact CA-O 3.33Å; T64-L92 HydrophobicContact CG2-CB 4.47Å; T64-L92 HydrophobicContact CG2-CD2 4.26Å; T64-V94 HydrophobicContact CG2-CB 4.36Å; T64-V94 HydrophobicContact CG2-CG2 3.73Å; T64-A112 HydrophobicContact CG2-CB 3.89Å
65L98.9Very high98.3Very high0 Ų049.6 Ų49.60%022%0.22CC..EExtended strand (participates in β ladder)trans-88.2126.7172.7-58179.4000109.6A53 I63 L73 A76 K77 V80 V91 L92 V94A53-L65 HydrophobicContact CB-CD2 3.51Å; I63-L65 HydrophobicContact CG2-CD2 3.5Å; I63-L65 HydrophobicContact CG2-CG 3.92Å; L65-L73 HydrophobicContact CB-CD2 3.54Å; L65-A76 HydrophobicContact CD1-CB 4.06Å; L65-K77 HydrophobicContact CD1-CB 4.33Å; L65-V80 HydrophobicContact CD1-CG2 4.43Å; L65-V91 HydrophobicContact CD1-CG1 3.85Å; L65-V91 HydrophobicContact CG-CG1 3.96Å; L65-L92 PolarHBondContact N-O 3.15Å; L65-V94 PolarHBondContact O-N 3.24Å
66V98.7Very high98.3Very high4 Ų448.4 Ų48.42%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-119.5122.4179.6-171.30000109.7V40 V41 T42 G43 G44 T64 V94 V96 V98V40-V66 HydrophobicContact CG1-CG2 3.74Å; V41-V66 PolarHBondContact O-N 3.12Å; T42-V66 CarbonylContact C-O 3.5Å; T42-V66 WeakPolarHBondContact CA-O 3.18Å; T42-V66 HydrophobicContact CG2-CB 4.28Å; G43-V66 PolarHBondContact N-O 3.36Å; G44-V66 PolarHBondContact N-O 2.91Å; T64-V66 HydrophobicContact CG2-CG2 3.98Å; V66-V94 WeakPolarHBondContact CA-O 3.11Å; V66-V94 HydrophobicContact CG1-CG1 4.44Å; V66-V94 HydrophobicContact CG2-CB 4.28Å; V66-V96 HydrophobicContact CG1-CG1 3.44Å; V66-V96 VanDerWaalsContact CG1-CG1 3.44Å; V66-V98 HydrophobicContact CG1-CG1 4.01Å
67A98.1Very high98.3Very high11 Ų1151.1 Ų51.19%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-161.7175.9173.200000110.1S45 L73 V94 S95 V96S45-A67 WeakPolarHBondContact OG-CB 3.38Å; A67-L73 HydrophobicContact CB-CD1 4.17Å; A67-L73 HydrophobicContact CB-CD2 3.86Å; A67-L73 HydrophobicContact CB-CG 3.9Å; A67-V94 PolarHBondContact N-O 2.83Å; A67-S95 CarbonylContact O-C 3.6Å; A67-S95 WeakPolarHBondContact O-CA 3.31Å; A67-V96 CarbonylContact C-O 3.59Å; A67-V96 PolarHBondContact O-N 3.37Å
68R96.4Very high98.3Very high144 Ų14457.9 Ų57.954%0.54326%0.256SS..SBendtrans-87.1-28.6-177.6-61.3179.5-61.9-173.2-2.4114.4S95 V96 D97R68-S95 PolarHBondContact O-OG 2.92Å; R68-V96 WeakPolarHBondContact CG-O 3.35Å; R68-D97 WeakPolarHBondContact CD-OD2 3.42Å; R68-D97 HydrophobicContact CG-CB 3.83Å; R68-D97 IonicContact CZ-OD2 3.82Å; R68-D97 IonicContact NE-OD2 2.71Å; R68-D97 IonicContact NH1-OD1 2.94Å; R68-D97 IonicContact NH1-OD2 3.31Å; R68-D97 PolarHBondContact NH1-OD2 3.39Å
69D97.6Very high98.3Very high59 Ų5957.4 Ų57.432%0.31626%0.258SS..  trans-96.7104.9-173.6-176.9-36.3000108.7E71 K72 L73D69-E71 VanDerWaalsContact C-N 3.35Å; D69-E71 PolarHBondContact O-N 3.09Å; D69-E71 PolarHBondContact OD1-N 3.43Å; D69-K72 HydrophobicContact CB-CB 4.1Å; D69-K72 HydrophobicContact CB-CD 4.07Å; D69-K72 HydrophobicContact CB-CG 4.24Å; D69-K72 PolarHBondContact O-N 3.08Å; D69-K72 PolarHBondContact OD1-N 3.39Å; D69-K72 WeakPolarHBondContact OD2-CD 3.4Å; D69-K72 WeakPolarHBondContact OD2-CE 3.48Å; D69-K72 WeakPolarHBondContact OD2-CG 3.34Å; D69-K72 IonicContact OD2-NZ 3.31Å; D69-K72 PolarHBondContact OD2-NZ 3.43Å; D69-L73 WeakPolarHBondContact O-CG 3.47Å; D69-L73 PolarHBondContact O-N 3.35Å
70E97.4Very high98.3Very high125 Ų12553.9 Ų53.958%0.58424%0.241SC*.Hα-helixtrans-64.1-38.5-176.2-173.5171.9-171.500112.1K72 L73 L74E70-K72 PolarHBondContact O-N 3.08Å; E70-L73 WeakPolarHBondContact O-CB 3.48Å; E70-L73 PolarHBondContact O-N 2.99Å; E70-L74 HydrophobicContact CG-CD1 4.46Å; E70-L74 WeakPolarHBondContact O-CG 3.23Å; E70-L74 PolarHBondContact O-N 3.42Å
71E98.1Very high98.3Very high125 Ų12557.4 Ų57.458%0.58426%0.257SS*.Hα-helixtrans-64.8-44.4178.1-67.9-166.9-177.500111.7D69 L73 L74 R75D69-E71 VanDerWaalsContact C-N 3.35Å; D69-E71 PolarHBondContact O-N 3.09Å; D69-E71 PolarHBondContact OD1-N 3.43Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.44Å; E71-L74 PolarHBondContact O-N 2.93Å; E71-R75 WeakPolarHBondContact O-CG 3.37Å; E71-R75 PolarHBondContact O-N 2.93Å; E71-R75 IonicContact OE2-CZ 3.72Å; E71-R75 IonicContact OE2-NH2 2.66Å; E71-R75 PolarHBondContact OE2-NH2 2.81Å
72K98.2Very high98.3Very high105 Ų10565 Ų6546%0.45729%0.29SS..Hα-helixtrans-64-36.6175.7-71.1179.5-171.51600111.5D69 E70 R75 A76D69-K72 HydrophobicContact CB-CB 4.1Å; D69-K72 HydrophobicContact CB-CD 4.07Å; D69-K72 HydrophobicContact CB-CG 4.24Å; D69-K72 PolarHBondContact O-N 3.08Å; D69-K72 PolarHBondContact OD1-N 3.39Å; D69-K72 WeakPolarHBondContact OD2-CD 3.4Å; D69-K72 WeakPolarHBondContact OD2-CE 3.48Å; D69-K72 WeakPolarHBondContact OD2-CG 3.34Å; D69-K72 IonicContact OD2-NZ 3.31Å; D69-K72 PolarHBondContact OD2-NZ 3.43Å; E70-K72 PolarHBondContact O-N 3.08Å; K72-R75 PolarHBondContact O-N 2.9Å; K72-A76 VanDerWaalsContact O-CB 3.31Å; K72-A76 WeakPolarHBondContact O-CB 3.42Å; K72-A76 PolarHBondContact O-N 3.28Å
73L98.4Very high98.3Very high1 Ų167.2 Ų67.21%0.00530%0.298CS..Hα-helixtrans-60.2-48.2173.4-81.5169000111.8L65 A67 D69 E70 E71 R75 A76 K77 C93 V94L65-L73 HydrophobicContact CB-CD2 3.54Å; A67-L73 HydrophobicContact CB-CD1 4.17Å; A67-L73 HydrophobicContact CB-CD2 3.86Å; A67-L73 HydrophobicContact CB-CG 3.9Å; D69-L73 WeakPolarHBondContact O-CG 3.47Å; D69-L73 PolarHBondContact O-N 3.35Å; E70-L73 WeakPolarHBondContact O-CB 3.48Å; E70-L73 PolarHBondContact O-N 2.99Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.44Å; L73-R75 VanDerWaalsContact C-N 3.32Å; L73-R75 PolarHBondContact O-N 2.91Å; L73-A76 PolarHBondContact O-N 3.45Å; L73-K77 WeakPolarHBondContact O-CB 3.32Å; L73-K77 PolarHBondContact O-N 3.42Å; L73-C93 HydrophobicContact CB-CB 4.13Å; L73-V94 WeakPolarHBondContact CD1-O 3.21Å
74L98.4Very high98.2Very high84 Ų8469.5 Ų69.544%0.4432%0.317SS..Hα-helixtrans-64.8-36-180-68.1176.5000112.3E70 E71 K78E70-L74 HydrophobicContact CG-CD1 4.46Å; E70-L74 WeakPolarHBondContact O-CG 3.23Å; E70-L74 PolarHBondContact O-N 3.42Å; E71-L74 PolarHBondContact O-N 2.93Å; L74-K78 WeakPolarHBondContact O-CG 3.37Å; L74-K78 PolarHBondContact O-N 3.44Å
75R98.6Very high98.1Very high145 Ų14574.2 Ų74.255%0.54734%0.341SS..Hα-helixtrans-66.4-48.5173-66.7175.9-147.6-177.16.6111.3E71 K72 L73 K77 K78 E79E71-R75 WeakPolarHBondContact O-CG 3.37Å; E71-R75 PolarHBondContact O-N 2.93Å; E71-R75 IonicContact OE2-CZ 3.72Å; E71-R75 IonicContact OE2-NH2 2.66Å; E71-R75 PolarHBondContact OE2-NH2 2.81Å; K72-R75 PolarHBondContact O-N 2.9Å; L73-R75 VanDerWaalsContact C-N 3.32Å; L73-R75 PolarHBondContact O-N 2.91Å; R75-K77 VanDerWaalsContact C-N 3.31Å; R75-K77 PolarHBondContact O-N 2.8Å; R75-K78 PolarHBondContact O-N 2.84Å; R75-E79 PolarHBondContact O-N 3.28Å; R75-E79 VanDerWaalsContact O-N 3.12Å
76A98.6Very high97.8Very high2 Ų277 Ų772%0.01736%0.356CS..Hα-helixtrans-60-41.4177.500000111.8K50 L65 K72 L73 K78 E79 V80K50-A76 HydrophobicContact CD-CB 3.93Å; K50-A76 HydrophobicContact CG-CB 4.2Å; L65-A76 HydrophobicContact CD1-CB 4.06Å; K72-A76 VanDerWaalsContact O-CB 3.31Å; K72-A76 WeakPolarHBondContact O-CB 3.42Å; K72-A76 PolarHBondContact O-N 3.28Å; L73-A76 PolarHBondContact O-N 3.45Å; A76-K78 PolarHBondContact O-N 3.23Å; A76-E79 WeakPolarHBondContact O-CB 3.38Å; A76-E79 PolarHBondContact O-N 2.81Å; A76-E79 VanDerWaalsContact O-N 3.09Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 2.96Å
77K98.7Very high97.5Very high57 Ų5785.2 Ų85.225%0.24840%0.4CS..Hα-helixtrans-54.5-52.1173.4166.6169.1179.5166.30111.9L65 L73 R75 E79 V80 E81 V91 C93L65-K77 HydrophobicContact CD1-CB 4.33Å; L73-K77 WeakPolarHBondContact O-CB 3.32Å; L73-K77 PolarHBondContact O-N 3.42Å; R75-K77 VanDerWaalsContact C-N 3.31Å; R75-K77 PolarHBondContact O-N 2.8Å; K77-E79 PolarHBondContact O-N 3.15Å; K77-V80 PolarHBondContact O-N 3.08Å; K77-V80 VanDerWaalsContact O-N 3.14Å; K77-E81 VanDerWaalsContact CE-CD 3.5Å; K77-E81 WeakPolarHBondContact CE-OE1 3.42Å; K77-E81 HydrophobicContact CG-CG 4.31Å; K77-E81 IonicContact NZ-OE1 3.11Å; K77-E81 WeakPolarHBondContact O-CB 3.49Å; K77-E81 WeakPolarHBondContact O-CG 3.31Å; K77-E81 PolarHBondContact O-N 3.43Å; K77-V91 HydrophobicContact CB-CG1 4.05Å; K77-V91 HydrophobicContact CD-CB 4.41Å; K77-V91 HydrophobicContact CD-CG1 4.36Å; K77-V91 WeakPolarHBondContact CD-O 3.25Å; K77-V91 WeakPolarHBondContact CE-O 3.47Å; K77-V91 HydrophobicContact CG-CB 4.05Å; K77-V91 HydrophobicContact CG-CG1 3.9Å; K77-V91 PolarHBondContact NZ-O 3.08Å; K77-C93 VanDerWaalsContact CB-SG 3.58Å
78K98.5Very high97.3Very high147 Ų14792.7 Ų92.764%0.63943%0.43SS*.Hα-helixtrans-59.2-31.1177.4-70.8176.6-177.5-178.60112.7L74 R75 A76 K82L74-K78 WeakPolarHBondContact O-CG 3.37Å; L74-K78 PolarHBondContact O-N 3.44Å; R75-K78 PolarHBondContact O-N 2.84Å; A76-K78 PolarHBondContact O-N 3.23Å; K78-K82 WeakPolarHBondContact O-CG 3.19Å
79E98.3Very high97.3Very high74 Ų7486.5 Ų86.535%0.34641%0.407SS..Hα-helixtrans-75.6-41.7175.7-69.8176.9-147.900112.6K50 R75 A76 K77 K82 Y83K50-E79 WeakPolarHBondContact CE-OE2 3.03Å; K50-E79 IonicContact NZ-OE1 3.6Å; K50-E79 IonicContact NZ-OE2 3.29Å; K50-E79 PolarHBondContact NZ-OE2 3.05Å; R75-E79 PolarHBondContact O-N 3.28Å; R75-E79 VanDerWaalsContact O-N 3.12Å; A76-E79 WeakPolarHBondContact O-CB 3.38Å; A76-E79 PolarHBondContact O-N 2.81Å; A76-E79 VanDerWaalsContact O-N 3.09Å; K77-E79 PolarHBondContact O-N 3.15Å; E79-K82 WeakPolarHBondContact O-CB 3.26Å; E79-K82 PolarHBondContact O-N 3.48Å; E79-Y83 WeakPolarHBondContact O-CD2 3.28Å; E79-Y83 WeakPolarHBondContact O-CE2 3.42Å
80V98.7Very high97.3Very high0 Ų086.8 Ų86.80%041%0.411CS..Hα-helixtrans-63.6-45176.8175.30000110.5A53 V54 Y57 L65 A76 K77 K82 Y83 V91A53-V80 HydrophobicContact CB-CG2 4.24Å; V54-V80 HydrophobicContact CG2-CB 4.48Å; V54-V80 HydrophobicContact CG2-CG2 3.82Å; Y57-V80 HydrophobicContact CD1-CG1 3.82Å; Y57-V80 WeakPolarHBondContact CD1-O 3.13Å; Y57-V80 HydrophobicContact CD2-CG1 4.12Å; Y57-V80 HydrophobicContact CE1-CG1 4.42Å; Y57-V80 WeakPolarHBondContact CE1-O 3.28Å; Y57-V80 HydrophobicContact CG-CG1 3.63Å; L65-V80 HydrophobicContact CD1-CG2 4.43Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 2.96Å; K77-V80 PolarHBondContact O-N 3.08Å; K77-V80 VanDerWaalsContact O-N 3.14Å; V80-K82 PolarHBondContact O-N 2.89Å; V80-K82 VanDerWaalsContact O-N 3.09Å; V80-Y83 PolarHBondContact O-N 3.35Å; V80-V91 HydrophobicContact CB-CG2 4.23Å; V80-V91 HydrophobicContact CG1-CG2 3.68Å
81E98.3Very high97.3Very high74 Ų7480.9 Ų80.935%0.34638%0.383SS..G310 helixtrans-60.3-21.9-178.4-73.9175.9149.300113.6K77 Y83 A84 V91K77-E81 VanDerWaalsContact CE-CD 3.5Å; K77-E81 WeakPolarHBondContact CE-OE1 3.42Å; K77-E81 HydrophobicContact CG-CG 4.31Å; K77-E81 IonicContact NZ-OE1 3.11Å; K77-E81 WeakPolarHBondContact O-CB 3.49Å; K77-E81 WeakPolarHBondContact O-CG 3.31Å; K77-E81 PolarHBondContact O-N 3.43Å; E81-Y83 PolarHBondContact O-N 3.12Å; E81-Y83 VanDerWaalsContact O-N 3.12Å; E81-A84 PolarHBondContact O-N 3.47Å; E81-V91 HydrophobicContact CG-CB 4.1Å; E81-V91 HydrophobicContact CG-CG2 3.71Å
82K98.1Very high97.4Very high161 Ų16176.4 Ų76.470%0.736%0.363SS*.G310 helixtrans-62.7-17.3173.8-67.4172.4-174.21780113.6K78 E79 V80K78-K82 WeakPolarHBondContact O-CG 3.19Å; E79-K82 WeakPolarHBondContact O-CB 3.26Å; E79-K82 PolarHBondContact O-N 3.48Å; V80-K82 PolarHBondContact O-N 2.89Å; V80-K82 VanDerWaalsContact O-N 3.09Å
83Y97.9Very high97.4Very high92 Ų9273 Ų7336%0.36135%0.353SS..G310 helixtrans-104.316.2-176.4-61.4-73.9000113.4V54 R58 E79 V80 E81 I85V54-Y83 HydrophobicContact CB-CD2 4.41Å; V54-Y83 HydrophobicContact CG1-CD2 3.54Å; V54-Y83 HydrophobicContact CG1-CE2 3.62Å; V54-Y83 HydrophobicContact CG1-CG 4.01Å; V54-Y83 HydrophobicContact CG2-CD2 4.12Å; V54-Y83 HydrophobicContact CG2-CE2 4.1Å; R58-Y83 HydrophobicContact CG-CD1 4.17Å; R58-Y83 HydrophobicContact CG-CG 4.11Å; R58-Y83 PolarHBondContact NH2-OH 3.23Å; E79-Y83 WeakPolarHBondContact O-CD2 3.28Å; E79-Y83 WeakPolarHBondContact O-CE2 3.42Å; V80-Y83 PolarHBondContact O-N 3.35Å; E81-Y83 PolarHBondContact O-N 3.12Å; E81-Y83 VanDerWaalsContact O-N 3.12Å; Y83-I85 PolarHBondContact O-N 3.36Å
84A96.8Very high97.3Very high49 Ų4973.7 Ų73.741%0.40536%0.357SS..  trans-58.8135.1176.900000110.4Y57 E81Y57-A84 HydrophobicContact CE1-CB 3.7Å; Y57-A84 VanDerWaalsContact CE1-N 3.33Å; E81-A84 PolarHBondContact O-N 3.47Å
85I96.9Very high97.3Very high100 Ų10072.6 Ų72.651%0.51336%0.356SS..SBendtrans-102.8-9.517462.7159.1000112R58 Y83R58-I85 WeakPolarHBondContact O-CG2 3.43Å; Y83-I85 PolarHBondContact O-N 3.36Å
86N92.8Very high97.3Very high58 Ų5866.3 Ų66.331%0.3133%0.334SS..SBendtrans-161.4163.6170.864.977.4000112.1K88 Q89N86-K88 PolarHBondContact O-N 3Å; N86-K88 VanDerWaalsContact OD1-CB 3.29Å; N86-K88 WeakPolarHBondContact OD1-CB 3.39Å; N86-K88 PolarHBondContact OD1-N 3.49Å; N86-Q89 PolarHBondContact O-N 2.82Å
87D93.1Very high97.2Very high176 Ų17668.3 Ų68.394%0.94134%0.344SS*.THydrogen-bonded Turntrans-71.6-8-175-55.9-33.6000114.9
88K93.4Very high97.2Very high169 Ų16965.9 Ų65.974%0.73533%0.334SS*.THydrogen-bonded Turntrans-84.3-18.6-179.7-57.4-179.6178.4178.50111.9F62 N86F62-K88 WeakPolarHBondContact CE1-O 3.4Å; N86-K88 PolarHBondContact O-N 3Å; N86-K88 VanDerWaalsContact OD1-CB 3.29Å; N86-K88 WeakPolarHBondContact OD1-CB 3.39Å; N86-K88 PolarHBondContact OD1-N 3.49Å
89Q96.1Very high97Very high13 Ų1359.7 Ų59.76%0.06131%0.31CS..  trans-73.4129.5-173.4-66.5-175.2-94.200112.7Y57 G60 A61 N86Y57-Q89 HydrophobicContact CD2-CB 4.34Å; Y57-Q89 HydrophobicContact CE2-CB 3.47Å; Y57-Q89 VanDerWaalsContact CE2-CB 3.47Å; Y57-Q89 HydrophobicContact CE2-CG 4.38Å; Y57-Q89 PolarHBondContact O-NE2 3.05Å; Y57-Q89 WeakPolarHBondContact OH-CB 3.41Å; Y57-Q89 PolarHBondContact OH-O 3.48Å; Y57-Q89 VanDerWaalsContact OH-O 3.11Å; G60-Q89 VanDerWaalsContact CA-NE2 3.25Å; A61-Q89 PolarHBondContact O-NE2 3.19Å; N86-Q89 PolarHBondContact O-N 2.82Å
90V97.7Very high96.6Very high66 Ų6659.3 Ų59.340%0.432%0.315SS..  trans-117.8141.2-177.1-179.90000110.5I63 L116I63-V90 PolarHBondContact N-O 3.21Å; V90-L116 HydrophobicContact CB-CD2 3.83Å; V90-L116 HydrophobicContact CG1-CD2 3.86Å; V90-L116 HydrophobicContact CG2-CD2 4.45Å
91V98.6Very high96.4Very high0 Ų062.2 Ų62.20%033%0.33CS..EExtended strand (participates in β ladder)trans-112.6114.5165.5-174.40000109.4Y57 I63 L65 K77 V80 E81Y57-V91 HydrophobicContact CD2-CG2 4.02Å; Y57-V91 HydrophobicContact CE2-CG2 3.55Å; I63-V91 HydrophobicContact CB-CG1 4.37Å; I63-V91 HydrophobicContact CB-CG2 4.36Å; I63-V91 HydrophobicContact CG2-CG1 4.42Å; I63-V91 CarbonylContact O-C 3.4Å; I63-V91 WeakPolarHBondContact O-CA 3.32Å; L65-V91 HydrophobicContact CD1-CG1 3.85Å; L65-V91 HydrophobicContact CG-CG1 3.96Å; K77-V91 HydrophobicContact CB-CG1 4.05Å; K77-V91 HydrophobicContact CD-CB 4.41Å; K77-V91 HydrophobicContact CD-CG1 4.36Å; K77-V91 WeakPolarHBondContact CD-O 3.25Å; K77-V91 WeakPolarHBondContact CE-O 3.47Å; K77-V91 HydrophobicContact CG-CB 4.05Å; K77-V91 HydrophobicContact CG-CG1 3.9Å; K77-V91 PolarHBondContact NZ-O 3.08Å; V80-V91 HydrophobicContact CB-CG2 4.23Å; V80-V91 HydrophobicContact CG1-CG2 3.68Å; E81-V91 HydrophobicContact CG-CB 4.1Å; E81-V91 HydrophobicContact CG-CG2 3.71Å
92L98.5Very high96.4Very high31 Ų3160.7 Ų60.716%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-93.6143.7172-17568000109.8I63 T64 L65 V94 A112 K115 L116I63-L92 PolarHBondContact O-N 3Å; T64-L92 CarbonylContact C-O 3.58Å; T64-L92 WeakPolarHBondContact CA-O 3.33Å; T64-L92 HydrophobicContact CG2-CB 4.47Å; T64-L92 HydrophobicContact CG2-CD2 4.26Å; L65-L92 PolarHBondContact N-O 3.15Å; L92-V94 HydrophobicContact CD2-CG2 4.18Å; L92-V94 HydrophobicContact CG-CG2 4.35Å; L92-A112 HydrophobicContact CD2-CB 3.8Å; L92-K115 HydrophobicContact CD1-CD 4.03Å; L92-K115 HydrophobicContact CD2-CD 4.05Å; L92-L116 HydrophobicContact CB-CD1 3.96Å
93C98.6Very high96.3Very high34 Ų3456.5 Ų56.523%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-111.5136.2170.2-660000109.4L73 K77L73-C93 HydrophobicContact CB-CB 4.13Å; K77-C93 VanDerWaalsContact CB-SG 3.58Å
94V97.7Very high96.3Very high16 Ų1657.2 Ų57.210%0.09732%0.316CS..EExtended strand (participates in β ladder)trans-129.5115.4175.9171.40000108.2T64 L65 V66 A67 L73 L92 V96 V108T64-V94 HydrophobicContact CG2-CB 4.36Å; T64-V94 HydrophobicContact CG2-CG2 3.73Å; L65-V94 PolarHBondContact O-N 3.24Å; V66-V94 WeakPolarHBondContact CA-O 3.11Å; V66-V94 HydrophobicContact CG1-CG1 4.44Å; V66-V94 HydrophobicContact CG2-CB 4.28Å; A67-V94 PolarHBondContact N-O 2.83Å; L73-V94 WeakPolarHBondContact CD1-O 3.21Å; L92-V94 HydrophobicContact CD2-CG2 4.18Å; L92-V94 HydrophobicContact CG-CG2 4.35Å; V94-V96 HydrophobicContact CG1-CG1 4.24Å; V94-V108 HydrophobicContact CG1-CB 3.51Å; V94-V108 HydrophobicContact CG1-CG1 4.22Å; V94-V108 HydrophobicContact CG1-CG2 3.52Å
95S97.8Very high96.4Very high61 Ų6155 Ų5543%0.42730%0.297SS..EExtended strand (participates in β ladder)trans-88.1111.8175.8-167.90000110.3A67 R68A67-S95 CarbonylContact O-C 3.6Å; A67-S95 WeakPolarHBondContact O-CA 3.31Å; R68-S95 PolarHBondContact O-OG 2.92Å
96V97.8Very high96.4Very high12 Ų1253.6 Ų53.67%0.07329%0.289CS..  trans-158.3146.917669.90000110.6V66 A67 R68 V94 V98 Q104 V105 V108V66-V96 HydrophobicContact CG1-CG1 3.44Å; V66-V96 VanDerWaalsContact CG1-CG1 3.44Å; A67-V96 CarbonylContact C-O 3.59Å; A67-V96 PolarHBondContact O-N 3.37Å; R68-V96 WeakPolarHBondContact CG-O 3.35Å; V94-V96 HydrophobicContact CG1-CG1 4.24Å; V96-V98 HydrophobicContact CG1-CG1 4.29Å; V96-Q104 HydrophobicContact CG2-CB 4.45Å; V96-V105 HydrophobicContact CG2-CG2 4.18Å; V96-V108 HydrophobicContact CB-CG2 4.11Å; V96-V108 HydrophobicContact CG1-CG2 3.87Å; V96-V108 HydrophobicContact CG2-CG2 4.28Å
97D97.8Very high96.6Very high44 Ų4454.5 Ų54.524%0.23529%0.294CS..  trans-81.6113.4163.6-165.8-20.6000109.8R68 S99 S100R68-D97 WeakPolarHBondContact CD-OD2 3.42Å; R68-D97 HydrophobicContact CG-CB 3.83Å; R68-D97 IonicContact CZ-OD2 3.82Å; R68-D97 IonicContact NE-OD2 2.71Å; R68-D97 IonicContact NH1-OD1 2.94Å; R68-D97 IonicContact NH1-OD2 3.31Å; R68-D97 PolarHBondContact NH1-OD2 3.39Å; D97-S99 PolarHBondContact O-N 3.23Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.39Å; D97-S100 PolarHBondContact O-N 2.98Å; D97-S100 PolarHBondContact O-OG 3.45Å; D97-S100 VanDerWaalsContact O-OG 3.05Å
98V97.8Very high96.8Very high6 Ų647.5 Ų47.54%0.03626%0.257CS..THydrogen-bonded Turntrans-70.5-14.1-177.5-640000113.1T42 V66 V96 A126 L148 G152 Y155 P156T42-V98 HydrophobicContact CG2-CG1 4.2Å; V66-V98 HydrophobicContact CG1-CG1 4.01Å; V96-V98 HydrophobicContact CG1-CG1 4.29Å; V98-A126 HydrophobicContact CG2-CB 3.7Å; V98-L148 HydrophobicContact CG2-CD1 4.07Å; V98-G152 WeakPolarHBondContact O-CA 3.45Å; V98-Y155 WeakPolarHBondContact O-CD2 3.43Å; V98-P156 HydrophobicContact CB-CG 4.43Å; V98-P156 HydrophobicContact CG1-CG 4.35Å
99S95.1Very high97Very high18 Ų1839.7 Ų39.713%0.12622%0.224CC..THydrogen-bonded Turntrans-102.6-5.9179.359.30000115.1D97 E147D97-S99 PolarHBondContact O-N 3.23Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.39Å; S99-E147 VanDerWaalsContact CB-C 3.47Å; S99-E147 WeakPolarHBondContact CB-O 3.41Å
100S89.2Confident97Very high65 Ų6544.6 Ų44.646%0.45525%0.245SC..THydrogen-bonded Turntrans-78.6-62.9-172.861.10000113D97D97-S100 PolarHBondContact O-N 2.98Å; D97-S100 PolarHBondContact O-OG 3.45Å; D97-S100 VanDerWaalsContact O-OG 3.05Å
101D94.4Very high96.9Very high61 Ų6146.4 Ų46.433%0.32625%0.249SC..  trans-144.7128.4-173.1173.356.6000111.6T103 Q104 V105D101-T103 PolarHBondContact O-N 3.36Å; D101-T103 WeakPolarHBondContact OD2-CB 3.36Å; D101-T103 PolarHBondContact OD2-N 3.5Å; D101-Q104 HydrophobicContact CB-CB 4.34Å; D101-Q104 HydrophobicContact CB-CG 4.36Å; D101-Q104 PolarHBondContact O-N 3.3Å; D101-Q104 WeakPolarHBondContact OD2-CG 3.44Å; D101-Q104 PolarHBondContact OD2-N 2.99Å; D101-V105 WeakPolarHBondContact O-CG2 3.33Å; D101-V105 PolarHBondContact O-N 3.41Å
102Y97.7Very high96.9Very high43 Ų4346.5 Ų46.517%0.16925%0.249CC..Hα-helixtrans-61.7-42.2-178.9170.8-106.6000112.1Q104 V105 E106 Y155 R158Y102-Q104 VanDerWaalsContact C-N 3.34Å; Y102-Q104 PolarHBondContact O-N 2.97Å; Y102-V105 PolarHBondContact O-N 2.88Å; Y102-E106 HydrophobicContact CE1-CB 4.23Å; Y102-E106 HydrophobicContact CE1-CG 4.49Å; Y102-E106 HydrophobicContact CE2-CB 4.25Å; Y102-E106 WeakPolarHBondContact O-CB 3.33Å; Y102-E106 PolarHBondContact O-N 2.83Å; Y102-E106 VanDerWaalsContact OH-CD 3.32Å; Y102-E106 PolarHBondContact OH-OE1 3.47Å; Y102-Y155 HydrophobicContact CD2-CD1 4Å; Y102-Y155 HydrophobicContact CD2-CG 4.05Å; Y102-Y155 HydrophobicContact CG-CD1 4.45Å; Y102-R158 HydrophobicContact CE2-CB 3.74Å; Y102-R158 VanDerWaalsContact CE2-CD 3.48Å; Y102-R158 HydrophobicContact CE2-CG 3.7Å; Y102-R158 WeakPolarHBondContact OH-CG 3.46Å
103T97.8Very high96.8Very high72 Ų7246.3 Ų46.344%0.44225%0.248SC..Hα-helixtrans-65-39-176.1-63.50000111.5D101 N107D101-T103 PolarHBondContact O-N 3.36Å; D101-T103 WeakPolarHBondContact OD2-CB 3.36Å; D101-T103 PolarHBondContact OD2-N 3.5Å; T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 2.94Å; T103-N107 PolarHBondContact O-ND2 3.48Å; T103-N107 VanDerWaalsContact O-ND2 3.08Å
104Q96.7Very high96.8Very high108 Ų10851 Ų5151%0.50527%0.266SS..Hα-helixtrans-61.3-47.8171.7-75.2179.476.700112.3V96 D101 Y102 E106 N107 V108V96-Q104 HydrophobicContact CG2-CB 4.45Å; D101-Q104 HydrophobicContact CB-CB 4.34Å; D101-Q104 HydrophobicContact CB-CG 4.36Å; D101-Q104 PolarHBondContact O-N 3.3Å; D101-Q104 WeakPolarHBondContact OD2-CG 3.44Å; D101-Q104 PolarHBondContact OD2-N 2.99Å; Y102-Q104 VanDerWaalsContact C-N 3.34Å; Y102-Q104 PolarHBondContact O-N 2.97Å; Q104-E106 PolarHBondContact O-N 3.02Å; Q104-N107 PolarHBondContact O-N 2.89Å; Q104-V108 WeakPolarHBondContact O-CG2 3.33Å; Q104-V108 PolarHBondContact O-N 3.34Å; Q104-V108 VanDerWaalsContact O-N 3.12Å
105V98.1Very high96.7Very high1 Ų157 Ų571%0.00629%0.291CS..Hα-helixtrans-61.1-45.2178.4173.90000111.5V96 D101 Y102 V108 I109 P156V96-V105 HydrophobicContact CG2-CG2 4.18Å; D101-V105 WeakPolarHBondContact O-CG2 3.33Å; D101-V105 PolarHBondContact O-N 3.41Å; Y102-V105 PolarHBondContact O-N 2.88Å; V105-V108 WeakPolarHBondContact O-CG2 3.49Å; V105-V108 PolarHBondContact O-N 3.06Å; V105-I109 HydrophobicContact CG1-CD1 3.71Å; V105-I109 WeakPolarHBondContact O-CB 3.35Å; V105-I109 WeakPolarHBondContact O-CG1 3.42Å; V105-I109 PolarHBondContact O-N 3.48Å; V105-I109 VanDerWaalsContact O-N 3.08Å; V105-P156 HydrophobicContact CG1-CB 4.49Å; V105-P156 HydrophobicContact CG1-CG 4.07Å
106E98Very high96.7Very high72 Ų7255.4 Ų55.434%0.33628%0.278SS..Hα-helixtrans-59.5-47.5177.4-178.6178-11900111.5Y102 Q104 V108 I109 K110 A159Y102-E106 HydrophobicContact CE1-CB 4.23Å; Y102-E106 HydrophobicContact CE1-CG 4.49Å; Y102-E106 HydrophobicContact CE2-CB 4.25Å; Y102-E106 WeakPolarHBondContact O-CB 3.33Å; Y102-E106 PolarHBondContact O-N 2.83Å; Y102-E106 VanDerWaalsContact OH-CD 3.32Å; Y102-E106 PolarHBondContact OH-OE1 3.47Å; Q104-E106 PolarHBondContact O-N 3.02Å; E106-V108 PolarHBondContact O-N 3.11Å; E106-I109 PolarHBondContact O-N 3.32Å; E106-K110 WeakPolarHBondContact O-CB 3.46Å; E106-K110 PolarHBondContact O-N 3.21Å; E106-A159 HydrophobicContact CB-CB 4.37Å; E106-A159 HydrophobicContact CG-CB 4.48Å
107N97.2Very high96.7Very high77 Ų7756.1 Ų56.141%0.41229%0.287SS..Hα-helixtrans-61.2-46.1-179.4-77-30.5000112.4T103 Q104 K110 Q111T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 2.94Å; T103-N107 PolarHBondContact O-ND2 3.48Å; T103-N107 VanDerWaalsContact O-ND2 3.08Å; Q104-N107 PolarHBondContact O-N 2.89Å; N107-K110 WeakPolarHBondContact O-CB 3.48Å; N107-K110 PolarHBondContact O-N 3.34Å; N107-Q111 WeakPolarHBondContact O-CG 3.29Å; N107-Q111 PolarHBondContact O-N 3.1Å
108V96.3Very high96.7Very high29 Ų2956.5 Ų56.518%0.17629%0.292CS..Hα-helixtrans-72.6-33.6-177.7-59.70000112.6V94 V96 Q104 V105 E106 Q111 A112V94-V108 HydrophobicContact CG1-CB 3.51Å; V94-V108 HydrophobicContact CG1-CG1 4.22Å; V94-V108 HydrophobicContact CG1-CG2 3.52Å; V96-V108 HydrophobicContact CB-CG2 4.11Å; V96-V108 HydrophobicContact CG1-CG2 3.87Å; V96-V108 HydrophobicContact CG2-CG2 4.28Å; Q104-V108 WeakPolarHBondContact O-CG2 3.33Å; Q104-V108 PolarHBondContact O-N 3.34Å; Q104-V108 VanDerWaalsContact O-N 3.12Å; V105-V108 WeakPolarHBondContact O-CG2 3.49Å; V105-V108 PolarHBondContact O-N 3.06Å; E106-V108 PolarHBondContact O-N 3.11Å; V108-Q111 PolarHBondContact O-N 2.9Å; V108-A112 PolarHBondContact O-N 2.69Å
109I97.6Very high96.7Very high5 Ų556.2 Ų56.23%0.02629%0.291CS..Hα-helixtrans-67.7-39173-71.4173.9000110.4V105 E106 A112 Q113 P156 A159 V160V105-I109 HydrophobicContact CG1-CD1 3.71Å; V105-I109 WeakPolarHBondContact O-CB 3.35Å; V105-I109 WeakPolarHBondContact O-CG1 3.42Å; V105-I109 PolarHBondContact O-N 3.48Å; V105-I109 VanDerWaalsContact O-N 3.08Å; E106-I109 PolarHBondContact O-N 3.32Å; I109-A112 WeakPolarHBondContact O-CB 3.46Å; I109-A112 PolarHBondContact O-N 3.43Å; I109-Q113 WeakPolarHBondContact O-CG 3.37Å; I109-Q113 PolarHBondContact O-N 3.27Å; I109-P156 HydrophobicContact CD1-CB 3.72Å; I109-A159 HydrophobicContact CB-CB 4.18Å; I109-A159 HydrophobicContact CD1-CB 3.83Å; I109-A159 HydrophobicContact CG2-CB 4.08Å; I109-V160 HydrophobicContact CG2-CG1 3.65Å
110K96.9Very high96.9Very high116 Ų11656.4 Ų56.450%0.50429%0.29SS..Hα-helixtrans-59.9-46.1173-177.5179.5173.2-175.10111.7E106 N107 A112 Q113 E114E106-K110 WeakPolarHBondContact O-CB 3.46Å; E106-K110 PolarHBondContact O-N 3.21Å; N107-K110 WeakPolarHBondContact O-CB 3.48Å; N107-K110 PolarHBondContact O-N 3.34Å; K110-A112 VanDerWaalsContact C-N 3.29Å; K110-A112 PolarHBondContact O-N 3.48Å; K110-Q113 WeakPolarHBondContact O-CA 3.32Å; K110-Q113 WeakPolarHBondContact O-CB 3.46Å; K110-Q113 PolarHBondContact O-N 3.18Å; K110-E114 WeakPolarHBondContact CE-OE1 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.33Å; K110-E114 PolarHBondContact O-N 2.79Å
111Q96.4Very high97.4Very high104 Ų10453.3 Ų53.349%0.48627%0.268SS..Hα-helixtrans-61.7-36.5175.7-70.4174.216.400112.8N107 V108 Q113 E114 K115N107-Q111 WeakPolarHBondContact O-CG 3.29Å; N107-Q111 PolarHBondContact O-N 3.1Å; V108-Q111 PolarHBondContact O-N 2.9Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-E114 PolarHBondContact O-N 2.89Å; Q111-K115 WeakPolarHBondContact O-CG 3.4Å; Q111-K115 PolarHBondContact O-N 2.95Å
112A97.4Very high97.6Very high1 Ų150.4 Ų50.41%0.00825%0.253CS..Hα-helixtrans-64.1-40.2173.100000111.6T64 L92 V108 I109 K110 K115 L116T64-A112 HydrophobicContact CG2-CB 3.89Å; L92-A112 HydrophobicContact CD2-CB 3.8Å; V108-A112 PolarHBondContact O-N 2.69Å; I109-A112 WeakPolarHBondContact O-CB 3.46Å; I109-A112 PolarHBondContact O-N 3.43Å; K110-A112 VanDerWaalsContact C-N 3.29Å; K110-A112 PolarHBondContact O-N 3.48Å; A112-K115 PolarHBondContact O-N 3.09Å; A112-L116 PolarHBondContact O-N 3.28Å
113Q97.4Very high97.6Very high28 Ų2848.3 Ų48.313%0.13125%0.245CC..Hα-helixtrans-65.1-37.4175.7-71.7178.8105.900113I109 K110 Q111 K115 G117 V119 T163I109-Q113 WeakPolarHBondContact O-CG 3.37Å; I109-Q113 PolarHBondContact O-N 3.27Å; K110-Q113 WeakPolarHBondContact O-CA 3.32Å; K110-Q113 WeakPolarHBondContact O-CB 3.46Å; K110-Q113 PolarHBondContact O-N 3.18Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q113-K115 PolarHBondContact O-N 3.17Å; Q113-G117 VanDerWaalsContact CA-O 3.23Å; Q113-G117 WeakPolarHBondContact CA-O 3.1Å; Q113-G117 CarbonylContact O-C 3.03Å; Q113-G117 VanDerWaalsContact O-C 3.22Å; Q113-G117 WeakPolarHBondContact O-CA 3.29Å; Q113-G117 PolarHBondContact O-N 2.9Å; Q113-V119 HydrophobicContact CG-CG2 3.61Å; Q113-T163 PolarHBondContact OE1-OG1 3.43Å
114E97Very high97.7Very high133 Ų13345 Ų4562%0.62122%0.224SC*.Hα-helixtrans-63.3-30.4174.8-70.7166.7-178.700112.2K110 Q111K110-E114 WeakPolarHBondContact CE-OE1 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.33Å; K110-E114 PolarHBondContact O-N 2.79Å; Q111-E114 PolarHBondContact O-N 2.89Å
115K96.9Very high97.8Very high140 Ų14040.9 Ų40.961%0.60921%0.207SC*.Hα-helixtrans-87.6-45-178.3-70.9178-176.6178.30114.2L92 Q111 A112 Q113L92-K115 HydrophobicContact CD1-CD 4.03Å; L92-K115 HydrophobicContact CD2-CD 4.05Å; Q111-K115 WeakPolarHBondContact O-CG 3.4Å; Q111-K115 PolarHBondContact O-N 2.95Å; A112-K115 PolarHBondContact O-N 3.09Å; Q113-K115 PolarHBondContact O-N 3.17Å
116L97.3Very high97.8Very high29 Ų2941.3 Ų41.315%0.15221%0.211CC..Hα-helixtrans-1112.1-171.9-61.5-176.8000113.4F62 V90 L92 A112F62-L116 HydrophobicContact CB-CD1 4.18Å; V90-L116 HydrophobicContact CB-CD2 3.83Å; V90-L116 HydrophobicContact CG1-CD2 3.86Å; V90-L116 HydrophobicContact CG2-CD2 4.45Å; L92-L116 HydrophobicContact CB-CD1 3.96Å; A112-L116 PolarHBondContact O-N 3.28Å
117G97.4Very high97.8Very high26 Ų2639.3 Ų39.327%0.26821%0.209SC..  trans87.9175.1-173.200000112.6H38 Q113H38-G117 PolarHBondContact ND1-O 3.08Å; Q113-G117 VanDerWaalsContact CA-O 3.23Å; Q113-G117 WeakPolarHBondContact CA-O 3.1Å; Q113-G117 CarbonylContact O-C 3.03Å; Q113-G117 VanDerWaalsContact O-C 3.22Å; Q113-G117 WeakPolarHBondContact O-CA 3.29Å; Q113-G117 PolarHBondContact O-N 2.9Å
118P97.9Very high97.7Very high53 Ų5337.7 Ų37.734%0.34420%0.202SC..SBendtrans-60.8147.6-17729.7-39.1000112.2D120 R167P118-D120 PolarHBondContact O-N 2.64Å; P118-R167 VanDerWaalsContact CB-CZ 3.41Å
119V98.8Very high97.6Very high0 Ų036.6 Ų36.60%020%0.196CC..  trans-71.1117.4-177.7-176.90000110.6V40 Q113 M121 L122 V160 M164 R167V40-V119 HydrophobicContact CB-CG1 4.19Å; V40-V119 HydrophobicContact CG2-CB 4.27Å; V40-V119 HydrophobicContact CG2-CG1 3.76Å; V40-V119 HydrophobicContact CG2-CG2 3.47Å; V40-V119 VanDerWaalsContact CG2-CG2 3.47Å; Q113-V119 HydrophobicContact CG-CG2 3.61Å; V119-M121 VanDerWaalsContact CG1-O 3.32Å; V119-M121 WeakPolarHBondContact CG1-O 2.97Å; V119-L122 HydrophobicContact CG1-CB 4.34Å; V119-V160 HydrophobicContact CB-CB 4.35Å; V119-V160 HydrophobicContact CB-CG1 3.97Å; V119-V160 HydrophobicContact CG1-CG1 4.3Å; V119-V160 HydrophobicContact CG2-CG1 3.76Å; V119-M164 HydrophobicContact CB-CE 4.37Å; V119-M164 HydrophobicContact CG1-CE 4Å; V119-M164 WeakPolarHBondContact O-CE 3.37Å; V119-R167 VanDerWaalsContact C-NH2 3.29Å; V119-R167 PolarHBondContact O-NH2 3.34Å
120D98.8Very high97.4Very high21 Ų2138.5 Ų38.511%0.11221%0.206CC..SBendtrans-87.5-30.4176.6-59.2-50.3000111.9L32 A37 H38 P118 R167 G170 R171L32-D120 HydrophobicContact CD1-CB 4.38Å; L32-D120 HydrophobicContact CD2-CB 4.39Å; A37-D120 VanDerWaalsContact CA-OD2 3.3Å; A37-D120 WeakPolarHBondContact CA-OD2 3.5Å; A37-D120 HydrophobicContact CB-CB 4.05Å; H38-D120 PolarHBondContact N-OD2 3.48Å; H38-D120 PolarHBondContact O-N 3.25Å; P118-D120 PolarHBondContact O-N 2.64Å; D120-R167 IonicContact OD1-CZ 3.77Å; D120-R167 VanDerWaalsContact OD1-CZ 3.31Å; D120-R167 IonicContact OD1-NH1 2.82Å; D120-R167 PolarHBondContact OD1-NH1 3.01Å; D120-R167 IonicContact OD1-NH2 3.52Å; D120-R167 PolarHBondContact OD1-NH2 3.09Å; D120-G170 CarbonylContact O-C 3.5Å; D120-G170 WeakPolarHBondContact O-CA 3.05Å; D120-R171 PolarHBondContact O-N 3.23Å
121M98.9Very high97.4Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-142.3125.7177.9-175168.1-167.800111.5L32 L34 H38 V39 V40 V119 I123 R171 M173 A262L32-M121 HydrophobicContact CD2-CB 3.92Å; L32-M121 HydrophobicContact CD2-SD 4.25Å; L34-M121 HydrophobicContact CD2-SD 4.03Å; H38-M121 PolarHBondContact O-N 2.95Å; V39-M121 CarbonylContact C-O 3.37Å; V39-M121 VanDerWaalsContact CA-O 3.28Å; V39-M121 WeakPolarHBondContact CA-O 3.39Å; V39-M121 HydrophobicContact CB-CB 4.5Å; V39-M121 HydrophobicContact CG1-CB 4.19Å; V39-M121 HydrophobicContact CG1-CG 4.24Å; V39-M121 HydrophobicContact CG2-CB 4.12Å; V40-M121 PolarHBondContact N-O 3.18Å; V119-M121 VanDerWaalsContact CG1-O 3.32Å; V119-M121 WeakPolarHBondContact CG1-O 2.97Å; M121-I123 HydrophobicContact CE-CD1 3.47Å; M121-I123 VanDerWaalsContact CE-CD1 3.47Å; M121-I123 HydrophobicContact CG-CD1 3.77Å; M121-I123 HydrophobicContact SD-CD1 4.14Å; M121-R171 CarbonylContact C-O 3.55Å; M121-R171 VanDerWaalsContact CA-O 3.25Å; M121-R171 WeakPolarHBondContact CA-O 3.46Å; M121-R171 HydrophobicContact CB-CB 4.05Å; M121-R171 HydrophobicContact CE-CB 4.44Å; M121-R171 HydrophobicContact CG-CB 3.73Å; M121-R171 HydrophobicContact SD-CB 4.28Å; M121-M173 HydrophobicContact CE-CE 4.25Å; M121-A262 HydrophobicContact CE-CB 3.22Å
122L98.9Very high97.3Very high0 Ų028.9 Ų28.90%017%0.165CC..EExtended strand (participates in β ladder)trans-107.8128.1173.1173.965.4000109.6V40 V119 P156 V160 M164 R171 I172 M173V40-L122 HydrophobicContact CB-CD1 3.97Å; V40-L122 HydrophobicContact CG1-CD1 3.92Å; V119-L122 HydrophobicContact CG1-CB 4.34Å; L122-P156 HydrophobicContact CD1-CB 4.09Å; L122-P156 HydrophobicContact CD2-CB 4.05Å; L122-V160 HydrophobicContact CB-CG2 4.28Å; L122-V160 HydrophobicContact CD2-CG2 3.73Å; L122-M164 HydrophobicContact CB-CE 4.34Å; L122-R171 PolarHBondContact N-O 3.39Å; L122-I172 CarbonylContact O-C 3.45Å; L122-I172 WeakPolarHBondContact O-CA 3.24Å; L122-M173 PolarHBondContact O-N 3.18Å
123I98.9Very high97.2Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-111.9106.8172.8-46.4-60.8000108.7V39 V40 V41 T42 I52 M121 C125 M173 V175V39-I123 HydrophobicContact CG1-CG1 4.05Å; V40-I123 PolarHBondContact O-N 3.26Å; V41-I123 HydrophobicContact CB-CB 4.38Å; V41-I123 HydrophobicContact CG1-CB 4.13Å; V41-I123 HydrophobicContact CG1-CG2 4.27Å; V41-I123 HydrophobicContact CG2-CB 4.16Å; V41-I123 HydrophobicContact CG2-CG1 4.01Å; T42-I123 PolarHBondContact N-O 2.92Å; T42-I123 PolarHBondContact OG1-O 3.27Å; I52-I123 HydrophobicContact CD1-CG2 3.99Å; I52-I123 HydrophobicContact CG2-CD1 4.38Å; I52-I123 HydrophobicContact CG2-CG1 3.96Å; I52-I123 HydrophobicContact CG2-CG2 4.14Å; M121-I123 HydrophobicContact CE-CD1 3.47Å; M121-I123 VanDerWaalsContact CE-CD1 3.47Å; M121-I123 HydrophobicContact CG-CD1 3.77Å; M121-I123 HydrophobicContact SD-CD1 4.14Å; I123-C125 HydrophobicContact CG2-CB 4.04Å; I123-C125 PolarHBondContact O-N 3.16Å; I123-M173 HydrophobicContact CD1-CB 3.65Å; I123-M173 HydrophobicContact CD1-CE 3.96Å; I123-M173 HydrophobicContact CD1-CG 4.49Å; I123-M173 HydrophobicContact CD1-SD 4.11Å; I123-M173 HydrophobicContact CG2-CB 4.4Å; I123-M173 HydrophobicContact CG2-SD 3.97Å; I123-V175 HydrophobicContact CG2-CG2 4.2Å
124N98.9Very high97.1Very high1 Ų135.6 Ų35.61%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-83.892.4170.9-65.3-69.2000109.1T42 S153 T157 M173 F174 V175T42-N124 WeakPolarHBondContact OG1-CA 3.44Å; N124-S153 PolarHBondContact OD1-O 2.81Å; N124-T157 PolarHBondContact ND2-OG1 3.03Å; N124-M173 WeakPolarHBondContact CB-O 3.41Å; N124-M173 PolarHBondContact N-O 3.38Å; N124-F174 HydrophobicContact CB-CD1 3.78Å; N124-F174 HydrophobicContact CB-CE1 4.27Å; N124-F174 VanDerWaalsContact ND2-CE1 3.25Å; N124-F174 WeakPolarHBondContact ND2-CE1 3.23Å; N124-V175 PolarHBondContact O-N 2.91Å
125C98.8Very high97.1Very high22 Ų2236.1 Ų36.115%0.14920%0.197CC..  trans-120.3-6.6-178.6-172.20000113.7T42 G49 I123 G127 V175T42-C125 CarbonylContact O-C 3.52Å; T42-C125 WeakPolarHBondContact O-CA 3.48Å; T42-C125 VanDerWaalsContact O-CB 3.22Å; T42-C125 WeakPolarHBondContact O-CB 3.39Å; T42-C125 PolarHBondContact O-N 3.45Å; T42-C125 PolarHBondContact OG1-N 3.15Å; G49-C125 VanDerWaalsContact CA-SG 3.58Å; G49-C125 PolarHBondContact N-SG 3.23Å; G49-C125 VanDerWaalsContact N-SG 3.42Å; I123-C125 HydrophobicContact CG2-CB 4.04Å; I123-C125 PolarHBondContact O-N 3.16Å; C125-G127 PolarHBondContact O-N 2.98Å; C125-V175 HydrophobicContact CB-CB 4.14Å; C125-V175 HydrophobicContact CB-CG2 3.69Å
126A98.3Very high97Very high11 Ų1134.8 Ų34.89%0.09119%0.193CC..  trans-58.9133.7170.300000110.6T42 V98T42-A126 PolarHBondContact O-N 3.46Å; T42-A126 PolarHBondContact OG1-N 3.41Å; T42-A126 VanDerWaalsContact OG1-N 3.09Å; V98-A126 HydrophobicContact CG2-CB 3.7Å
127G97.1Very high96.9Very high29 Ų2934.2 Ų34.230%0.29919%0.189SC..  trans179.5167.5179.400000113.2C125 N149C125-G127 PolarHBondContact O-N 2.98Å; G127-N149 WeakPolarHBondContact CA-OD1 3.38Å
128T95.9Very high96.8Very high43 Ų4338.5 Ų38.526%0.26420%0.202SC..  trans-135.3165.7173.4-164.70000110.6M145 L148 N149 Y190T128-M145 HydrophobicContact CG2-CG 4.16Å; T128-L148 HydrophobicContact CG2-CD2 3.87Å; T128-N149 PolarHBondContact N-OD1 3.34Å; T128-N149 PolarHBondContact O-ND2 3.36Å; T128-N149 PolarHBondContact O-OD1 3.3Å; T128-Y190 WeakPolarHBondContact O-CD2 3.42Å; T128-Y190 WeakPolarHBondContact O-CE2 3.43Å
129S95Very high96.8Very high7 Ų740.3 Ų40.35%0.04921%0.213CC..  trans-141.4134.2177.9-1770000109E231S129-E231 WeakPolarHBondContact CB-OE2 3.32Å; S129-E231 PolarHBondContact OG-OE2 3.08Å
130I93.6Very high96.7Very high44 Ų4445 Ų4523%0.22623%0.234CC..  trans-134.2130.9171.2-57.1177000106.7M137 R141 M145I130-M137 HydrophobicContact CB-CE 4.22Å; I130-M137 HydrophobicContact CG2-CE 3.85Å; I130-M137 HydrophobicContact CG2-SD 3.99Å; I130-R141 HydrophobicContact CD1-CB 4.41Å; I130-R141 HydrophobicContact CD1-CG 4.3Å; I130-M145 HydrophobicContact CB-CE 4.09Å; I130-M145 HydrophobicContact CD1-CE 4.48Å
131S94.9Very high96.6Very high1 Ų148.2 Ų48.21%0.00725%0.245CC..  trans-111.5125.3174.4-166.80000110.9G186 P236S131-G186 CarbonylContact C-O 3.58Å; S131-G186 WeakPolarHBondContact CA-O 3.22Å; S131-G186 PolarHBondContact OG-O 2.91Å; S131-P236 VanDerWaalsContact OG-CD 3.27Å; S131-P236 WeakPolarHBondContact OG-CD 3.49Å
132A95.2Very high96.5Very high17 Ų1750.7 Ų50.714%0.1426%0.256CS..  trans-160160.517400000109.4M137 G186A132-M137 HydrophobicContact CB-CB 4.4Å; A132-M137 HydrophobicContact CB-CE 3.78Å; A132-M137 HydrophobicContact CB-SD 4.33Å; A132-G186 PolarHBondContact N-O 3.37Å; A132-G186 CarbonylContact O-C 3.53Å; A132-G186 VanDerWaalsContact O-CA 3.23Å; A132-G186 WeakPolarHBondContact O-CA 3.43Å; A132-G186 VanDerWaalsContact O-O 3.13Å
133K95.4Very high96.4Very high37 Ų3755.9 Ų55.916%0.16128%0.278CS..  trans-62.9158.3169.4-58.6-172.5-158.1128.60110.4E135 E136 M137 F185K133-E135 VanDerWaalsContact C-N 3.34Å; K133-E135 WeakPolarHBondContact CB-OE2 3.4Å; K133-E135 WeakPolarHBondContact CD-OE1 3.4Å; K133-E135 PolarHBondContact O-N 3.27Å; K133-E136 HydrophobicContact CB-CB 4.27Å; K133-E136 HydrophobicContact CB-CG 4.11Å; K133-E136 WeakPolarHBondContact CG-OE2 3.44Å; K133-E136 IonicContact NZ-OE1 2.74Å; K133-E136 PolarHBondContact NZ-OE1 3.35Å; K133-E136 IonicContact NZ-OE2 3.57Å; K133-E136 PolarHBondContact O-N 3.34Å; K133-E136 VanDerWaalsContact O-N 3.16Å; K133-M137 PolarHBondContact O-N 3.09Å; K133-M137 VanDerWaalsContact O-N 3.1Å; K133-F185 HydrophobicContact CD-CZ 4.22Å; K133-F185 HydrophobicContact CG-CE1 4.07Å; K133-F185 HydrophobicContact CG-CZ 3.92Å
134F96.4Very high96.3Very high134 Ų13459.8 Ų59.859%0.58830%0.297SS*.G310 helixtrans-60.9-44.2-173.7-175.5-98.9000112.3E136 M137 F142 T188F134-E136 VanDerWaalsContact C-N 3.29Å; F134-E136 PolarHBondContact O-N 3.38Å; F134-M137 PolarHBondContact O-N 3.45Å; F134-F142 HydrophobicContact CD2-CE1 4.37Å; F134-F142 AromaticContact CD2-CZ 3.89Å; F134-F142 HydrophobicContact CD2-CZ 3.89Å; F134-F142 HydrophobicContact CE2-CE1 4.01Å; F134-F142 AromaticContact CE2-CZ 3.73Å; F134-F142 HydrophobicContact CE2-CZ 3.73Å; F134-T188 HydrophobicContact CB-CG2 4.25Å; F134-T188 HydrophobicContact CD2-CG2 3.93Å
135E95.8Very high96.2Very high143 Ų14359.8 Ų59.867%0.66830%0.296SS*.G310 helixtrans-74.5-16.6179.570.7-79.8-166.800114.1K133K133-E135 VanDerWaalsContact C-N 3.34Å; K133-E135 WeakPolarHBondContact CB-OE2 3.4Å; K133-E135 WeakPolarHBondContact CD-OE1 3.4Å; K133-E135 PolarHBondContact O-N 3.27Å
136E94.9Very high96.1Very high112 Ų11261.9 Ų61.952%0.52331%0.306SS..G310 helixtrans-95-14.2178.8-65.3169.9177.900112K133 F134K133-E136 HydrophobicContact CB-CB 4.27Å; K133-E136 HydrophobicContact CB-CG 4.11Å; K133-E136 WeakPolarHBondContact CG-OE2 3.44Å; K133-E136 IonicContact NZ-OE1 2.74Å; K133-E136 PolarHBondContact NZ-OE1 3.35Å; K133-E136 IonicContact NZ-OE2 3.57Å; K133-E136 PolarHBondContact O-N 3.34Å; K133-E136 VanDerWaalsContact O-N 3.16Å; F134-E136 VanDerWaalsContact C-N 3.29Å; F134-E136 PolarHBondContact O-N 3.38Å
137M95Very high96.1Very high17 Ų1765.6 Ų65.68%0.08432%0.321CS..SBendtrans-82.8124-178.8-174.172.477.600111.1I130 A132 K133 F134 V139 R141 F142 M145 A189I130-M137 HydrophobicContact CB-CE 4.22Å; I130-M137 HydrophobicContact CG2-CE 3.85Å; I130-M137 HydrophobicContact CG2-SD 3.99Å; A132-M137 HydrophobicContact CB-CB 4.4Å; A132-M137 HydrophobicContact CB-CE 3.78Å; A132-M137 HydrophobicContact CB-SD 4.33Å; K133-M137 PolarHBondContact O-N 3.09Å; K133-M137 VanDerWaalsContact O-N 3.1Å; F134-M137 PolarHBondContact O-N 3.45Å; M137-V139 PolarHBondContact O-N 3.38Å; M137-R141 HydrophobicContact CG-CB 4.27Å; M137-R141 HydrophobicContact SD-CB 3.73Å; M137-R141 HydrophobicContact SD-CG 4.18Å; M137-F142 HydrophobicContact CB-CE2 3.72Å; M137-F142 HydrophobicContact CB-CZ 4.2Å; M137-F142 HydrophobicContact CG-CD2 3.83Å; M137-F142 HydrophobicContact CG-CE2 3.28Å; M137-F142 HydrophobicContact CG-CZ 3.95Å; M137-M145 HydrophobicContact CE-CE 4.15Å; M137-M145 HydrophobicContact SD-CE 4.29Å; M137-A189 HydrophobicContact CE-CB 4.36Å
138E96.2Very high96.2Very high116 Ų11665 Ų6554%0.54231%0.311SS..  trans-60.1135.5170.9-65.4172.7165.400110.9E140 R141E138-E140 PolarHBondContact O-N 3.12Å; E138-R141 HydrophobicContact CB-CG 3.95Å; E138-R141 WeakPolarHBondContact O-CB 3.43Å; E138-R141 PolarHBondContact O-N 3.13Å; E138-R141 IonicContact OE2-NE 2.84Å; E138-R141 PolarHBondContact OE2-NE 3.42Å; E138-R141 IonicContact OE2-NH2 3.35Å
139V96.6Very high96.3Very high92 Ų9263 Ų6356%0.55830%0.298SS*.Hα-helixtrans-58.6-38-177.6174.10000111.9M137 R141 F142M137-V139 PolarHBondContact O-N 3.38Å; V139-R141 PolarHBondContact O-N 2.97Å; V139-F142 WeakPolarHBondContact O-CB 3.46Å; V139-F142 PolarHBondContact O-N 3.27Å; V139-F142 VanDerWaalsContact O-N 3.09Å
140E97.4Very high96.5Very high97 Ų9765.9 Ų65.945%0.45331%0.309SS..Hα-helixtrans-58.3-32.9178.1-78.851.5-117.700112.2E138 F142 K143 E144E138-E140 PolarHBondContact O-N 3.12Å; E140-F142 VanDerWaalsContact C-N 3.29Å; E140-F142 PolarHBondContact O-N 3.3Å; E140-K143 WeakPolarHBondContact O-CB 3.47Å; E140-K143 PolarHBondContact O-N 2.98Å; E140-K143 VanDerWaalsContact O-N 3.08Å; E140-K143 IonicContact OE1-NZ 3.93Å; E140-K143 PolarHBondContact OE1-NZ 3.01Å; E140-E144 WeakPolarHBondContact O-CG 3.5Å; E140-E144 PolarHBondContact O-N 2.96Å
141R95.8Very high96.7Very high90 Ų9066 Ų6634%0.3431%0.31SS..Hα-helixtrans-65.9-30.8178-59-58.1-178.8175.31.3112.8I130 M137 E138 V139 K143 E144 M145I130-R141 HydrophobicContact CD1-CB 4.41Å; I130-R141 HydrophobicContact CD1-CG 4.3Å; M137-R141 HydrophobicContact CG-CB 4.27Å; M137-R141 HydrophobicContact SD-CB 3.73Å; M137-R141 HydrophobicContact SD-CG 4.18Å; E138-R141 HydrophobicContact CB-CG 3.95Å; E138-R141 WeakPolarHBondContact O-CB 3.43Å; E138-R141 PolarHBondContact O-N 3.13Å; E138-R141 IonicContact OE2-NE 2.84Å; E138-R141 PolarHBondContact OE2-NE 3.42Å; E138-R141 IonicContact OE2-NH2 3.35Å; V139-R141 PolarHBondContact O-N 2.97Å; R141-K143 VanDerWaalsContact C-N 3.34Å; R141-E144 WeakPolarHBondContact CD-OE2 3.09Å; R141-E144 IonicContact CZ-OE2 3Å; R141-E144 IonicContact NE-OE2 2.64Å; R141-E144 IonicContact NH1-OE1 2.64Å; R141-E144 IonicContact NH1-OE2 3.08Å; R141-E144 PolarHBondContact NH1-OE2 2.99Å; R141-M145 HydrophobicContact CB-CE 4.05Å; R141-M145 WeakPolarHBondContact O-CB 3.24Å; R141-M145 VanDerWaalsContact O-CE 3.23Å; R141-M145 WeakPolarHBondContact O-CE 3.45Å; R141-M145 PolarHBondContact O-N 3.06Å
142F97.2Very high96.9Very high52 Ų5266 Ų6623%0.22831%0.31CS..Hα-helixtrans-63.7-42.7172.5-70.4-101.9000111F134 M137 V139 E140 M145 I146 A189F134-F142 HydrophobicContact CD2-CE1 4.37Å; F134-F142 AromaticContact CD2-CZ 3.89Å; F134-F142 HydrophobicContact CD2-CZ 3.89Å; F134-F142 HydrophobicContact CE2-CE1 4.01Å; F134-F142 AromaticContact CE2-CZ 3.73Å; F134-F142 HydrophobicContact CE2-CZ 3.73Å; M137-F142 HydrophobicContact CB-CE2 3.72Å; M137-F142 HydrophobicContact CB-CZ 4.2Å; M137-F142 HydrophobicContact CG-CD2 3.83Å; M137-F142 HydrophobicContact CG-CE2 3.28Å; M137-F142 HydrophobicContact CG-CZ 3.95Å; V139-F142 WeakPolarHBondContact O-CB 3.46Å; V139-F142 PolarHBondContact O-N 3.27Å; V139-F142 VanDerWaalsContact O-N 3.09Å; E140-F142 VanDerWaalsContact C-N 3.29Å; E140-F142 PolarHBondContact O-N 3.3Å; F142-M145 PolarHBondContact O-N 3.05Å; F142-I146 WeakPolarHBondContact O-CG1 3Å; F142-I146 PolarHBondContact O-N 3.44Å; F142-I146 VanDerWaalsContact O-N 3.17Å; F142-A189 HydrophobicContact CD1-CB 3.39Å; F142-A189 HydrophobicContact CD2-CB 4.31Å; F142-A189 HydrophobicContact CE1-CB 3.52Å; F142-A189 HydrophobicContact CE2-CB 4.43Å; F142-A189 HydrophobicContact CG-CB 3.81Å; F142-A189 HydrophobicContact CZ-CB 4.06Å
143K97.4Very high97.1Very high109 Ų10965.2 Ų65.247%0.47430%0.303SS..Hα-helixtrans-64.9-50.5178.3-59.8172-171.9155.10110.4E140 R141 M145 I146 E147E140-K143 WeakPolarHBondContact O-CB 3.47Å; E140-K143 PolarHBondContact O-N 2.98Å; E140-K143 VanDerWaalsContact O-N 3.08Å; E140-K143 IonicContact OE1-NZ 3.93Å; E140-K143 PolarHBondContact OE1-NZ 3.01Å; R141-K143 VanDerWaalsContact C-N 3.34Å; K143-M145 VanDerWaalsContact C-N 3.28Å; K143-M145 PolarHBondContact O-N 3.47Å; K143-I146 PolarHBondContact O-N 3.42Å; K143-E147 WeakPolarHBondContact O-CG 3.44Å; K143-E147 PolarHBondContact O-N 2.89Å
144E96.6Very high97.2Very high81 Ų8165.1 Ų65.138%0.37931%0.305SS..Hα-helixtrans-56.5-40.5178.5-70.1176178.100112.3E140 R141 E147 L148E140-E144 WeakPolarHBondContact O-CG 3.5Å; E140-E144 PolarHBondContact O-N 2.96Å; R141-E144 WeakPolarHBondContact CD-OE2 3.09Å; R141-E144 IonicContact CZ-OE2 3Å; R141-E144 IonicContact NE-OE2 2.64Å; R141-E144 IonicContact NH1-OE1 2.64Å; R141-E144 IonicContact NH1-OE2 3.08Å; R141-E144 PolarHBondContact NH1-OE2 2.99Å; E144-E147 PolarHBondContact O-N 3.32Å; E144-L148 WeakPolarHBondContact O-CB 3.12Å; E144-L148 PolarHBondContact O-N 3.18Å
145M95.9Very high97.3Very high1 Ų161 Ų611%0.00529%0.286CS..Hα-helixtrans-66.4-39.2176.8-85.8-177.3-95.500112.7T128 I130 M137 R141 F142 K143 N149 A189 Y190T128-M145 HydrophobicContact CG2-CG 4.16Å; I130-M145 HydrophobicContact CB-CE 4.09Å; I130-M145 HydrophobicContact CD1-CE 4.48Å; M137-M145 HydrophobicContact CE-CE 4.15Å; M137-M145 HydrophobicContact SD-CE 4.29Å; R141-M145 HydrophobicContact CB-CE 4.05Å; R141-M145 WeakPolarHBondContact O-CB 3.24Å; R141-M145 VanDerWaalsContact O-CE 3.23Å; R141-M145 WeakPolarHBondContact O-CE 3.45Å; R141-M145 PolarHBondContact O-N 3.06Å; F142-M145 PolarHBondContact O-N 3.05Å; K143-M145 VanDerWaalsContact C-N 3.28Å; K143-M145 PolarHBondContact O-N 3.47Å; M145-N149 WeakPolarHBondContact O-CB 3.2Å; M145-N149 PolarHBondContact O-N 3.08Å; M145-A189 HydrophobicContact CE-CB 3.16Å; M145-A189 HydrophobicContact SD-CB 3.7Å; M145-Y190 PolarHBondContact SD-N 3.32Å
146I98.2Very high97.5Very high66 Ų6654.2 Ų54.234%0.33826%0.255SS..Iπ-helixtrans-68.4-45.1175.1-67.5-68.6000110.6F142 K143 L148 Y150 L151F142-I146 WeakPolarHBondContact O-CG1 3Å; F142-I146 PolarHBondContact O-N 3.44Å; F142-I146 VanDerWaalsContact O-N 3.17Å; K143-I146 PolarHBondContact O-N 3.42Å; I146-L148 PolarHBondContact O-N 2.95Å; I146-Y150 HydrophobicContact CG2-CD1 4.45Å; I146-Y150 WeakPolarHBondContact O-CA 3.35Å; I146-Y150 VanDerWaalsContact O-CB 3.22Å; I146-Y150 WeakPolarHBondContact O-CB 3.43Å; I146-Y150 PolarHBondContact O-N 3.09Å; I146-L151 PolarHBondContact O-N 3.42Å
147E98.1Very high97.7Very high90 Ų9049.3 Ų49.342%0.42123%0.233SC..Iπ-helixtrans-57.9-50.5177.7-72171.2176.700110.9S99 K143 E144 L151 G152S99-E147 VanDerWaalsContact CB-C 3.47Å; S99-E147 WeakPolarHBondContact CB-O 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.44Å; K143-E147 PolarHBondContact O-N 2.89Å; E144-E147 PolarHBondContact O-N 3.32Å; E147-L151 HydrophobicContact CG-CD1 4.41Å; E147-L151 CarbonylContact O-C 3.57Å; E147-L151 WeakPolarHBondContact O-CA 3.38Å; E147-L151 VanDerWaalsContact O-CB 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 PolarHBondContact O-N 3.27Å; E147-G152 PolarHBondContact O-N 2.6Å
148L98.3Very high97.8Very high16 Ų1656.1 Ų56.18%0.08426%0.257CS..Iπ-helixtrans-75.8-54.8-178-175.858.3000113.5V98 T128 E144 I146 G152V98-L148 HydrophobicContact CG2-CD1 4.07Å; T128-L148 HydrophobicContact CG2-CD2 3.87Å; E144-L148 WeakPolarHBondContact O-CB 3.12Å; E144-L148 PolarHBondContact O-N 3.18Å; I146-L148 PolarHBondContact O-N 2.95Å; L148-G152 VanDerWaalsContact O-CA 3.32Å; L148-G152 WeakPolarHBondContact O-CA 3.44Å; L148-G152 PolarHBondContact O-N 3.02Å
149N98.6Very high98Very high0 Ų051.4 Ų51.40%024%0.238CC..Iπ-helixtrans-74.4-33.3-171.2-64.4-16.5000112G127 T128 M145 S153 S193 L197G127-N149 WeakPolarHBondContact CA-OD1 3.38Å; T128-N149 PolarHBondContact N-OD1 3.34Å; T128-N149 PolarHBondContact O-ND2 3.36Å; T128-N149 PolarHBondContact O-OD1 3.3Å; M145-N149 WeakPolarHBondContact O-CB 3.2Å; M145-N149 PolarHBondContact O-N 3.08Å; N149-S153 PolarHBondContact O-OG 2.85Å; N149-S193 PolarHBondContact ND2-OG 3.31Å; N149-L197 WeakPolarHBondContact O-CD2 3.31Å
150Y98.7Very high98Very high69 Ų6947 Ų4727%0.27121%0.212SC..Iπ-helixtrans-100.1-63.7-178.1176.4-101.6000112.2I146 G152 S153 V154 A196 L197 L200I146-Y150 HydrophobicContact CG2-CD1 4.45Å; I146-Y150 WeakPolarHBondContact O-CA 3.35Å; I146-Y150 VanDerWaalsContact O-CB 3.22Å; I146-Y150 WeakPolarHBondContact O-CB 3.43Å; I146-Y150 PolarHBondContact O-N 3.09Å; Y150-G152 VanDerWaalsContact C-N 3.27Å; Y150-G152 PolarHBondContact O-N 3.46Å; Y150-S153 WeakPolarHBondContact O-CA 3.33Å; Y150-S153 WeakPolarHBondContact O-CB 3.46Å; Y150-S153 PolarHBondContact O-N 3.35Å; Y150-V154 HydrophobicContact CD1-CG2 4.32Å; Y150-V154 HydrophobicContact CE1-CG2 3.94Å; Y150-V154 HydrophobicContact CE2-CG2 4.29Å; Y150-V154 PolarHBondContact O-N 3.12Å; Y150-A196 HydrophobicContact CD2-CB 3.63Å; Y150-A196 HydrophobicContact CE2-CB 4.08Å; Y150-A196 HydrophobicContact CG-CB 4.15Å; Y150-L197 HydrophobicContact CD2-CD2 4.28Å; Y150-L200 HydrophobicContact CE2-CB 3.93Å; Y150-L200 HydrophobicContact CE2-CD2 4.06Å
151L98.6Very high98.1Very high47 Ų4743.5 Ų43.525%0.24620%0.196CC..Iπ-helixtrans-64.5-34.1-177.7-61.8177.7000111.9I146 E147 S153 V154 Y155I146-L151 PolarHBondContact O-N 3.42Å; E147-L151 HydrophobicContact CG-CD1 4.41Å; E147-L151 CarbonylContact O-C 3.57Å; E147-L151 WeakPolarHBondContact O-CA 3.38Å; E147-L151 VanDerWaalsContact O-CB 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 PolarHBondContact O-N 3.27Å; L151-S153 PolarHBondContact O-N 3.14Å; L151-S153 VanDerWaalsContact O-N 3.1Å; L151-V154 HydrophobicContact CD2-CG2 4.45Å; L151-V154 PolarHBondContact O-N 2.86Å; L151-Y155 HydrophobicContact CB-CE1 4.26Å; L151-Y155 HydrophobicContact CB-CE2 4.32Å; L151-Y155 HydrophobicContact CD2-CE1 4.45Å; L151-Y155 PolarHBondContact O-N 2.59Å
152G98.5Very high98.2Very high0 Ų043.3 Ų43.30%021%0.205CC..Hα-helixtrans-60.6-15.217100000115.2V98 E147 L148 Y150 P156V98-G152 WeakPolarHBondContact O-CA 3.45Å; E147-G152 PolarHBondContact O-N 2.6Å; L148-G152 VanDerWaalsContact O-CA 3.32Å; L148-G152 WeakPolarHBondContact O-CA 3.44Å; L148-G152 PolarHBondContact O-N 3.02Å; Y150-G152 VanDerWaalsContact C-N 3.27Å; Y150-G152 PolarHBondContact O-N 3.46Å; G152-P156 WeakPolarHBondContact O-CD 3.46Å; G152-P156 VanDerWaalsContact O-CG 3.24Å; G152-P156 WeakPolarHBondContact O-CG 3.37Å
153S98.8Very high98.2Very high1 Ų142.7 Ų42.71%0.00721%0.205CC..Hα-helixtrans-97.8-30.6169.6-620000112.8N124 N149 Y150 L151 T157N124-S153 PolarHBondContact OD1-O 2.81Å; N149-S153 PolarHBondContact O-OG 2.85Å; Y150-S153 WeakPolarHBondContact O-CA 3.33Å; Y150-S153 WeakPolarHBondContact O-CB 3.46Å; Y150-S153 PolarHBondContact O-N 3.35Å; L151-S153 PolarHBondContact O-N 3.14Å; L151-S153 VanDerWaalsContact O-N 3.1Å; S153-T157 VanDerWaalsContact O-CB 3.27Å; S153-T157 WeakPolarHBondContact O-CB 3.33Å; S153-T157 PolarHBondContact O-N 2.99Å; S153-T157 PolarHBondContact O-OG1 2.88Å
154V98.8Very high98.3Very high34 Ų3437.5 Ų37.521%0.20618%0.183CC..Hα-helixtrans-65.4-47.4176.71740000110.8Y150 L151 T157 R158 L200Y150-V154 HydrophobicContact CD1-CG2 4.32Å; Y150-V154 HydrophobicContact CE1-CG2 3.94Å; Y150-V154 HydrophobicContact CE2-CG2 4.29Å; Y150-V154 PolarHBondContact O-N 3.12Å; L151-V154 HydrophobicContact CD2-CG2 4.45Å; L151-V154 PolarHBondContact O-N 2.86Å; V154-T157 PolarHBondContact O-N 3.31Å; V154-R158 WeakPolarHBondContact O-CB 3.46Å; V154-R158 PolarHBondContact O-N 2.96Å; V154-L200 HydrophobicContact CG2-CD2 3.82Å
155Y98.8Very high98.4Very high47 Ų4736.1 Ų36.118%0.18418%0.175CC..Hα-helixtrans-64.8-49.7-173.1-59.5-16.3000113.2V98 Y102 L151 T157 R158 A159V98-Y155 WeakPolarHBondContact O-CD2 3.43Å; Y102-Y155 HydrophobicContact CD2-CD1 4Å; Y102-Y155 HydrophobicContact CD2-CG 4.05Å; Y102-Y155 HydrophobicContact CG-CD1 4.45Å; L151-Y155 HydrophobicContact CB-CE1 4.26Å; L151-Y155 HydrophobicContact CB-CE2 4.32Å; L151-Y155 HydrophobicContact CD2-CE1 4.45Å; L151-Y155 PolarHBondContact O-N 2.59Å; Y155-T157 VanDerWaalsContact C-N 3.28Å; Y155-T157 PolarHBondContact O-N 3.39Å; Y155-R158 PolarHBondContact O-N 2.65Å; Y155-A159 PolarHBondContact O-N 3.1Å
156P98.8Very high98.5Very high1 Ų143 Ų431%0.00621%0.207CC..Hα-helixtrans-62.9-36.9176.3-21.434.3000112.5T42 V98 V105 I109 L122 G152 A159 V160T42-P156 HydrophobicContact CG2-CB 4.15Å; T42-P156 HydrophobicContact CG2-CG 3.9Å; V98-P156 HydrophobicContact CB-CG 4.43Å; V98-P156 HydrophobicContact CG1-CG 4.35Å; V105-P156 HydrophobicContact CG1-CB 4.49Å; V105-P156 HydrophobicContact CG1-CG 4.07Å; I109-P156 HydrophobicContact CD1-CB 3.72Å; L122-P156 HydrophobicContact CD1-CB 4.09Å; L122-P156 HydrophobicContact CD2-CB 4.05Å; G152-P156 WeakPolarHBondContact O-CD 3.46Å; G152-P156 VanDerWaalsContact O-CG 3.24Å; G152-P156 WeakPolarHBondContact O-CG 3.37Å; P156-A159 PolarHBondContact O-N 2.89Å; P156-V160 PolarHBondContact O-N 3.32Å
157T98.9Very high98.4Very high10 Ų1044 Ų446%0.06121%0.207CC..Hα-helixtrans-64-46.1178-60.30000111.4N124 S153 V154 Y155 A159 V160 I161 I172 F174 L204N124-T157 PolarHBondContact ND2-OG1 3.03Å; S153-T157 VanDerWaalsContact O-CB 3.27Å; S153-T157 WeakPolarHBondContact O-CB 3.33Å; S153-T157 PolarHBondContact O-N 2.99Å; S153-T157 PolarHBondContact O-OG1 2.88Å; V154-T157 PolarHBondContact O-N 3.31Å; Y155-T157 VanDerWaalsContact C-N 3.28Å; Y155-T157 PolarHBondContact O-N 3.39Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 3.48Å; T157-V160 WeakPolarHBondContact O-CG2 3.2Å; T157-V160 PolarHBondContact O-N 3.23Å; T157-I161 WeakPolarHBondContact O-CB 3.39Å; T157-I161 PolarHBondContact O-N 2.8Å; T157-I161 VanDerWaalsContact O-N 3.09Å; T157-I172 HydrophobicContact CG2-CD1 4.05Å; T157-I172 HydrophobicContact CG2-CG2 4.39Å; T157-F174 HydrophobicContact CG2-CZ 4.23Å; T157-F174 WeakPolarHBondContact OG1-CE1 3.4Å; T157-L204 HydrophobicContact CG2-CD2 3.64Å
158R98.6Very high98.4Very high160 Ų16046.7 Ų46.760%0.60421%0.213SC*.Hα-helixtrans-61.7-36.4176.6-175-177.2170.898.81.3111.9Y102 V154 Y155 V160Y102-R158 HydrophobicContact CE2-CB 3.74Å; Y102-R158 VanDerWaalsContact CE2-CD 3.48Å; Y102-R158 HydrophobicContact CE2-CG 3.7Å; Y102-R158 WeakPolarHBondContact OH-CG 3.46Å; V154-R158 WeakPolarHBondContact O-CB 3.46Å; V154-R158 PolarHBondContact O-N 2.96Å; Y155-R158 PolarHBondContact O-N 2.65Å; R158-V160 VanDerWaalsContact C-N 3.29Å; R158-V160 PolarHBondContact O-N 2.9Å
159A98.6Very high98.3Very high17 Ų1749.8 Ų49.814%0.1423%0.228CC..Hα-helixtrans-67.4-22.8179.500000114.5E106 I109 Y155 P156 T157E106-A159 HydrophobicContact CB-CB 4.37Å; E106-A159 HydrophobicContact CG-CB 4.48Å; I109-A159 HydrophobicContact CB-CB 4.18Å; I109-A159 HydrophobicContact CD1-CB 3.83Å; I109-A159 HydrophobicContact CG2-CB 4.08Å; Y155-A159 PolarHBondContact O-N 3.1Å; P156-A159 PolarHBondContact O-N 2.89Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 3.48Å
160V98.6Very high98.3Very high0 Ų049.8 Ų49.80%023%0.228CC..Hα-helixtrans-109-17.5-177.7-55.80000113.9I109 V119 L122 P156 T157 R158 T162 T163 M164I109-V160 HydrophobicContact CG2-CG1 3.65Å; V119-V160 HydrophobicContact CB-CB 4.35Å; V119-V160 HydrophobicContact CB-CG1 3.97Å; V119-V160 HydrophobicContact CG1-CG1 4.3Å; V119-V160 HydrophobicContact CG2-CG1 3.76Å; L122-V160 HydrophobicContact CB-CG2 4.28Å; L122-V160 HydrophobicContact CD2-CG2 3.73Å; P156-V160 PolarHBondContact O-N 3.32Å; T157-V160 WeakPolarHBondContact O-CG2 3.2Å; T157-V160 PolarHBondContact O-N 3.23Å; R158-V160 VanDerWaalsContact C-N 3.29Å; R158-V160 PolarHBondContact O-N 2.9Å; V160-T162 VanDerWaalsContact C-N 3.35Å; V160-T162 PolarHBondContact O-N 2.79Å; V160-T163 PolarHBondContact O-N 3.41Å; V160-T163 PolarHBondContact O-OG1 3.26Å; V160-T163 VanDerWaalsContact O-OG1 3.05Å; V160-M164 HydrophobicContact CB-CE 4.3Å; V160-M164 HydrophobicContact CG2-CE 3.85Å; V160-M164 HydrophobicContact CG2-SD 4.05Å; V160-M164 WeakPolarHBondContact O-CG 3.32Å; V160-M164 PolarHBondContact O-N 2.96Å; V160-M164 VanDerWaalsContact O-N 3.12Å
161I98.3Very high98.3Very high23 Ų2346.8 Ų46.812%0.11822%0.216CC..Hα-helixtrans-66-35.8-165.2-165.267.4000113.5T157 M164 K165 I172 V208 I213T157-I161 WeakPolarHBondContact O-CB 3.39Å; T157-I161 PolarHBondContact O-N 2.8Å; T157-I161 VanDerWaalsContact O-N 3.09Å; I161-M164 PolarHBondContact O-N 3.07Å; I161-K165 HydrophobicContact CG1-CD 4.46Å; I161-K165 WeakPolarHBondContact O-CG 3.42Å; I161-K165 PolarHBondContact O-N 2.83Å; I161-I172 HydrophobicContact CD1-CD1 3.72Å; I161-V208 HydrophobicContact CD1-CB 4.34Å; I161-V208 HydrophobicContact CD1-CG1 3.47Å; I161-V208 VanDerWaalsContact CD1-CG1 3.47Å; I161-V208 HydrophobicContact CG1-CG1 4.16Å; I161-I213 HydrophobicContact CD1-CD1 4.27Å
162T97.8Very high98.3Very high86 Ų8644.5 Ų44.553%0.52821%0.205SC..Hα-helixtrans-63.3-49.4180-56.40000111.1V160 M164 K165 E166V160-T162 VanDerWaalsContact C-N 3.35Å; V160-T162 PolarHBondContact O-N 2.79Å; T162-M164 VanDerWaalsContact C-N 3.33Å; T162-M164 PolarHBondContact O-N 3.1Å; T162-K165 PolarHBondContact O-N 3.13Å; T162-K165 VanDerWaalsContact O-N 3.13Å; T162-E166 WeakPolarHBondContact O-CG 3.46Å; T162-E166 PolarHBondContact O-N 3.08Å
163T97.7Very high98.4Very high39 Ų3944.5 Ų44.524%0.23921%0.205CC..Hα-helixtrans-68.1-32.9-179.561.40000111.9Q113 V160 R167Q113-T163 PolarHBondContact OE1-OG1 3.43Å; V160-T163 PolarHBondContact O-N 3.41Å; V160-T163 PolarHBondContact O-OG1 3.26Å; V160-T163 VanDerWaalsContact O-OG1 3.05Å; T163-R167 VanDerWaalsContact O-CG 3.31Å; T163-R167 WeakPolarHBondContact O-CG 3.49Å; T163-R167 PolarHBondContact O-N 3.28Å
164M98.6Very high98.4Very high0 Ų044.5 Ų44.50%020%0.204CC..Hα-helixtrans-63.3-42.7170.5-71.8-175.8173.300112V119 L122 V160 I161 T162 R167 R168 M169 I172 I213V119-M164 HydrophobicContact CB-CE 4.37Å; V119-M164 HydrophobicContact CG1-CE 4Å; V119-M164 WeakPolarHBondContact O-CE 3.37Å; L122-M164 HydrophobicContact CB-CE 4.34Å; V160-M164 HydrophobicContact CB-CE 4.3Å; V160-M164 HydrophobicContact CG2-CE 3.85Å; V160-M164 HydrophobicContact CG2-SD 4.05Å; V160-M164 WeakPolarHBondContact O-CG 3.32Å; V160-M164 PolarHBondContact O-N 2.96Å; V160-M164 VanDerWaalsContact O-N 3.12Å; I161-M164 PolarHBondContact O-N 3.07Å; T162-M164 VanDerWaalsContact C-N 3.33Å; T162-M164 PolarHBondContact O-N 3.1Å; M164-R167 PolarHBondContact O-N 2.95Å; M164-R168 PolarHBondContact O-N 2.95Å; M164-M169 WeakPolarHBondContact CA-O 3.35Å; M164-M169 WeakPolarHBondContact CB-O 3.29Å; M164-M169 PolarHBondContact O-N 3.22Å; M164-M169 VanDerWaalsContact O-N 3.15Å; M164-I172 HydrophobicContact CE-CG1 4.29Å; M164-I172 HydrophobicContact SD-CD1 4.05Å; M164-I172 HydrophobicContact SD-CG1 3.92Å; M164-I213 HydrophobicContact CB-CD1 3.59Å; M164-I213 HydrophobicContact CB-CG1 4.12Å; M164-I213 HydrophobicContact SD-CG2 4.37Å
165K98.6Very high98.4Very high52 Ų5243.2 Ų43.223%0.22620%0.197CC..Hα-helixtrans-65.8-42.8-180-77.6-176.6176.6-179.50111.9I161 T162 R167 R168 Y211 I213I161-K165 HydrophobicContact CG1-CD 4.46Å; I161-K165 WeakPolarHBondContact O-CG 3.42Å; I161-K165 PolarHBondContact O-N 2.83Å; T162-K165 PolarHBondContact O-N 3.13Å; T162-K165 VanDerWaalsContact O-N 3.13Å; K165-R167 VanDerWaalsContact C-N 3.33Å; K165-R167 PolarHBondContact O-N 2.66Å; K165-R168 WeakPolarHBondContact O-CG 3.3Å; K165-R168 PolarHBondContact O-N 2.99Å; K165-R168 VanDerWaalsContact O-N 3.16Å; K165-Y211 HydrophobicContact CB-CD1 3.92Å; K165-Y211 HydrophobicContact CB-CE1 4.34Å; K165-Y211 HydrophobicContact CB-CG 4.12Å; K165-Y211 HydrophobicContact CD-CD1 4.49Å; K165-Y211 HydrophobicContact CD-CD2 4.05Å; K165-Y211 HydrophobicContact CD-CE1 4.45Å; K165-Y211 HydrophobicContact CD-CE2 4Å; K165-Y211 HydrophobicContact CD-CG 4.3Å; K165-Y211 HydrophobicContact CG-CD1 4.04Å; K165-Y211 HydrophobicContact CG-CD2 3.94Å; K165-Y211 HydrophobicContact CG-CE1 4.46Å; K165-Y211 HydrophobicContact CG-CE2 4.37Å; K165-Y211 HydrophobicContact CG-CG 3.76Å; K165-I213 HydrophobicContact CB-CD1 4.42Å; K165-I213 HydrophobicContact CG-CD1 3.73Å
166E98.1Very high98.3Very high145 Ų14541 Ų4168%0.67819%0.188SC*.Hα-helixtrans-58.9-43.8176.3-72.3169.7174.700111.9T162 R168T162-E166 WeakPolarHBondContact O-CG 3.46Å; T162-E166 PolarHBondContact O-N 3.08Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 2.97Å
167R97.6Very high98.3Very high86 Ų8641.7 Ų41.733%0.32519%0.193SC..Hα-helixtrans-80.2-9.5179.1-61.9-172.9-53.7139.7-3.8113.8P118 V119 D120 T163 M164 K165 M169P118-R167 VanDerWaalsContact CB-CZ 3.41Å; V119-R167 VanDerWaalsContact C-NH2 3.29Å; V119-R167 PolarHBondContact O-NH2 3.34Å; D120-R167 IonicContact OD1-CZ 3.77Å; D120-R167 VanDerWaalsContact OD1-CZ 3.31Å; D120-R167 IonicContact OD1-NH1 2.82Å; D120-R167 PolarHBondContact OD1-NH1 3.01Å; D120-R167 IonicContact OD1-NH2 3.52Å; D120-R167 PolarHBondContact OD1-NH2 3.09Å; T163-R167 VanDerWaalsContact O-CG 3.31Å; T163-R167 WeakPolarHBondContact O-CG 3.49Å; T163-R167 PolarHBondContact O-N 3.28Å; M164-R167 PolarHBondContact O-N 2.95Å; K165-R167 VanDerWaalsContact C-N 3.33Å; K165-R167 PolarHBondContact O-N 2.66Å; R167-M169 PolarHBondContact O-N 2.98Å
168R97.7Very high98.2Very high148 Ų14842.6 Ų42.656%0.55820%0.196SC*.THydrogen-bonded Turntrans49.442.3-171.5-63.1180169.9-99.50.6112.8M164 K165 E166 P210 Y211 N212M164-R168 PolarHBondContact O-N 2.95Å; K165-R168 WeakPolarHBondContact O-CG 3.3Å; K165-R168 PolarHBondContact O-N 2.99Å; K165-R168 VanDerWaalsContact O-N 3.16Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 2.97Å; R168-P210 PolarHBondContact NH1-O 3.22Å; R168-Y211 CarbonylContact C-O 3.53Å; R168-Y211 WeakPolarHBondContact CA-O 3.49Å; R168-Y211 WeakPolarHBondContact CB-O 3.26Å; R168-N212 WeakPolarHBondContact O-CB 3.4Å; R168-N212 PolarHBondContact O-ND2 3Å
169M96.8Very high98Very high81 Ų8135.1 Ų35.140%0.39917%0.169SC..  trans-153.1129.9-177.2177.6176.5-81.600109.4L32 M164 R167L32-M169 HydrophobicContact CD1-CG 4.47Å; L32-M169 HydrophobicContact CD1-SD 4.27Å; M164-M169 WeakPolarHBondContact CA-O 3.35Å; M164-M169 WeakPolarHBondContact CB-O 3.29Å; M164-M169 PolarHBondContact O-N 3.22Å; M164-M169 VanDerWaalsContact O-N 3.15Å; R167-M169 PolarHBondContact O-N 2.98Å
170G98.1Very high97.9Very high0 Ų034.3 Ų34.30%016%0.162CC..EExtended strand (participates in β ladder)trans179.3158.5172.200000112.9D120 I213 Y214D120-G170 CarbonylContact O-C 3.5Å; D120-G170 WeakPolarHBondContact O-CA 3.05Å; G170-I213 WeakPolarHBondContact O-CA 3.4Å; G170-Y214 PolarHBondContact O-N 2.85Å
171R98.8Very high97.8Very high5 Ų534.8 Ų34.82%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-130.2133.3166.5-67.6-58.5-172.4-87.4-1.4109.4K30 L32 D120 M121 L122 Y214 A262 V263K30-R171 PolarHBondContact O-NH2 2.87Å; L32-R171 HydrophobicContact CB-CG 4.04Å; L32-R171 HydrophobicContact CD2-CB 4.29Å; L32-R171 HydrophobicContact CD2-CG 3.77Å; L32-R171 HydrophobicContact CG-CG 4.47Å; D120-R171 PolarHBondContact O-N 3.23Å; M121-R171 CarbonylContact C-O 3.55Å; M121-R171 VanDerWaalsContact CA-O 3.25Å; M121-R171 WeakPolarHBondContact CA-O 3.46Å; M121-R171 HydrophobicContact CB-CB 4.05Å; M121-R171 HydrophobicContact CE-CB 4.44Å; M121-R171 HydrophobicContact CG-CB 3.73Å; M121-R171 HydrophobicContact SD-CB 4.28Å; L122-R171 PolarHBondContact N-O 3.39Å; R171-Y214 WeakPolarHBondContact CA-O 3.28Å; R171-A262 WeakPolarHBondContact CD-O 3.36Å; R171-A262 WeakPolarHBondContact CG-O 3.37Å; R171-A262 PolarHBondContact NE-O 2.99Å; R171-A262 VanDerWaalsContact NE-O 3.1Å; R171-V263 PolarHBondContact NE-O 2.76Å; R171-V263 PolarHBondContact NH2-O 3.21Å
172I98.9Very high97.6Very high0 Ų035.8 Ų35.80%017%0.17CC..EExtended strand (participates in β ladder)trans-127119.8176.7-60168.8000107.4L122 T157 I161 M164 F174 L204 I213 Y214 V215 T216L122-I172 CarbonylContact O-C 3.45Å; L122-I172 WeakPolarHBondContact O-CA 3.24Å; T157-I172 HydrophobicContact CG2-CD1 4.05Å; T157-I172 HydrophobicContact CG2-CG2 4.39Å; I161-I172 HydrophobicContact CD1-CD1 3.72Å; M164-I172 HydrophobicContact CE-CG1 4.29Å; M164-I172 HydrophobicContact SD-CD1 4.05Å; M164-I172 HydrophobicContact SD-CG1 3.92Å; I172-F174 HydrophobicContact CG2-CD2 4.44Å; I172-F174 HydrophobicContact CG2-CE1 4.29Å; I172-F174 HydrophobicContact CG2-CE2 3.87Å; I172-F174 HydrophobicContact CG2-CZ 3.79Å; I172-L204 HydrophobicContact CD1-CD2 4.2Å; I172-I213 HydrophobicContact CD1-CG2 4.19Å; I172-Y214 PolarHBondContact N-O 3.4Å; I172-V215 CarbonylContact O-C 3.43Å; I172-V215 VanDerWaalsContact O-CA 3.23Å; I172-V215 WeakPolarHBondContact O-CA 3.49Å; I172-T216 PolarHBondContact O-N 3.44Å
173M98.9Very high97.4Very high0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-107.3132173.6-175-169-67.100109.8I52 M121 L122 I123 N124 V175 T216 A218 F258 A262I52-M173 HydrophobicContact CD1-SD 4.16Å; M121-M173 HydrophobicContact CE-CE 4.25Å; L122-M173 PolarHBondContact O-N 3.18Å; I123-M173 HydrophobicContact CD1-CB 3.65Å; I123-M173 HydrophobicContact CD1-CE 3.96Å; I123-M173 HydrophobicContact CD1-CG 4.49Å; I123-M173 HydrophobicContact CD1-SD 4.11Å; I123-M173 HydrophobicContact CG2-CB 4.4Å; I123-M173 HydrophobicContact CG2-SD 3.97Å; N124-M173 WeakPolarHBondContact CB-O 3.41Å; N124-M173 PolarHBondContact N-O 3.38Å; M173-V175 HydrophobicContact CG-CG2 4.36Å; M173-V175 HydrophobicContact SD-CG2 3.92Å; M173-T216 CarbonylContact C-O 3.58Å; M173-T216 VanDerWaalsContact CA-O 3.23Å; M173-T216 WeakPolarHBondContact CA-O 3.43Å; M173-T216 HydrophobicContact CG-CG2 4.43Å; M173-A218 HydrophobicContact CG-CB 4.16Å; M173-A218 HydrophobicContact SD-CB 4.12Å; M173-F258 VanDerWaalsContact CE-C 3.48Å; M173-F258 HydrophobicContact CE-CB 3.75Å; M173-F258 WeakPolarHBondContact CE-O 3.23Å; M173-F258 HydrophobicContact SD-CB 4.06Å; M173-A262 HydrophobicContact CB-CB 4.48Å; M173-A262 HydrophobicContact CE-CB 3.28Å
174F98.9Very high97.2Very high0 Ų034.3 Ų34.30%017%0.17CC..EExtended strand (participates in β ladder)trans-106117.8165-62-70.8000108.8N124 T157 I172 S176 L197 L200 A201 L204 V215 T216 L217 A218N124-F174 HydrophobicContact CB-CD1 3.78Å; N124-F174 HydrophobicContact CB-CE1 4.27Å; N124-F174 VanDerWaalsContact ND2-CE1 3.25Å; N124-F174 WeakPolarHBondContact ND2-CE1 3.23Å; T157-F174 HydrophobicContact CG2-CZ 4.23Å; T157-F174 WeakPolarHBondContact OG1-CE1 3.4Å; I172-F174 HydrophobicContact CG2-CD2 4.44Å; I172-F174 HydrophobicContact CG2-CE1 4.29Å; I172-F174 HydrophobicContact CG2-CE2 3.87Å; I172-F174 HydrophobicContact CG2-CZ 3.79Å; F174-S176 PolarHBondContact O-N 3.1Å; F174-L197 HydrophobicContact CD1-CD2 4.21Å; F174-L200 HydrophobicContact CE1-CD2 3.94Å; F174-L200 HydrophobicContact CZ-CD2 3.91Å; F174-L200 HydrophobicContact CZ-CG 4.21Å; F174-A201 HydrophobicContact CD2-CB 3.85Å; F174-A201 HydrophobicContact CE2-CB 4.23Å; F174-L204 HydrophobicContact CE2-CD2 4.02Å; F174-L204 HydrophobicContact CZ-CD2 3.96Å; F174-V215 HydrophobicContact CD2-CG1 3.71Å; F174-V215 HydrophobicContact CE2-CG1 3.69Å; F174-T216 PolarHBondContact N-O 3.47Å; F174-L217 HydrophobicContact CB-CD1 3.87Å; F174-A218 PolarHBondContact O-N 3.28Å
175V98.8Very high97.1Very high8 Ų837 Ų375%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-8595.6174-174.20000108.6I52 I123 N124 C125 M173 K194 P220 F258I52-V175 HydrophobicContact CD1-CG2 4.26Å; I123-V175 HydrophobicContact CG2-CG2 4.2Å; N124-V175 PolarHBondContact O-N 2.91Å; C125-V175 HydrophobicContact CB-CB 4.14Å; C125-V175 HydrophobicContact CB-CG2 3.69Å; M173-V175 HydrophobicContact CG-CG2 4.36Å; M173-V175 HydrophobicContact SD-CG2 3.92Å; V175-K194 PolarHBondContact O-NZ 3.09Å; V175-P220 HydrophobicContact CG1-CG 3.93Å; V175-F258 HydrophobicContact CG1-CE2 4.42Å
176S98.4Very high97Very high1 Ų134.8 Ų34.81%0.00717%0.173CC..  trans-82.9-128.2175.2-172.10000110.2F174 K194 A218F174-S176 PolarHBondContact O-N 3.1Å; S176-K194 PolarHBondContact OG-O 2.69Å; S176-A218 WeakPolarHBondContact CA-O 3.41Å; S176-A218 PolarHBondContact N-O 2.88Å
177S97.5Very high97Very high15 Ų1528.2 Ų28.211%0.10514%0.142CC..  trans-167.9159.1176.3174.90000108.5A179 G180 Y190 F219S177-A179 PolarHBondContact O-N 3.28Å; S177-A179 WeakPolarHBondContact OG-CB 3.15Å; S177-A179 PolarHBondContact OG-N 2.98Å; S177-G180 VanDerWaalsContact O-CA 3.32Å; S177-G180 WeakPolarHBondContact O-CA 3.4Å; S177-G180 PolarHBondContact O-N 3.06Å; S177-Y190 WeakPolarHBondContact CB-OH 3.23Å; S177-F219 VanDerWaalsContact O-CD1 3.32Å; S177-F219 WeakPolarHBondContact O-CD1 3.29Å
178Q96.3Very high96.9Very high28 Ų2826.8 Ų26.813%0.13114%0.143CC..G310 helixtrans-54.4-31.9162.9-69.1-172.87.300111.8G180 Q181 I182 P220 L278Q178-G180 PolarHBondContact O-N 2.74Å; Q178-G180 VanDerWaalsContact O-N 3.14Å; Q178-Q181 WeakPolarHBondContact O-CB 3.33Å; Q178-Q181 PolarHBondContact O-N 3.46Å; Q178-I182 PolarHBondContact O-N 2.92Å; Q178-P220 PolarHBondContact N-O 3.19Å; Q178-P220 VanDerWaalsContact N-O 3.1Å; Q178-L278 HydrophobicContact CB-CD2 3.84Å; Q178-L278 HydrophobicContact CG-CD2 4.08Å
179A95.6Very high96.8Very high3 Ų319.9 Ų19.93%0.02512%0.118CC..G310 helixtrans-67.2-7.5171.500000114S177 I182 Y187 Y190 S191 F195S177-A179 PolarHBondContact O-N 3.28Å; S177-A179 WeakPolarHBondContact OG-CB 3.15Å; S177-A179 PolarHBondContact OG-N 2.98Å; A179-I182 CarbonylContact C-O 3.55Å; A179-I182 WeakPolarHBondContact CA-O 3.35Å; A179-I182 VanDerWaalsContact O-O 3.13Å; A179-Y187 HydrophobicContact CB-CD2 4.17Å; A179-Y190 HydrophobicContact CB-CD1 3.95Å; A179-Y190 HydrophobicContact CB-CE1 3.79Å; A179-S191 VanDerWaalsContact O-CA 3.27Å; A179-S191 WeakPolarHBondContact O-CA 3.41Å; A179-S191 WeakPolarHBondContact O-CB 3.22Å; A179-S191 PolarHBondContact O-OG 3.43Å; A179-F195 WeakPolarHBondContact O-CD2 3.34Å; A179-F195 VanDerWaalsContact O-CE2 3.28Å; A179-F195 WeakPolarHBondContact O-CE2 3.42Å
180G96.4Very high96.9Very high0 Ų017.1 Ų17.10%010%0.103CC..G310 helixtrans-89.60.7168.200000114S177 Q178 F195S177-G180 VanDerWaalsContact O-CA 3.32Å; S177-G180 WeakPolarHBondContact O-CA 3.4Å; S177-G180 PolarHBondContact O-N 3.06Å; Q178-G180 PolarHBondContact O-N 2.74Å; Q178-G180 VanDerWaalsContact O-N 3.14Å; G180-F195 VanDerWaalsContact C-CD2 3.46Å; G180-F195 VanDerWaalsContact C-CE2 3.41Å; G180-F195 WeakPolarHBondContact O-CD2 3.43Å; G180-F195 WeakPolarHBondContact O-CG 3.25Å
181Q95.8Very high96.9Very high10 Ų1017.4 Ų17.45%0.04711%0.105CC..THydrogen-bonded Turntrans-116.9-31.5177.5-58.8178-92.400112.1Q178 F195 F219 L278 S279 T282Q178-Q181 WeakPolarHBondContact O-CB 3.33Å; Q178-Q181 PolarHBondContact O-N 3.46Å; Q181-F195 VanDerWaalsContact O-CZ 3.3Å; Q181-F195 WeakPolarHBondContact O-CZ 3.15Å; Q181-F219 VanDerWaalsContact CD-CG 3.49Å; Q181-F219 HydrophobicContact CG-CD1 3.47Å; Q181-F219 VanDerWaalsContact CG-CD1 3.47Å; Q181-F219 HydrophobicContact CG-CD2 4.39Å; Q181-F219 HydrophobicContact CG-CE1 3.37Å; Q181-F219 HydrophobicContact CG-CE2 4.32Å; Q181-F219 HydrophobicContact CG-CG 3.96Å; Q181-F219 HydrophobicContact CG-CZ 3.79Å; Q181-L278 HydrophobicContact CB-CD1 4.46Å; Q181-L278 HydrophobicContact CB-CD2 4.05Å; Q181-L278 HydrophobicContact CB-CG 4.05Å; Q181-S279 PolarHBondContact NE2-OG 3.44Å; Q181-T282 HydrophobicContact CB-CG2 4.15Å; Q181-T282 PolarHBondContact NE2-OG1 3.49Å
182I94.4Very high96.8Very high45 Ų4519.8 Ų19.823%0.23113%0.126CC..SBendtrans-131.9138.2175-173.5168.5000109.9Q178 A179 L184 L278 L312 F315Q178-I182 PolarHBondContact O-N 2.92Å; A179-I182 CarbonylContact C-O 3.55Å; A179-I182 WeakPolarHBondContact CA-O 3.35Å; A179-I182 VanDerWaalsContact O-O 3.13Å; I182-L184 HydrophobicContact CD1-CD2 4.46Å; I182-L184 HydrophobicContact CG1-CD2 4.31Å; I182-L184 HydrophobicContact CG2-CD2 3.98Å; I182-L184 HydrophobicContact CG2-CG 4.34Å; I182-L278 HydrophobicContact CB-CD1 4.35Å; I182-L278 HydrophobicContact CG2-CD1 4.33Å; I182-L278 HydrophobicContact CG2-CD2 4.12Å; I182-L312 HydrophobicContact CD1-CD2 4.25Å; I182-F315 HydrophobicContact CD1-CE2 4.33Å
183G94.2Very high96.8Very high56 Ų5619.8 Ų19.858%0.57713%0.126SC*.  trans-78.4130.7171.100000110.3
184L93.8Very high96.8Very high37 Ų3720.3 Ų20.319%0.19413%0.128CC..  trans-118155.4179-54.8174.8000110.8I182 G186 Y187 I242 F315I182-L184 HydrophobicContact CD1-CD2 4.46Å; I182-L184 HydrophobicContact CG1-CD2 4.31Å; I182-L184 HydrophobicContact CG2-CD2 3.98Å; I182-L184 HydrophobicContact CG2-CG 4.34Å; L184-G186 PolarHBondContact O-N 2.86Å; L184-Y187 HydrophobicContact CB-CD2 3.9Å; L184-Y187 HydrophobicContact CD1-CD2 4.04Å; L184-Y187 HydrophobicContact CD1-CE2 4.13Å; L184-Y187 HydrophobicContact CG-CD2 4.45Å; L184-Y187 PolarHBondContact O-N 2.96Å; L184-I242 HydrophobicContact CD1-CG2 4.43Å; L184-I242 HydrophobicContact CD2-CG2 3.98Å; L184-F315 HydrophobicContact CD2-CE2 4.27Å
185F96.4Very high96.7Very high58 Ų5824.1 Ų24.125%0.25415%0.145SC..THydrogen-bonded Turntrans-52.8134.8172-173-80.1000110K133 Y187 P236 E238 T239 I242 V319K133-F185 HydrophobicContact CD-CZ 4.22Å; K133-F185 HydrophobicContact CG-CE1 4.07Å; K133-F185 HydrophobicContact CG-CZ 3.92Å; F185-Y187 VanDerWaalsContact C-N 3.27Å; F185-Y187 PolarHBondContact O-N 2.88Å; F185-P236 HydrophobicContact CD1-CB 4.42Å; F185-P236 HydrophobicContact CE1-CB 3.95Å; F185-P236 HydrophobicContact CE1-CG 4.4Å; F185-E238 HydrophobicContact CB-CB 4.33Å; F185-E238 HydrophobicContact CD1-CB 3.43Å; F185-E238 VanDerWaalsContact CD1-CB 3.43Å; F185-E238 HydrophobicContact CD1-CG 4.05Å; F185-E238 HydrophobicContact CD2-CB 4.39Å; F185-E238 HydrophobicContact CD2-CG 4.49Å; F185-E238 HydrophobicContact CE1-CB 3.72Å; F185-E238 VanDerWaalsContact CE1-CD 3.44Å; F185-E238 HydrophobicContact CE1-CG 3.87Å; F185-E238 HydrophobicContact CE2-CG 4.33Å; F185-E238 HydrophobicContact CG-CB 3.8Å; F185-E238 HydrophobicContact CG-CG 4.35Å; F185-E238 HydrophobicContact CZ-CB 4.32Å; F185-E238 HydrophobicContact CZ-CG 4.02Å; F185-E238 VanDerWaalsContact CZ-OE1 3.25Å; F185-E238 WeakPolarHBondContact CZ-OE1 3.23Å; F185-T239 WeakPolarHBondContact O-CG2 3.42Å; F185-T239 PolarHBondContact O-OG1 3.37Å; F185-I242 HydrophobicContact CB-CD1 4.08Å; F185-V319 HydrophobicContact CB-CG2 4.22Å; F185-V319 HydrophobicContact CD2-CG1 4.01Å; F185-V319 HydrophobicContact CD2-CG2 3.88Å; F185-V319 HydrophobicContact CE2-CG1 4.06Å; F185-V319 HydrophobicContact CG-CG2 4.25Å
186G95.9Very high96.7Very high4 Ų425.2 Ų25.24%0.04116%0.155CC..THydrogen-bonded Turntrans78.6-1.8177.200000115.7S131 A132 L184S131-G186 CarbonylContact C-O 3.58Å; S131-G186 WeakPolarHBondContact CA-O 3.22Å; S131-G186 PolarHBondContact OG-O 2.91Å; A132-G186 PolarHBondContact N-O 3.37Å; A132-G186 CarbonylContact O-C 3.53Å; A132-G186 VanDerWaalsContact O-CA 3.23Å; A132-G186 WeakPolarHBondContact O-CA 3.43Å; A132-G186 VanDerWaalsContact O-O 3.13Å; L184-G186 PolarHBondContact O-N 2.86Å
187Y96.8Very high96.7Very high8 Ų825.2 Ų25.23%0.03115%0.154CC..  trans-113.427.8178.3-71.4-39.9000113.5A179 L184 F185 A189 Y190 S191 E231 K235 T239A179-Y187 HydrophobicContact CB-CD2 4.17Å; L184-Y187 HydrophobicContact CB-CD2 3.9Å; L184-Y187 HydrophobicContact CD1-CD2 4.04Å; L184-Y187 HydrophobicContact CD1-CE2 4.13Å; L184-Y187 HydrophobicContact CG-CD2 4.45Å; L184-Y187 PolarHBondContact O-N 2.96Å; F185-Y187 VanDerWaalsContact C-N 3.27Å; F185-Y187 PolarHBondContact O-N 2.88Å; Y187-A189 VanDerWaalsContact C-N 3.27Å; Y187-A189 PolarHBondContact O-N 3.26Å; Y187-Y190 AromaticContact CD1-CD1 3.98Å; Y187-Y190 HydrophobicContact CD1-CD1 3.98Å; Y187-Y190 HydrophobicContact CD1-CG 4.36Å; Y187-Y190 HydrophobicContact CD2-CD1 4.47Å; Y187-Y190 HydrophobicContact CE1-CD1 4.33Å; Y187-Y190 HydrophobicContact CG-CD1 4.08Å; Y187-Y190 PolarHBondContact O-N 3.47Å; Y187-S191 WeakPolarHBondContact O-CA 3.43Å; Y187-S191 WeakPolarHBondContact O-CB 3.46Å; Y187-S191 PolarHBondContact O-N 3.19Å; Y187-S191 PolarHBondContact O-OG 2.89Å; Y187-E231 WeakPolarHBondContact CE1-OE1 3.48Å; Y187-E231 PolarHBondContact OH-OE1 2.96Å; Y187-K235 VanDerWaalsContact OH-CE 3.31Å; Y187-K235 WeakPolarHBondContact OH-CE 3.25Å; Y187-K235 PolarHBondContact OH-NZ 3.47Å; Y187-T239 HydrophobicContact CD2-CG2 4.32Å; Y187-T239 HydrophobicContact CE1-CG2 4.28Å; Y187-T239 HydrophobicContact CE2-CG2 3.77Å
188T96.8Very high96.7Very high55 Ų5526.3 Ų26.334%0.33716%0.156SC..Hα-helixtrans-52.6-44.2-177.449.80000113F134 A192F134-T188 HydrophobicContact CB-CG2 4.25Å; F134-T188 HydrophobicContact CD2-CG2 3.93Å; T188-A192 VanDerWaalsContact O-CB 3.28Å; T188-A192 WeakPolarHBondContact O-CB 3.32Å; T188-A192 PolarHBondContact O-N 2.95Å
189A96.4Very high96.8Very high3 Ų327.1 Ų27.13%0.02517%0.172CC..Hα-helixtrans-77.9-45.2175.900000113.1M137 F142 M145 Y187 A192 S193M137-A189 HydrophobicContact CE-CB 4.36Å; F142-A189 HydrophobicContact CD1-CB 3.39Å; F142-A189 HydrophobicContact CD2-CB 4.31Å; F142-A189 HydrophobicContact CE1-CB 3.52Å; F142-A189 HydrophobicContact CE2-CB 4.43Å; F142-A189 HydrophobicContact CG-CB 3.81Å; F142-A189 HydrophobicContact CZ-CB 4.06Å; M145-A189 HydrophobicContact CE-CB 3.16Å; M145-A189 HydrophobicContact SD-CB 3.7Å; Y187-A189 VanDerWaalsContact C-N 3.27Å; Y187-A189 PolarHBondContact O-N 3.26Å; A189-A192 PolarHBondContact O-N 3.5Å; A189-S193 PolarHBondContact O-N 2.91Å; A189-S193 VanDerWaalsContact O-N 3.13Å
190Y97.3Very high97Very high23 Ų2328.7 Ų28.79%0.0918%0.18CC..Hα-helixtrans-64.7-53.2-177.3177.8-112.1000111.8T128 M145 S177 A179 Y187 A192 S193 K194T128-Y190 WeakPolarHBondContact O-CD2 3.42Å; T128-Y190 WeakPolarHBondContact O-CE2 3.43Å; M145-Y190 PolarHBondContact SD-N 3.32Å; S177-Y190 WeakPolarHBondContact CB-OH 3.23Å; A179-Y190 HydrophobicContact CB-CD1 3.95Å; A179-Y190 HydrophobicContact CB-CE1 3.79Å; Y187-Y190 AromaticContact CD1-CD1 3.98Å; Y187-Y190 HydrophobicContact CD1-CD1 3.98Å; Y187-Y190 HydrophobicContact CD1-CG 4.36Å; Y187-Y190 HydrophobicContact CD2-CD1 4.47Å; Y187-Y190 HydrophobicContact CE1-CD1 4.33Å; Y187-Y190 HydrophobicContact CG-CD1 4.08Å; Y187-Y190 PolarHBondContact O-N 3.47Å; Y190-A192 VanDerWaalsContact C-N 3.35Å; Y190-A192 PolarHBondContact O-N 2.86Å; Y190-S193 PolarHBondContact O-N 3.36Å; Y190-S193 VanDerWaalsContact O-N 3.15Å; Y190-S193 PolarHBondContact O-OG 2.95Å; Y190-K194 HydrophobicContact CD2-CG 4.2Å; Y190-K194 HydrophobicContact CE1-CG 4.14Å; Y190-K194 HydrophobicContact CE2-CD 4.25Å; Y190-K194 VanDerWaalsContact CE2-CE 3.5Å; Y190-K194 HydrophobicContact CE2-CG 3.8Å; Y190-K194 WeakPolarHBondContact O-CG 3.45Å; Y190-K194 PolarHBondContact O-N 3.48Å; Y190-K194 WeakPolarHBondContact OH-CE 3.45Å
191S97.6Very high97.1Very high7 Ų728.7 Ų28.75%0.04918%0.18CC..Hα-helixtrans-54.4-49.5175.2-740000110.9A179 Y187 S193 K194 F195A179-S191 VanDerWaalsContact O-CA 3.27Å; A179-S191 WeakPolarHBondContact O-CA 3.41Å; A179-S191 WeakPolarHBondContact O-CB 3.22Å; A179-S191 PolarHBondContact O-OG 3.43Å; Y187-S191 WeakPolarHBondContact O-CA 3.43Å; Y187-S191 WeakPolarHBondContact O-CB 3.46Å; Y187-S191 PolarHBondContact O-N 3.19Å; Y187-S191 PolarHBondContact O-OG 2.89Å; S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.44Å; S191-K194 CarbonylContact O-C 3.59Å; S191-K194 PolarHBondContact O-N 2.99Å; S191-F195 WeakPolarHBondContact O-CB 3.03Å; S191-F195 VanDerWaalsContact O-CD2 3.24Å; S191-F195 WeakPolarHBondContact O-CD2 3.27Å; S191-F195 PolarHBondContact O-N 3.49Å
192A97.9Very high97.2Very high54 Ų5430.6 Ų30.645%0.44619%0.189SC..Hα-helixtrans-53.4-45.2178.500000112.4T188 A189 Y190 K194 F195 A196T188-A192 VanDerWaalsContact O-CB 3.28Å; T188-A192 WeakPolarHBondContact O-CB 3.32Å; T188-A192 PolarHBondContact O-N 2.95Å; A189-A192 PolarHBondContact O-N 3.5Å; Y190-A192 VanDerWaalsContact C-N 3.35Å; Y190-A192 PolarHBondContact O-N 2.86Å; A192-K194 PolarHBondContact O-N 3.03Å; A192-F195 PolarHBondContact O-N 3.41Å; A192-A196 PolarHBondContact O-N 3.45Å; A192-A196 VanDerWaalsContact O-N 3.09Å
193S98.3Very high97.4Very high0 Ų030.4 Ų30.40%019%0.194CC..Hα-helixtrans-65-35.4177.378.40000113.9N149 A189 Y190 S191 A196N149-S193 PolarHBondContact ND2-OG 3.31Å; A189-S193 PolarHBondContact O-N 2.91Å; A189-S193 VanDerWaalsContact O-N 3.13Å; Y190-S193 PolarHBondContact O-N 3.36Å; Y190-S193 VanDerWaalsContact O-N 3.15Å; Y190-S193 PolarHBondContact O-OG 2.95Å; S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.44Å; S193-A196 WeakPolarHBondContact O-CB 3.36Å; S193-A196 PolarHBondContact O-N 3.45Å
194K98.3Very high97.6Very high12 Ų1228.5 Ų28.55%0.05217%0.17CC..Hα-helixtrans-80.5-29.9-179.8-67.8-58.6-168.3175.10113.1V175 S176 Y190 S191 A192 A196 L197V175-K194 PolarHBondContact O-NZ 3.09Å; S176-K194 PolarHBondContact OG-O 2.69Å; Y190-K194 HydrophobicContact CD2-CG 4.2Å; Y190-K194 HydrophobicContact CE1-CG 4.14Å; Y190-K194 HydrophobicContact CE2-CD 4.25Å; Y190-K194 VanDerWaalsContact CE2-CE 3.5Å; Y190-K194 HydrophobicContact CE2-CG 3.8Å; Y190-K194 WeakPolarHBondContact O-CG 3.45Å; Y190-K194 PolarHBondContact O-N 3.48Å; Y190-K194 WeakPolarHBondContact OH-CE 3.45Å; S191-K194 CarbonylContact O-C 3.59Å; S191-K194 PolarHBondContact O-N 2.99Å; A192-K194 PolarHBondContact O-N 3.03Å; K194-A196 VanDerWaalsContact C-N 3.35Å; K194-L197 HydrophobicContact CD-CD1 4.06Å; K194-L197 PolarHBondContact O-N 3.34Å
195F98.4Very high97.8Very high79 Ų7927.1 Ų27.135%0.34616%0.163SC..Hα-helixtrans-66.5-36167.8-89.5-101.7000111.5A179 G180 Q181 S191 A192 L197 R198 G199A179-F195 WeakPolarHBondContact O-CD2 3.34Å; A179-F195 VanDerWaalsContact O-CE2 3.28Å; A179-F195 WeakPolarHBondContact O-CE2 3.42Å; G180-F195 VanDerWaalsContact C-CD2 3.46Å; G180-F195 VanDerWaalsContact C-CE2 3.41Å; G180-F195 WeakPolarHBondContact O-CD2 3.43Å; G180-F195 WeakPolarHBondContact O-CG 3.25Å; Q181-F195 VanDerWaalsContact O-CZ 3.3Å; Q181-F195 WeakPolarHBondContact O-CZ 3.15Å; S191-F195 WeakPolarHBondContact O-CB 3.03Å; S191-F195 VanDerWaalsContact O-CD2 3.24Å; S191-F195 WeakPolarHBondContact O-CD2 3.27Å; S191-F195 PolarHBondContact O-N 3.49Å; A192-F195 PolarHBondContact O-N 3.41Å; F195-L197 PolarHBondContact O-N 3.12Å; F195-R198 VanDerWaalsContact O-CB 3.27Å; F195-R198 WeakPolarHBondContact O-CB 3.48Å; F195-R198 PolarHBondContact O-N 2.99Å; F195-G199 PolarHBondContact O-N 3.02Å
196A98.6Very high97.8Very high31 Ų3131.1 Ų31.126%0.25618%0.184SC..Hα-helixtrans-59.2-35.5176.800000112.6Y150 A192 S193 K194 R198 G199 L200Y150-A196 HydrophobicContact CD2-CB 3.63Å; Y150-A196 HydrophobicContact CE2-CB 4.08Å; Y150-A196 HydrophobicContact CG-CB 4.15Å; A192-A196 PolarHBondContact O-N 3.45Å; A192-A196 VanDerWaalsContact O-N 3.09Å; S193-A196 WeakPolarHBondContact O-CB 3.36Å; S193-A196 PolarHBondContact O-N 3.45Å; K194-A196 VanDerWaalsContact C-N 3.35Å; A196-R198 PolarHBondContact O-N 3.13Å; A196-G199 PolarHBondContact O-N 3.48Å; A196-L200 PolarHBondContact O-N 3.19Å; A196-L200 VanDerWaalsContact O-N 3.12Å
197L98.7Very high97.9Very high1 Ų136.4 Ų36.41%0.00521%0.208CC..Hα-helixtrans-61.7-30.6174-68.8176.9000113N149 Y150 F174 K194 F195 L200 A201 L217N149-L197 WeakPolarHBondContact O-CD2 3.31Å; Y150-L197 HydrophobicContact CD2-CD2 4.28Å; F174-L197 HydrophobicContact CD1-CD2 4.21Å; K194-L197 HydrophobicContact CD-CD1 4.06Å; K194-L197 PolarHBondContact O-N 3.34Å; F195-L197 PolarHBondContact O-N 3.12Å; L197-L200 HydrophobicContact CD2-CD2 4.47Å; L197-A201 VanDerWaalsContact O-CB 3.25Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.35Å; L197-L217 HydrophobicContact CB-CD1 4.3Å
198R97.8Very high98Very high39 Ų3936 Ų3615%0.14721%0.206CC..Hα-helixtrans-66.5-48.8176.3-178179.6174.2164.64.6111.6F195 A196 L200 A201 E202 L217 T282 C283 S286F195-R198 VanDerWaalsContact O-CB 3.27Å; F195-R198 WeakPolarHBondContact O-CB 3.48Å; F195-R198 PolarHBondContact O-N 2.99Å; A196-R198 PolarHBondContact O-N 3.13Å; R198-L200 VanDerWaalsContact C-N 3.29Å; R198-L200 PolarHBondContact O-N 3.49Å; R198-A201 PolarHBondContact O-N 2.89Å; R198-E202 HydrophobicContact CG-CG 4.35Å; R198-E202 IonicContact CZ-OE1 3.34Å; R198-E202 IonicContact NE-OE1 2.67Å; R198-E202 PolarHBondContact NE-OE1 3.44Å; R198-E202 IonicContact NH2-OE1 2.74Å; R198-E202 PolarHBondContact NH2-OE1 2.77Å; R198-E202 WeakPolarHBondContact O-CG 3.26Å; R198-E202 PolarHBondContact O-N 3.32Å; R198-L217 HydrophobicContact CB-CD2 3.79Å; R198-L217 HydrophobicContact CG-CD2 3.83Å; R198-T282 PolarHBondContact NH1-O 3.46Å; R198-T282 PolarHBondContact NH2-O 3.48Å; R198-C283 PolarHBondContact NH2-O 2.89Å; R198-C283 VanDerWaalsContact NH2-O 3.15Å; R198-S286 PolarHBondContact NH2-OG 2.85Å
199G98.3Very high97.9Very high45 Ų4538.6 Ų38.646%0.46421%0.213SC..Hα-helixtrans-58.2-43176.600000111.9F195 A196 A203F195-G199 PolarHBondContact O-N 3.02Å; A196-G199 PolarHBondContact O-N 3.48Å; G199-A203 WeakPolarHBondContact O-CB 3.37Å; G199-A203 PolarHBondContact O-N 3.29Å; G199-A203 VanDerWaalsContact O-N 3.14Å
200L98.7Very high97.9Very high36 Ų3642.7 Ų42.719%0.18824%0.239CC..Hα-helixtrans-61.4-48.3174.1175.563.7000112.3Y150 V154 F174 A196 L197 R198 L204Y150-L200 HydrophobicContact CE2-CB 3.93Å; Y150-L200 HydrophobicContact CE2-CD2 4.06Å; V154-L200 HydrophobicContact CG2-CD2 3.82Å; F174-L200 HydrophobicContact CE1-CD2 3.94Å; F174-L200 HydrophobicContact CZ-CD2 3.91Å; F174-L200 HydrophobicContact CZ-CG 4.21Å; A196-L200 PolarHBondContact O-N 3.19Å; A196-L200 VanDerWaalsContact O-N 3.12Å; L197-L200 HydrophobicContact CD2-CD2 4.47Å; R198-L200 VanDerWaalsContact C-N 3.29Å; R198-L200 PolarHBondContact O-N 3.49Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 PolarHBondContact O-N 2.83Å
201A98.6Very high97.9Very high0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-64.3-44.4-176.800000112.3F174 L197 R198 Q205 V215 L217 F267F174-A201 HydrophobicContact CD2-CB 3.85Å; F174-A201 HydrophobicContact CE2-CB 4.23Å; L197-A201 VanDerWaalsContact O-CB 3.25Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.35Å; R198-A201 PolarHBondContact O-N 2.89Å; A201-Q205 VanDerWaalsContact O-CB 3.28Å; A201-Q205 WeakPolarHBondContact O-CB 3.43Å; A201-Q205 PolarHBondContact O-N 3.31Å; A201-V215 HydrophobicContact CB-CG1 3.83Å; A201-L217 HydrophobicContact CB-CB 4.37Å; A201-L217 HydrophobicContact CB-CD1 4.27Å; A201-L217 HydrophobicContact CB-CD2 4.3Å; A201-F267 HydrophobicContact CB-CE2 4.25Å; A201-F267 HydrophobicContact CB-CZ 4.03Å
202E98.1Very high97.8Very high50 Ų5048.4 Ų48.423%0.23427%0.265CS..Hα-helixtrans-63.9-45.5179-71.2178.6177.800111.4R198 F267 S286R198-E202 HydrophobicContact CG-CG 4.35Å; R198-E202 IonicContact CZ-OE1 3.34Å; R198-E202 IonicContact NE-OE1 2.67Å; R198-E202 PolarHBondContact NE-OE1 3.44Å; R198-E202 IonicContact NH2-OE1 2.74Å; R198-E202 PolarHBondContact NH2-OE1 2.77Å; R198-E202 WeakPolarHBondContact O-CG 3.26Å; R198-E202 PolarHBondContact O-N 3.32Å; E202-F267 HydrophobicContact CB-CZ 4.4Å; E202-F267 HydrophobicContact CG-CE1 4.06Å; E202-F267 HydrophobicContact CG-CZ 3.64Å; E202-S286 PolarHBondContact OE1-OG 3.32Å
203A98.5Very high97.8Very high41 Ų4145.8 Ų45.834%0.33924%0.244SC..Hα-helixtrans-63.9-50.5176.200000111.7G199 Q205 M206 E207G199-A203 WeakPolarHBondContact O-CB 3.37Å; G199-A203 PolarHBondContact O-N 3.29Å; G199-A203 VanDerWaalsContact O-N 3.14Å; A203-Q205 VanDerWaalsContact C-N 3.31Å; A203-Q205 PolarHBondContact O-N 3.16Å; A203-M206 WeakPolarHBondContact O-CB 3.32Å; A203-M206 PolarHBondContact O-N 2.72Å; A203-M206 VanDerWaalsContact O-N 3.11Å; A203-E207 PolarHBondContact O-N 3.11Å
204L98.6Very high97.8Very high15 Ų1547.2 Ų47.28%0.07925%0.249CC..Hα-helixtrans-61.4-39.9-178.1-176.865.1000111.7T157 I172 F174 L200 M206 E207 V208 V215T157-L204 HydrophobicContact CG2-CD2 3.64Å; I172-L204 HydrophobicContact CD1-CD2 4.2Å; F174-L204 HydrophobicContact CE2-CD2 4.02Å; F174-L204 HydrophobicContact CZ-CD2 3.96Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 PolarHBondContact O-N 2.83Å; L204-M206 PolarHBondContact O-N 3.31Å; L204-E207 WeakPolarHBondContact O-CB 3.4Å; L204-E207 PolarHBondContact O-N 3.38Å; L204-V208 HydrophobicContact CD1-CG1 3.55Å; L204-V208 HydrophobicContact CG-CG1 3.93Å; L204-V208 WeakPolarHBondContact O-CG1 3.5Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 2.45Å; L204-V215 HydrophobicContact CB-CG2 4.49Å; L204-V215 HydrophobicContact CD2-CG2 4.11Å; L204-V215 HydrophobicContact CG-CG2 4.16Å
205Q97.8Very high97.8Very high8 Ų846.7 Ų46.74%0.03725%0.247CC..Hα-helixtrans-54.7-39.8177.317962.163.800111.5A201 A203 V208 K209 V215 F267 P287A201-Q205 VanDerWaalsContact O-CB 3.28Å; A201-Q205 WeakPolarHBondContact O-CB 3.43Å; A201-Q205 PolarHBondContact O-N 3.31Å; A203-Q205 VanDerWaalsContact C-N 3.31Å; A203-Q205 PolarHBondContact O-N 3.16Å; Q205-V208 PolarHBondContact O-N 2.93Å; Q205-K209 WeakPolarHBondContact O-CB 3.31Å; Q205-K209 PolarHBondContact O-N 3.1Å; Q205-V215 HydrophobicContact CB-CB 4.29Å; Q205-V215 HydrophobicContact CB-CG2 4.29Å; Q205-V215 PolarHBondContact OE1-O 3.05Å; Q205-F267 HydrophobicContact CB-CD2 4.24Å; Q205-F267 HydrophobicContact CB-CE2 3.9Å; Q205-F267 HydrophobicContact CG-CD2 4.05Å; Q205-F267 HydrophobicContact CG-CE2 4.22Å; Q205-P287 HydrophobicContact CB-CG 4.32Å; Q205-P287 HydrophobicContact CG-CB 4.25Å; Q205-P287 HydrophobicContact CG-CG 3.85Å
206M96.7Very high97.8Very high143 Ų14342.9 Ų42.970%0.70423%0.23SC*.Hα-helixtrans-65.6-39.5177.4-65-173.1-7500112.1A203 L204 P210A203-M206 WeakPolarHBondContact O-CB 3.32Å; A203-M206 PolarHBondContact O-N 2.72Å; A203-M206 VanDerWaalsContact O-N 3.11Å; L204-M206 PolarHBondContact O-N 3.31Å; M206-P210 WeakPolarHBondContact O-CD 3.18Å
207E98.3Very high97.8Very high114 Ų11441.4 Ų41.453%0.53322%0.218SC..Hα-helixtrans-69.6-31.7179.4-64.9-176.6-143.200113.5A203 L204 Y211A203-E207 PolarHBondContact O-N 3.11Å; L204-E207 WeakPolarHBondContact O-CB 3.4Å; L204-E207 PolarHBondContact O-N 3.38Å; E207-Y211 WeakPolarHBondContact O-CD2 3.48Å; E207-Y211 WeakPolarHBondContact O-CE2 3.41Å
208V98.1Very high97.8Very high0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-106-20.6-167.4-500000113.3I161 L204 Q205 P210 Y211 I213 V215I161-V208 HydrophobicContact CD1-CB 4.34Å; I161-V208 HydrophobicContact CD1-CG1 3.47Å; I161-V208 VanDerWaalsContact CD1-CG1 3.47Å; I161-V208 HydrophobicContact CG1-CG1 4.16Å; L204-V208 HydrophobicContact CD1-CG1 3.55Å; L204-V208 HydrophobicContact CG-CG1 3.93Å; L204-V208 WeakPolarHBondContact O-CG1 3.5Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 2.45Å; Q205-V208 PolarHBondContact O-N 2.93Å; V208-P210 VanDerWaalsContact C-CD 3.47Å; V208-Y211 WeakPolarHBondContact O-CA 3.3Å; V208-Y211 WeakPolarHBondContact O-CB 3.29Å; V208-Y211 PolarHBondContact O-N 2.78Å; V208-I213 HydrophobicContact CB-CB 3.83Å; V208-I213 HydrophobicContact CB-CD1 4.18Å; V208-I213 HydrophobicContact CB-CG2 4.01Å; V208-I213 HydrophobicContact CG2-CB 3.86Å; V208-I213 HydrophobicContact CG2-CG2 3.76Å; V208-I213 PolarHBondContact O-N 3.48Å; V208-V215 HydrophobicContact CG2-CG2 3.98Å
209K95.4Very high97.9Very high109 Ų10939.6 Ų39.647%0.47421%0.211SC..G310 helixtrans-54.4-42.5178.1-165.2171.4-178.4175.40113.9Q205 Y211 N212Q205-K209 WeakPolarHBondContact O-CB 3.31Å; Q205-K209 PolarHBondContact O-N 3.1Å; K209-Y211 PolarHBondContact O-N 3.05Å; K209-N212 PolarHBondContact O-N 2.92Å
210P95.8Very high97.8Very high90 Ų9037.9 Ų37.958%0.58419%0.192SC*.G310 helixtrans-62-16.6177.4-23.835.8000114.2R168 M206 V208R168-P210 PolarHBondContact NH1-O 3.22Å; M206-P210 WeakPolarHBondContact O-CD 3.18Å; V208-P210 VanDerWaalsContact C-CD 3.47Å
211Y97.2Very high97.6Very high86 Ų8636.7 Ų36.734%0.33719%0.186SC..G310 helixtrans-98.814.2176.8-55.6-89.4000112.3K165 R168 E207 V208 K209 I213K165-Y211 HydrophobicContact CB-CD1 3.92Å; K165-Y211 HydrophobicContact CB-CE1 4.34Å; K165-Y211 HydrophobicContact CB-CG 4.12Å; K165-Y211 HydrophobicContact CD-CD1 4.49Å; K165-Y211 HydrophobicContact CD-CD2 4.05Å; K165-Y211 HydrophobicContact CD-CE1 4.45Å; K165-Y211 HydrophobicContact CD-CE2 4Å; K165-Y211 HydrophobicContact CD-CG 4.3Å; K165-Y211 HydrophobicContact CG-CD1 4.04Å; K165-Y211 HydrophobicContact CG-CD2 3.94Å; K165-Y211 HydrophobicContact CG-CE1 4.46Å; K165-Y211 HydrophobicContact CG-CE2 4.37Å; K165-Y211 HydrophobicContact CG-CG 3.76Å; R168-Y211 CarbonylContact C-O 3.53Å; R168-Y211 WeakPolarHBondContact CA-O 3.49Å; R168-Y211 WeakPolarHBondContact CB-O 3.26Å; E207-Y211 WeakPolarHBondContact O-CD2 3.48Å; E207-Y211 WeakPolarHBondContact O-CE2 3.41Å; V208-Y211 WeakPolarHBondContact O-CA 3.3Å; V208-Y211 WeakPolarHBondContact O-CB 3.29Å; V208-Y211 PolarHBondContact O-N 2.78Å; K209-Y211 PolarHBondContact O-N 3.05Å; Y211-I213 PolarHBondContact O-N 3Å
212N96Very high97.5Very high63 Ų6338.5 Ų38.534%0.33720%0.196SC..THydrogen-bonded Turntrans57.336-179.4-179.560.9000112.7R168 K209 Y214R168-N212 WeakPolarHBondContact O-CB 3.4Å; R168-N212 PolarHBondContact O-ND2 3Å; K209-N212 PolarHBondContact O-N 2.92Å; N212-Y214 WeakPolarHBondContact OD1-CE2 3.41Å
213I98.1Very high97.4Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-108.5139.5170.9-56.8162.8000107.5I161 M164 K165 G170 I172 V208 Y211I161-I213 HydrophobicContact CD1-CD1 4.27Å; M164-I213 HydrophobicContact CB-CD1 3.59Å; M164-I213 HydrophobicContact CB-CG1 4.12Å; M164-I213 HydrophobicContact SD-CG2 4.37Å; K165-I213 HydrophobicContact CB-CD1 4.42Å; K165-I213 HydrophobicContact CG-CD1 3.73Å; G170-I213 WeakPolarHBondContact O-CA 3.4Å; I172-I213 HydrophobicContact CD1-CG2 4.19Å; V208-I213 HydrophobicContact CB-CB 3.83Å; V208-I213 HydrophobicContact CB-CD1 4.18Å; V208-I213 HydrophobicContact CB-CG2 4.01Å; V208-I213 HydrophobicContact CG2-CB 3.86Å; V208-I213 HydrophobicContact CG2-CG2 3.76Å; V208-I213 PolarHBondContact O-N 3.48Å; Y211-I213 PolarHBondContact O-N 3Å
214Y98.1Very high97.3Very high30 Ų3038.8 Ų38.812%0.11819%0.193CC..EExtended strand (participates in β ladder)trans-126.3137.7-177.3-64.4-97.3000110.4P29 G170 R171 I172 N212P29-Y214 HydrophobicContact CB-CD1 3.96Å; P29-Y214 HydrophobicContact CB-CD2 4.11Å; P29-Y214 HydrophobicContact CB-CE1 3.6Å; P29-Y214 HydrophobicContact CB-CE2 3.77Å; P29-Y214 HydrophobicContact CB-CG 4.2Å; P29-Y214 HydrophobicContact CG-CD1 4.07Å; P29-Y214 HydrophobicContact CG-CE1 3.86Å; G170-Y214 PolarHBondContact O-N 2.85Å; R171-Y214 WeakPolarHBondContact CA-O 3.28Å; I172-Y214 PolarHBondContact N-O 3.4Å; N212-Y214 WeakPolarHBondContact OD1-CE2 3.41Å
215V98.7Very high97.2Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-103.1135.5177.9-178.50000108.3I172 F174 A201 L204 Q205 V208 F267I172-V215 CarbonylContact O-C 3.43Å; I172-V215 VanDerWaalsContact O-CA 3.23Å; I172-V215 WeakPolarHBondContact O-CA 3.49Å; F174-V215 HydrophobicContact CD2-CG1 3.71Å; F174-V215 HydrophobicContact CE2-CG1 3.69Å; A201-V215 HydrophobicContact CB-CG1 3.83Å; L204-V215 HydrophobicContact CB-CG2 4.49Å; L204-V215 HydrophobicContact CD2-CG2 4.11Å; L204-V215 HydrophobicContact CG-CG2 4.16Å; Q205-V215 HydrophobicContact CB-CB 4.29Å; Q205-V215 HydrophobicContact CB-CG2 4.29Å; Q205-V215 PolarHBondContact OE1-O 3.05Å; V208-V215 HydrophobicContact CG2-CG2 3.98Å; V215-F267 HydrophobicContact CB-CE2 4.41Å; V215-F267 HydrophobicContact CG1-CE2 4.39Å; V215-F267 WeakPolarHBondContact O-CA 3.14Å; V215-F267 WeakPolarHBondContact O-CD2 3.29Å
216T98.8Very high97.1Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-120126.3172.2-60.20000109.1I172 M173 F174 A262 N266 F267I172-T216 PolarHBondContact O-N 3.44Å; M173-T216 CarbonylContact C-O 3.58Å; M173-T216 VanDerWaalsContact CA-O 3.23Å; M173-T216 WeakPolarHBondContact CA-O 3.43Å; M173-T216 HydrophobicContact CG-CG2 4.43Å; F174-T216 PolarHBondContact N-O 3.47Å; T216-A262 HydrophobicContact CG2-CB 4.1Å; T216-A262 VanDerWaalsContact OG1-CA 3.29Å; T216-A262 WeakPolarHBondContact OG1-CA 3.32Å; T216-N266 VanDerWaalsContact CB-O 3.3Å; T216-N266 WeakPolarHBondContact CB-O 3.49Å; T216-N266 WeakPolarHBondContact CG2-O 3.45Å; T216-N266 PolarHBondContact OG1-O 3.47Å; T216-F267 CarbonylContact C-O 3.22Å; T216-F267 WeakPolarHBondContact CA-O 3.27Å
217L98.5Very high97Very high0 Ų039.2 Ų39.20%020%0.204CC..EExtended strand (participates in β ladder)trans-101.5110.2171.4-170.860.4000108.3F174 L197 R198 A201 F219 F267 S269F174-L217 HydrophobicContact CB-CD1 3.87Å; L197-L217 HydrophobicContact CB-CD1 4.3Å; R198-L217 HydrophobicContact CB-CD2 3.79Å; R198-L217 HydrophobicContact CG-CD2 3.83Å; A201-L217 HydrophobicContact CB-CB 4.37Å; A201-L217 HydrophobicContact CB-CD1 4.27Å; A201-L217 HydrophobicContact CB-CD2 4.3Å; L217-F219 HydrophobicContact CB-CE2 4.38Å; L217-F219 HydrophobicContact CB-CZ 4.22Å; L217-F219 HydrophobicContact CD1-CE1 4.49Å; L217-F219 HydrophobicContact CD2-CE1 3.72Å; L217-F219 HydrophobicContact CD2-CE2 4.18Å; L217-F219 HydrophobicContact CD2-CZ 3.29Å; L217-F219 HydrophobicContact CG-CD1 4.49Å; L217-F219 HydrophobicContact CG-CE1 3.68Å; L217-F219 HydrophobicContact CG-CE2 4.03Å; L217-F219 HydrophobicContact CG-CZ 3.44Å; L217-F219 VanDerWaalsContact CG-CZ 3.44Å; L217-F267 PolarHBondContact N-O 3.22Å; L217-S269 PolarHBondContact O-N 3.15Å
218A98.6Very high96.8Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-97.9133.5-176.500000110.6M173 F174 S176 P220 F258 S269M173-A218 HydrophobicContact CG-CB 4.16Å; M173-A218 HydrophobicContact SD-CB 4.12Å; F174-A218 PolarHBondContact O-N 3.28Å; S176-A218 WeakPolarHBondContact CA-O 3.41Å; S176-A218 PolarHBondContact N-O 2.88Å; A218-P220 VanDerWaalsContact O-CD 3.28Å; A218-P220 WeakPolarHBondContact O-CD 3.43Å; A218-F258 HydrophobicContact CB-CD1 3.99Å; A218-F258 HydrophobicContact CB-CD2 3.73Å; A218-F258 HydrophobicContact CB-CE1 3.92Å; A218-F258 HydrophobicContact CB-CE2 3.68Å; A218-F258 HydrophobicContact CB-CG 3.89Å; A218-F258 HydrophobicContact CB-CZ 3.78Å; A218-S269 CarbonylContact C-O 3.59Å; A218-S269 WeakPolarHBondContact CA-O 3.46Å
219F98.1Very high96.6Very high2 Ų237.4 Ų37.41%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-119.581-174.5-57.4-71.4000111.1S177 Q181 L217 N268 S269S177-F219 VanDerWaalsContact O-CD1 3.32Å; S177-F219 WeakPolarHBondContact O-CD1 3.29Å; Q181-F219 VanDerWaalsContact CD-CG 3.49Å; Q181-F219 HydrophobicContact CG-CD1 3.47Å; Q181-F219 VanDerWaalsContact CG-CD1 3.47Å; Q181-F219 HydrophobicContact CG-CD2 4.39Å; Q181-F219 HydrophobicContact CG-CE1 3.37Å; Q181-F219 HydrophobicContact CG-CE2 4.32Å; Q181-F219 HydrophobicContact CG-CG 3.96Å; Q181-F219 HydrophobicContact CG-CZ 3.79Å; L217-F219 HydrophobicContact CB-CE2 4.38Å; L217-F219 HydrophobicContact CB-CZ 4.22Å; L217-F219 HydrophobicContact CD1-CE1 4.49Å; L217-F219 HydrophobicContact CD2-CE1 3.72Å; L217-F219 HydrophobicContact CD2-CE2 4.18Å; L217-F219 HydrophobicContact CD2-CZ 3.29Å; L217-F219 HydrophobicContact CG-CD1 4.49Å; L217-F219 HydrophobicContact CG-CE1 3.68Å; L217-F219 HydrophobicContact CG-CE2 4.03Å; L217-F219 HydrophobicContact CG-CZ 3.44Å; L217-F219 VanDerWaalsContact CG-CZ 3.44Å; F219-N268 HydrophobicContact CE2-CB 4.44Å; F219-N268 WeakPolarHBondContact CE2-OD1 3.47Å; F219-S269 PolarHBondContact N-O 2.71Å
220P97.3Very high96.6Very high8 Ų837.3 Ų37.35%0.05221%0.208CC..  trans-67.3141.6178.925.6-34000111.4I48 V175 Q178 A218 V254 F258I48-P220 HydrophobicContact CD1-CB 3.75Å; I48-P220 HydrophobicContact CD1-CG 4.06Å; V175-P220 HydrophobicContact CG1-CG 3.93Å; Q178-P220 PolarHBondContact N-O 3.19Å; Q178-P220 VanDerWaalsContact N-O 3.1Å; A218-P220 VanDerWaalsContact O-CD 3.28Å; A218-P220 WeakPolarHBondContact O-CD 3.43Å; P220-V254 HydrophobicContact CB-CG1 4.25Å; P220-F258 HydrophobicContact CB-CE2 3.98Å; P220-F258 HydrophobicContact CB-CZ 3.85Å; P220-F258 HydrophobicContact CG-CE2 4.25Å; P220-F258 HydrophobicContact CG-CZ 4.32Å
221P95.1Very high96.4Very high11 Ų1133.7 Ų33.77%0.07118%0.183CC..  trans-72.7-177160.532.4-33.3000110.4T223 W249 V271P221-T223 PolarHBondContact O-N 2.92Å; P221-T223 VanDerWaalsContact O-N 3.12Å; P221-T223 PolarHBondContact O-OG1 3.03Å; P221-W249 HydrophobicContact CG-CB 4.14Å; P221-W249 HydrophobicContact CG-CD2 4.47Å; P221-W249 HydrophobicContact CG-CG 3.71Å; P221-V271 HydrophobicContact CG-CB 4.19Å; P221-V271 HydrophobicContact CG-CG1 4.38Å
222D94.8Very high96.2Very high39 Ų3932.6 Ų32.621%0.20918%0.183CC..SBendtrans-50.6122.2164.9-81.7-0.9000109.4L228 S243 V248 W249D222-L228 HydrophobicContact CB-CD1 4.49Å; D222-L228 HydrophobicContact CB-CD2 4.06Å; D222-S243 VanDerWaalsContact OD2-CB 3.29Å; D222-S243 WeakPolarHBondContact OD2-CB 3.38Å; D222-S243 PolarHBondContact OD2-OG 3.24Å; D222-V248 HydrophobicContact CB-CG2 4.42Å; D222-V248 WeakPolarHBondContact O-CA 3.42Å; D222-W249 PolarHBondContact O-N 2.97Å
223T96.1Very high96Very high6 Ų636.5 Ų36.54%0.03720%0.197CC..BIsolated β-bridgetrans-127.2133.3-173.8-54.20000109.2I48 P221 T225 L228 W249 P251 V254I48-T223 HydrophobicContact CD1-CG2 4.14Å; I48-T223 HydrophobicContact CG1-CG2 3.86Å; P221-T223 PolarHBondContact O-N 2.92Å; P221-T223 VanDerWaalsContact O-N 3.12Å; P221-T223 PolarHBondContact O-OG1 3.03Å; T223-T225 HydrophobicContact CG2-CG2 3.99Å; T223-T225 PolarHBondContact O-N 3.34Å; T223-T225 PolarHBondContact O-OG1 2.85Å; T223-T225 VanDerWaalsContact O-OG1 3.06Å; T223-L228 WeakPolarHBondContact O-CB 3.12Å; T223-L228 WeakPolarHBondContact O-CD2 2.76Å; T223-W249 CarbonylContact C-O 3.46Å; T223-W249 WeakPolarHBondContact CA-O 3.38Å; T223-W249 WeakPolarHBondContact CG2-O 3.3Å; T223-P251 HydrophobicContact CG2-CB 4.2Å; T223-P251 HydrophobicContact CG2-CG 3.84Å; T223-V254 HydrophobicContact CG2-CG2 4.04Å
224D96.8Very high95.4Very high90 Ų9040.2 Ų40.248%0.48122%0.223SC..SBendtrans-62.992-177.2-172.67.2000111.1V248 W249 Q250 P251D224-V248 HydrophobicContact CB-CG1 3.88Å; D224-W249 PolarHBondContact N-O 3.03Å; D224-Q250 PolarHBondContact OD2-NE2 2.93Å; D224-P251 WeakPolarHBondContact O-CD 3.37Å; D224-P251 WeakPolarHBondContact O-CG 3.31Å
225T96.4Very high95.2Very high18 Ų1839 Ų3911%0.1122%0.218CC..SBendtrans-142.9157.4-172.1600000110.4I48 T223 L227 L228 A229 P251I48-T225 HydrophobicContact CG1-CG2 4.32Å; T223-T225 HydrophobicContact CG2-CG2 3.99Å; T223-T225 PolarHBondContact O-N 3.34Å; T223-T225 PolarHBondContact O-OG1 2.85Å; T223-T225 VanDerWaalsContact O-OG1 3.06Å; T225-L227 PolarHBondContact O-N 3.41Å; T225-L228 PolarHBondContact O-N 3.22Å; T225-L228 PolarHBondContact OG1-N 3.11Å; T225-A229 PolarHBondContact O-N 3.01Å; T225-A229 VanDerWaalsContact O-N 3.09Å; T225-P251 HydrophobicContact CG2-CG 4Å
226P95.9Very high95Very high88 Ų8839.9 Ų39.957%0.57122%0.223SC*.Hα-helixtrans-56.1-31.4172.1-26.535.5000113.4A229 E230P226-A229 PolarHBondContact O-N 3.29Å; P226-E230 PolarHBondContact O-N 3.24Å
227L94.8Very high94.8Very high69 Ų6944.1 Ų44.136%0.36125%0.246SC..Hα-helixtrans-65.6-48.2177.5179.863.4000111.6T225 A229 E230 E231T225-L227 PolarHBondContact O-N 3.41Å; L227-A229 VanDerWaalsContact C-N 3.29Å; L227-A229 PolarHBondContact O-N 3.03Å; L227-E230 PolarHBondContact O-N 3.01Å; L227-E231 WeakPolarHBondContact O-CB 3.2Å; L227-E231 PolarHBondContact O-N 3.49Å
228L94.6Very high94.7Very high16 Ų1644.1 Ų44.18%0.08425%0.246CC..Hα-helixtrans-62.1-40177.2179.962.3000111.3D222 T223 T225 E230 E231 N232 V248D222-L228 HydrophobicContact CB-CD1 4.49Å; D222-L228 HydrophobicContact CB-CD2 4.06Å; T223-L228 WeakPolarHBondContact O-CB 3.12Å; T223-L228 WeakPolarHBondContact O-CD2 2.76Å; T225-L228 PolarHBondContact O-N 3.22Å; T225-L228 PolarHBondContact OG1-N 3.11Å; L228-E230 VanDerWaalsContact C-N 3.34Å; L228-E230 PolarHBondContact O-N 2.92Å; L228-E231 PolarHBondContact O-N 3.31Å; L228-N232 WeakPolarHBondContact O-CB 3.32Å; L228-N232 PolarHBondContact O-N 3.34Å; L228-N232 PolarHBondContact O-ND2 3.06Å; L228-V248 HydrophobicContact CD2-CG1 4.14Å; L228-V248 HydrophobicContact CD2-CG2 4.49Å
229A94.6Very high94.5Very high60 Ų6044.2 Ų44.250%0.49625%0.246SC..Hα-helixtrans-62-40.5176.400000112.3T225 P226 L227T225-A229 PolarHBondContact O-N 3.01Å; T225-A229 VanDerWaalsContact O-N 3.09Å; P226-A229 PolarHBondContact O-N 3.29Å; L227-A229 VanDerWaalsContact C-N 3.29Å; L227-A229 PolarHBondContact O-N 3.03Å
230E93.7Very high94.3Very high108 Ų10847.3 Ų47.351%0.50526%0.26SS..Hα-helixtrans-65.8-48.6175-170.160.6-140.300111.5P226 L227 L228 N232 K233P226-E230 PolarHBondContact O-N 3.24Å; L227-E230 PolarHBondContact O-N 3.01Å; L228-E230 VanDerWaalsContact C-N 3.34Å; L228-E230 PolarHBondContact O-N 2.92Å; E230-N232 VanDerWaalsContact C-N 3.29Å; E230-N232 PolarHBondContact O-N 2.85Å; E230-K233 VanDerWaalsContact O-CB 3.29Å; E230-K233 WeakPolarHBondContact O-CB 3.21Å; E230-K233 WeakPolarHBondContact O-CG 3.19Å; E230-K233 PolarHBondContact O-N 2.87Å; E230-K233 VanDerWaalsContact O-N 3.13Å; E230-K233 WeakPolarHBondContact OE1-CD 3.5Å; E230-K233 IonicContact OE1-NZ 3.96Å; E230-K233 PolarHBondContact OE1-NZ 3.48Å; E230-K233 VanDerWaalsContact OE1-NZ 3.08Å; E230-K233 WeakPolarHBondContact OE2-CE 3.47Å; E230-K233 IonicContact OE2-NZ 2.82Å; E230-K233 PolarHBondContact OE2-NZ 2.87Å
231E92.1Very high94.2Very high14 Ų1449.8 Ų49.87%0.06527%0.272CS..Hα-helixtrans-59.8-38.9-178.5-167.2-162.2125.200112.3S129 Y187 L227 L228 K233 S234 K235S129-E231 WeakPolarHBondContact CB-OE2 3.32Å; S129-E231 PolarHBondContact OG-OE2 3.08Å; Y187-E231 WeakPolarHBondContact CE1-OE1 3.48Å; Y187-E231 PolarHBondContact OH-OE1 2.96Å; L227-E231 WeakPolarHBondContact O-CB 3.2Å; L227-E231 PolarHBondContact O-N 3.49Å; L228-E231 PolarHBondContact O-N 3.31Å; E231-K233 PolarHBondContact O-N 3.41Å; E231-K233 VanDerWaalsContact O-N 3.1Å; E231-S234 PolarHBondContact O-N 3.27Å; E231-K235 WeakPolarHBondContact O-CB 3.49Å; E231-K235 PolarHBondContact O-N 3.48Å; E231-K235 VanDerWaalsContact O-N 3.08Å; E231-K235 WeakPolarHBondContact OE1-CE 3.13Å; E231-K235 IonicContact OE1-NZ 3.88Å; E231-K235 PolarHBondContact OE1-NZ 3.3Å; E231-K235 VanDerWaalsContact OE1-NZ 3.11Å
232N93.1Very high94.1Very high62 Ų6249.6 Ų49.633%0.33227%0.271SS..THydrogen-bonded Turntrans-63.1-17.6-179.8-78.3-20.6000114.1L228 E230 K235 K240L228-N232 WeakPolarHBondContact O-CB 3.32Å; L228-N232 PolarHBondContact O-N 3.34Å; L228-N232 PolarHBondContact O-ND2 3.06Å; E230-N232 VanDerWaalsContact C-N 3.29Å; E230-N232 PolarHBondContact O-N 2.85Å; N232-K235 VanDerWaalsContact OD1-CE 3.29Å; N232-K235 WeakPolarHBondContact OD1-CE 3.28Å; N232-K235 PolarHBondContact OD1-NZ 3.17Å; N232-K240 WeakPolarHBondContact O-CE 3.45Å; N232-K240 PolarHBondContact O-NZ 3.03Å; N232-K240 VanDerWaalsContact O-NZ 3.1Å
233K91.4Very high93.7Very high146 Ų14648.6 Ų48.664%0.63527%0.266SS*.THydrogen-bonded Turntrans-65.8-38.9177.5-64.1176.1-176.7171.20112.5E230 E231E230-K233 VanDerWaalsContact O-CB 3.29Å; E230-K233 WeakPolarHBondContact O-CB 3.21Å; E230-K233 WeakPolarHBondContact O-CG 3.19Å; E230-K233 PolarHBondContact O-N 2.87Å; E230-K233 VanDerWaalsContact O-N 3.13Å; E230-K233 WeakPolarHBondContact OE1-CD 3.5Å; E230-K233 IonicContact OE1-NZ 3.96Å; E230-K233 PolarHBondContact OE1-NZ 3.48Å; E230-K233 VanDerWaalsContact OE1-NZ 3.08Å; E230-K233 WeakPolarHBondContact OE2-CE 3.47Å; E230-K233 IonicContact OE2-NZ 2.82Å; E230-K233 PolarHBondContact OE2-NZ 2.87Å; E231-K233 PolarHBondContact O-N 3.41Å; E231-K233 VanDerWaalsContact O-N 3.1Å
234S86.4Confident93.2Very high77 Ų7754.8 Ų54.854%0.53830%0.295SS..THydrogen-bonded Turntrans-112.8-3.8-177.365.80000113.8E231E231-S234 PolarHBondContact O-N 3.27Å
235K93.2Very high92.2Very high6 Ų653.5 Ų53.53%0.02629%0.291CS..  trans-58.2126.2-177.9-177.4-176.5-74.2178.50112Y187 E231 N232 T239 K240Y187-K235 VanDerWaalsContact OH-CE 3.31Å; Y187-K235 WeakPolarHBondContact OH-CE 3.25Å; Y187-K235 PolarHBondContact OH-NZ 3.47Å; E231-K235 WeakPolarHBondContact O-CB 3.49Å; E231-K235 PolarHBondContact O-N 3.48Å; E231-K235 VanDerWaalsContact O-N 3.08Å; E231-K235 WeakPolarHBondContact OE1-CE 3.13Å; E231-K235 IonicContact OE1-NZ 3.88Å; E231-K235 PolarHBondContact OE1-NZ 3.3Å; E231-K235 VanDerWaalsContact OE1-NZ 3.11Å; N232-K235 VanDerWaalsContact OD1-CE 3.29Å; N232-K235 WeakPolarHBondContact OD1-CE 3.28Å; N232-K235 PolarHBondContact OD1-NZ 3.17Å; K235-T239 HydrophobicContact CD-CG2 3.94Å; K235-T239 HydrophobicContact CG-CG2 3.78Å; K235-K240 HydrophobicContact CB-CG 4.24Å; K235-K240 HydrophobicContact CD-CB 4.44Å; K235-K240 HydrophobicContact CD-CG 3.56Å; K235-K240 HydrophobicContact CG-CG 3.78Å; K235-K240 WeakPolarHBondContact O-CE 3.16Å; K235-K240 PolarHBondContact O-NZ 3.47Å
236P95Very high91.1Very high17 Ų1754.2 Ų54.211%0.1130%0.296CS..  trans-57.1152.3174.8-25.134.9000112.7S131 F185 E238 T239 K240S131-P236 VanDerWaalsContact OG-CD 3.27Å; S131-P236 WeakPolarHBondContact OG-CD 3.49Å; F185-P236 HydrophobicContact CD1-CB 4.42Å; F185-P236 HydrophobicContact CE1-CB 3.95Å; F185-P236 HydrophobicContact CE1-CG 4.4Å; P236-E238 VanDerWaalsContact C-N 3.29Å; P236-E238 PolarHBondContact O-N 3.29Å; P236-T239 PolarHBondContact O-N 3.31Å; P236-K240 PolarHBondContact O-N 3.37Å
237L94.8Very high90.6Very high89 Ų8951.8 Ų51.847%0.46629%0.287SS..Hα-helixtrans-59.5-40.5-17917961000112T239 K240 L241L237-T239 VanDerWaalsContact C-N 3.33Å; L237-T239 PolarHBondContact O-N 2.88Å; L237-K240 WeakPolarHBondContact O-CB 3.47Å; L237-K240 PolarHBondContact O-N 3.39Å; L237-L241 HydrophobicContact CD1-CD1 4.16Å; L237-L241 HydrophobicContact CD1-CG 4.11Å; L237-L241 HydrophobicContact CG-CD1 4.01Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CG 3.22Å; L237-L241 PolarHBondContact O-N 2.85Å
238E96.2Very high90.5Very high1 Ų152.7 Ų52.71%0.00530%0.295CS..Hα-helixtrans-57.4-48176.5-62.692.2144.100111.5F185 P236 K240 L241 I242 V319 C322 R326F185-E238 HydrophobicContact CB-CB 4.33Å; F185-E238 HydrophobicContact CD1-CB 3.43Å; F185-E238 VanDerWaalsContact CD1-CB 3.43Å; F185-E238 HydrophobicContact CD1-CG 4.05Å; F185-E238 HydrophobicContact CD2-CB 4.39Å; F185-E238 HydrophobicContact CD2-CG 4.49Å; F185-E238 HydrophobicContact CE1-CB 3.72Å; F185-E238 VanDerWaalsContact CE1-CD 3.44Å; F185-E238 HydrophobicContact CE1-CG 3.87Å; F185-E238 HydrophobicContact CE2-CG 4.33Å; F185-E238 HydrophobicContact CG-CB 3.8Å; F185-E238 HydrophobicContact CG-CG 4.35Å; F185-E238 HydrophobicContact CZ-CB 4.32Å; F185-E238 HydrophobicContact CZ-CG 4.02Å; F185-E238 VanDerWaalsContact CZ-OE1 3.25Å; F185-E238 WeakPolarHBondContact CZ-OE1 3.23Å; P236-E238 VanDerWaalsContact C-N 3.29Å; P236-E238 PolarHBondContact O-N 3.29Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 3.02Å; E238-L241 PolarHBondContact O-N 3.39Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 VanDerWaalsContact O-CG1 3.24Å; E238-I242 WeakPolarHBondContact O-CG1 3.41Å; E238-I242 PolarHBondContact O-N 2.94Å; E238-V319 HydrophobicContact CB-CG2 4.36Å; E238-V319 HydrophobicContact CG-CG2 4.34Å; E238-C322 HydrophobicContact CG-CB 3.57Å; E238-R326 IonicContact OE1-CZ 2.97Å; E238-R326 IonicContact OE1-NH1 3.91Å; E238-R326 PolarHBondContact OE1-NH1 3.28Å; E238-R326 IonicContact OE1-NH2 3.85Å; E238-R326 PolarHBondContact OE1-NH2 3.4Å; E238-R326 IonicContact OE2-NH1 3.96Å; E238-R326 PolarHBondContact OE2-NH1 3.25Å
239T95.2Very high90.5Very high1 Ų155.2 Ų55.21%0.00630%0.304CS..Hα-helixtrans-64-40.4-179.7-48.80000110.9F185 Y187 K235 P236 L237 I242 S243F185-T239 WeakPolarHBondContact O-CG2 3.42Å; F185-T239 PolarHBondContact O-OG1 3.37Å; Y187-T239 HydrophobicContact CD2-CG2 4.32Å; Y187-T239 HydrophobicContact CE1-CG2 4.28Å; Y187-T239 HydrophobicContact CE2-CG2 3.77Å; K235-T239 HydrophobicContact CD-CG2 3.94Å; K235-T239 HydrophobicContact CG-CG2 3.78Å; P236-T239 PolarHBondContact O-N 3.31Å; L237-T239 VanDerWaalsContact C-N 3.33Å; L237-T239 PolarHBondContact O-N 2.88Å; T239-I242 PolarHBondContact O-N 3.36Å; T239-S243 WeakPolarHBondContact O-CB 3.16Å; T239-S243 PolarHBondContact O-N 2.94Å
240K93.4Very high90.7Very high68 Ų6856.8 Ų56.830%0.29630%0.301SS..Hα-helixtrans-59-53174.7-72.3174.3177.3170.50111.4N232 K235 P236 L237 E238 I242 S243 E244N232-K240 WeakPolarHBondContact O-CE 3.45Å; N232-K240 PolarHBondContact O-NZ 3.03Å; N232-K240 VanDerWaalsContact O-NZ 3.1Å; K235-K240 HydrophobicContact CB-CG 4.24Å; K235-K240 HydrophobicContact CD-CB 4.44Å; K235-K240 HydrophobicContact CD-CG 3.56Å; K235-K240 HydrophobicContact CG-CG 3.78Å; K235-K240 WeakPolarHBondContact O-CE 3.16Å; K235-K240 PolarHBondContact O-NZ 3.47Å; P236-K240 PolarHBondContact O-N 3.37Å; L237-K240 WeakPolarHBondContact O-CB 3.47Å; L237-K240 PolarHBondContact O-N 3.39Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 3.02Å; K240-I242 VanDerWaalsContact C-N 3.26Å; K240-I242 PolarHBondContact O-N 3.32Å; K240-S243 PolarHBondContact O-N 2.96Å; K240-S243 VanDerWaalsContact O-N 3.16Å; K240-E244 WeakPolarHBondContact O-CB 3.37Å; K240-E244 VanDerWaalsContact O-CG 3.29Å; K240-E244 WeakPolarHBondContact O-CG 3.44Å; K240-E244 PolarHBondContact O-N 3.01Å
241L94.1Very high90.9Very high60 Ų6052.3 Ų52.331%0.31428%0.281SS..Hα-helixtrans-63.7-32.5-178.6-68.4174.7000112.7L237 E238 I318L237-L241 HydrophobicContact CD1-CD1 4.16Å; L237-L241 HydrophobicContact CD1-CG 4.11Å; L237-L241 HydrophobicContact CG-CD1 4.01Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CG 3.22Å; L237-L241 PolarHBondContact O-N 2.85Å; E238-L241 PolarHBondContact O-N 3.39Å; L241-I318 HydrophobicContact CB-CD1 4.39Å; L241-I318 HydrophobicContact CB-CG2 3.65Å; L241-I318 HydrophobicContact CD1-CG2 3.93Å; L241-I318 HydrophobicContact CG-CG2 4.46Å
242I93.3Very high91.2Very high7 Ų755.4 Ų55.44%0.03630%0.298CS..Hα-helixtrans-72.2-42.4174.4-71.5168.1000111.1L184 F185 E238 T239 K240 T245 F315 I318 V319L184-I242 HydrophobicContact CD1-CG2 4.43Å; L184-I242 HydrophobicContact CD2-CG2 3.98Å; F185-I242 HydrophobicContact CB-CD1 4.08Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 VanDerWaalsContact O-CG1 3.24Å; E238-I242 WeakPolarHBondContact O-CG1 3.41Å; E238-I242 PolarHBondContact O-N 2.94Å; T239-I242 PolarHBondContact O-N 3.36Å; K240-I242 VanDerWaalsContact C-N 3.26Å; K240-I242 PolarHBondContact O-N 3.32Å; I242-T245 PolarHBondContact O-OG1 3.45Å; I242-F315 HydrophobicContact CB-CD1 4.42Å; I242-F315 HydrophobicContact CD1-CB 4.25Å; I242-F315 HydrophobicContact CD1-CG 4.46Å; I242-F315 HydrophobicContact CG1-CB 4.39Å; I242-F315 HydrophobicContact CG1-CD1 3.93Å; I242-F315 HydrophobicContact CG1-CG 4.25Å; I242-F315 HydrophobicContact CG2-CD1 3.99Å; I242-F315 HydrophobicContact CG2-CD2 4.49Å; I242-F315 HydrophobicContact CG2-CE1 3.85Å; I242-F315 HydrophobicContact CG2-CE2 4.35Å; I242-F315 HydrophobicContact CG2-CG 4.32Å; I242-F315 HydrophobicContact CG2-CZ 4.04Å; I242-I318 HydrophobicContact CG1-CD1 4.14Å; I242-I318 HydrophobicContact CG1-CG2 4.2Å; I242-V319 HydrophobicContact CD1-CG2 4.23Å
243S87.4Confident91.4Very high17 Ų1757.3 Ų57.312%0.11931%0.305CS..Hα-helixtrans-77.3-27.8-174.985.70000113.4D222 T239 K240 T245 S246D222-S243 VanDerWaalsContact OD2-CB 3.29Å; D222-S243 WeakPolarHBondContact OD2-CB 3.38Å; D222-S243 PolarHBondContact OD2-OG 3.24Å; T239-S243 WeakPolarHBondContact O-CB 3.16Å; T239-S243 PolarHBondContact O-N 2.94Å; K240-S243 PolarHBondContact O-N 2.96Å; K240-S243 VanDerWaalsContact O-N 3.16Å; S243-T245 PolarHBondContact O-N 2.86Å; S243-T245 VanDerWaalsContact O-N 3.12Å; S243-S246 PolarHBondContact O-N 3.31Å
244E85.3Confident91.7Very high136 Ų13650.3 Ų50.364%0.63628%0.275SS*.G310 helixtrans-60-21.5177.3-80.3172.9-176.800114K240 S246 G247K240-E244 WeakPolarHBondContact O-CB 3.37Å; K240-E244 VanDerWaalsContact O-CG 3.29Å; K240-E244 WeakPolarHBondContact O-CG 3.44Å; K240-E244 PolarHBondContact O-N 3.01Å; E244-S246 PolarHBondContact O-N 2.9Å; E244-G247 PolarHBondContact O-N 3.5Å
245T74.6Confident92.3Very high64 Ų6446.7 Ų46.739%0.39325%0.249SC..G310 helixtrans-64.6-23.4-178.4610000113.8I242 S243I242-T245 PolarHBondContact O-OG1 3.45Å; S243-T245 PolarHBondContact O-N 2.86Å; S243-T245 VanDerWaalsContact O-N 3.12Å
246S74.9Confident92.5Very high33 Ų3352.9 Ų52.923%0.23128%0.276CS..G310 helixtrans-103.5-4.7-171.1-48.30000113.7S243 E244S243-S246 PolarHBondContact O-N 3.31Å; E244-S246 PolarHBondContact O-N 2.9Å
247G84.9Confident92.7Very high36 Ų3653.7 Ų53.737%0.37128%0.279SS..  trans67.4172.3-176.300000114.6E244E244-G247 PolarHBondContact O-N 3.5Å
248V92.1Very high92.9Very high89 Ų8949.4 Ų49.454%0.53926%0.257SS..  trans-107129.2178.4-176.80000110.2D222 D224 L228D222-V248 HydrophobicContact CB-CG2 4.42Å; D222-V248 WeakPolarHBondContact O-CA 3.42Å; D224-V248 HydrophobicContact CB-CG1 3.88Å; L228-V248 HydrophobicContact CD2-CG1 4.14Å; L228-V248 HydrophobicContact CD2-CG2 4.49Å
249W95.8Very high93Very high68 Ų6849.4 Ų49.426%0.25826%0.257SS..BIsolated β-bridgetrans-98.9152.9-179.4-72.672.3000112.5P221 D222 T223 D224 Q253 V254 V271P221-W249 HydrophobicContact CG-CB 4.14Å; P221-W249 HydrophobicContact CG-CD2 4.47Å; P221-W249 HydrophobicContact CG-CG 3.71Å; D222-W249 PolarHBondContact O-N 2.97Å; T223-W249 CarbonylContact C-O 3.46Å; T223-W249 WeakPolarHBondContact CA-O 3.38Å; T223-W249 WeakPolarHBondContact CG2-O 3.3Å; D224-W249 PolarHBondContact N-O 3.03Å; W249-Q253 HydrophobicContact CE3-CB 4.28Å; W249-V254 HydrophobicContact CB-CG2 3.86Å; W249-V271 HydrophobicContact CD2-CG1 3.49Å; W249-V271 VanDerWaalsContact CD2-CG1 3.49Å; W249-V271 HydrophobicContact CE3-CG1 3.38Å; W249-V271 HydrophobicContact CG-CG1 4.19Å; W249-V271 HydrophobicContact CH2-CG1 3.82Å; W249-V271 HydrophobicContact CZ2-CG1 3.94Å; W249-V271 HydrophobicContact CZ3-CG1 3.54Å
250Q97.8Very high93.2Very high94 Ų9455.4 Ų55.444%0.43928%0.279SS..  trans-81.2136.8173.9-69.2-63.4-45.900110.9D224 D252 Q253 V254D224-Q250 PolarHBondContact OD2-NE2 2.93Å; Q250-D252 PolarHBondContact O-N 3.31Å; Q250-D252 VanDerWaalsContact O-N 3.15Å; Q250-Q253 HydrophobicContact CB-CG 4.23Å; Q250-Q253 WeakPolarHBondContact O-CB 3.29Å; Q250-Q253 PolarHBondContact O-N 3.44Å; Q250-V254 PolarHBondContact O-N 3.33Å
251P97.7Very high93.4Very high13 Ų1352.5 Ų52.58%0.08427%0.267CS..Hα-helixtrans-52-38.3-178.9-29.133.3000114.7S51 T223 D224 T225 Q253 V254 A255S51-P251 WeakPolarHBondContact OG-CB 3.32Å; T223-P251 HydrophobicContact CG2-CB 4.2Å; T223-P251 HydrophobicContact CG2-CG 3.84Å; D224-P251 WeakPolarHBondContact O-CD 3.37Å; D224-P251 WeakPolarHBondContact O-CG 3.31Å; T225-P251 HydrophobicContact CG2-CG 4Å; P251-Q253 VanDerWaalsContact C-N 3.35Å; P251-Q253 PolarHBondContact O-N 2.97Å; P251-V254 PolarHBondContact O-N 3.42Å; P251-A255 VanDerWaalsContact O-CB 3.28Å; P251-A255 WeakPolarHBondContact O-CB 3.47Å; P251-A255 PolarHBondContact O-N 2.66Å
252D97.8Very high93.6Very high80 Ų8049.7 Ų49.743%0.42825%0.252SS..Hα-helixtrans-66.4-35.5179.8-76.81.3000112.5S51 Q250 K256S51-D252 WeakPolarHBondContact CB-OD1 3.41Å; Q250-D252 PolarHBondContact O-N 3.31Å; Q250-D252 VanDerWaalsContact O-N 3.15Å; D252-K256 WeakPolarHBondContact O-CB 3.36Å; D252-K256 PolarHBondContact O-N 2.9Å; D252-K256 VanDerWaalsContact O-N 3.08Å
253Q97.7Very high93.8Very high101 Ų10150.1 Ų50.147%0.47226%0.255SS..Hα-helixtrans-68.7-43.5176.8-64.7175.7-49.800110.7W249 Q250 P251 K256 I257W249-Q253 HydrophobicContact CE3-CB 4.28Å; Q250-Q253 HydrophobicContact CB-CG 4.23Å; Q250-Q253 WeakPolarHBondContact O-CB 3.29Å; Q250-Q253 PolarHBondContact O-N 3.44Å; P251-Q253 VanDerWaalsContact C-N 3.35Å; P251-Q253 PolarHBondContact O-N 2.97Å; Q253-K256 PolarHBondContact O-N 3.47Å; Q253-I257 PolarHBondContact O-N 3.26Å
254V98.3Very high94.3Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-61.5-49175.9175.70000110.2I48 P220 T223 W249 Q250 P251 K256 I257 F258 V271I48-V254 HydrophobicContact CD1-CG1 4.4Å; I48-V254 HydrophobicContact CG1-CG1 4.49Å; I48-V254 HydrophobicContact CG2-CG1 4.29Å; P220-V254 HydrophobicContact CB-CG1 4.25Å; T223-V254 HydrophobicContact CG2-CG2 4.04Å; W249-V254 HydrophobicContact CB-CG2 3.86Å; Q250-V254 PolarHBondContact O-N 3.33Å; P251-V254 PolarHBondContact O-N 3.42Å; V254-K256 PolarHBondContact O-N 3.05Å; V254-I257 PolarHBondContact O-N 3.19Å; V254-F258 HydrophobicContact CG1-CD1 4.45Å; V254-F258 HydrophobicContact CG1-CD2 3.68Å; V254-F258 HydrophobicContact CG1-CE1 4.13Å; V254-F258 HydrophobicContact CG1-CE2 3.25Å; V254-F258 HydrophobicContact CG1-CG 4.27Å; V254-F258 HydrophobicContact CG1-CZ 3.51Å; V254-F258 WeakPolarHBondContact O-CG 3.49Å; V254-F258 PolarHBondContact O-N 2.9Å; V254-V271 HydrophobicContact CG1-CG2 4.22Å; V254-V271 HydrophobicContact CG2-CG2 4.3Å
255A98.6Very high94.8Very high0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-57.3-44.9179.400000112.7S51 I52 E55 P251 I257 F258 V259S51-A255 VanDerWaalsContact C-CB 3.4Å; S51-A255 WeakPolarHBondContact O-CB 3.27Å; I52-A255 HydrophobicContact CB-CB 4.48Å; I52-A255 HydrophobicContact CG1-CB 3.86Å; E55-A255 HydrophobicContact CB-CB 4.42Å; P251-A255 VanDerWaalsContact O-CB 3.28Å; P251-A255 WeakPolarHBondContact O-CB 3.47Å; P251-A255 PolarHBondContact O-N 2.66Å; A255-I257 VanDerWaalsContact C-N 3.32Å; A255-I257 PolarHBondContact O-N 2.92Å; A255-F258 PolarHBondContact O-N 2.95Å; A255-V259 WeakPolarHBondContact O-CB 3.35Å; A255-V259 VanDerWaalsContact O-CG2 3.31Å; A255-V259 WeakPolarHBondContact O-CG2 3.35Å; A255-V259 PolarHBondContact O-N 3.37Å
256K98.6Very high95.8Very high136 Ų13645 Ų4559%0.59123%0.226SC*.Hα-helixtrans-58.4-42.3178.9-172176-176.9176.70112.8D252 Q253 V254 R260D252-K256 WeakPolarHBondContact O-CB 3.36Å; D252-K256 PolarHBondContact O-N 2.9Å; D252-K256 VanDerWaalsContact O-N 3.08Å; Q253-K256 PolarHBondContact O-N 3.47Å; V254-K256 PolarHBondContact O-N 3.05Å; K256-R260 WeakPolarHBondContact O-CB 3.47Å; K256-R260 PolarHBondContact O-N 2.9Å
257I98.6Very high96.8Very high34 Ų3443.5 Ų43.517%0.17422%0.215CC..Hα-helixtrans-68.4-48.4178.5-66.7166000110Q253 V254 A255 V259 R260 D261 V271Q253-I257 PolarHBondContact O-N 3.26Å; V254-I257 PolarHBondContact O-N 3.19Å; A255-I257 VanDerWaalsContact C-N 3.32Å; A255-I257 PolarHBondContact O-N 2.92Å; I257-V259 PolarHBondContact O-N 3.14Å; I257-R260 WeakPolarHBondContact O-CB 3.31Å; I257-R260 PolarHBondContact O-N 2.92Å; I257-D261 VanDerWaalsContact O-CG 3.3Å; I257-D261 PolarHBondContact O-N 3.18Å; I257-V271 HydrophobicContact CD1-CB 4.34Å; I257-V271 HydrophobicContact CD1-CG1 3.86Å; I257-V271 HydrophobicContact CD1-CG2 4.14Å
258F98.8Very high97.3Very high0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-63.4-44.9-177-70.2-1.4000112.2I48 I52 M173 V175 A218 P220 V254 A255 R260 D261 A262 S269 V271I48-F258 HydrophobicContact CG2-CD2 4.43Å; I48-F258 HydrophobicContact CG2-CE2 4.47Å; I52-F258 HydrophobicContact CD1-CD2 4.24Å; M173-F258 VanDerWaalsContact CE-C 3.48Å; M173-F258 HydrophobicContact CE-CB 3.75Å; M173-F258 WeakPolarHBondContact CE-O 3.23Å; M173-F258 HydrophobicContact SD-CB 4.06Å; V175-F258 HydrophobicContact CG1-CE2 4.42Å; A218-F258 HydrophobicContact CB-CD1 3.99Å; A218-F258 HydrophobicContact CB-CD2 3.73Å; A218-F258 HydrophobicContact CB-CE1 3.92Å; A218-F258 HydrophobicContact CB-CE2 3.68Å; A218-F258 HydrophobicContact CB-CG 3.89Å; A218-F258 HydrophobicContact CB-CZ 3.78Å; P220-F258 HydrophobicContact CB-CE2 3.98Å; P220-F258 HydrophobicContact CB-CZ 3.85Å; P220-F258 HydrophobicContact CG-CE2 4.25Å; P220-F258 HydrophobicContact CG-CZ 4.32Å; V254-F258 HydrophobicContact CG1-CD1 4.45Å; V254-F258 HydrophobicContact CG1-CD2 3.68Å; V254-F258 HydrophobicContact CG1-CE1 4.13Å; V254-F258 HydrophobicContact CG1-CE2 3.25Å; V254-F258 HydrophobicContact CG1-CG 4.27Å; V254-F258 HydrophobicContact CG1-CZ 3.51Å; V254-F258 WeakPolarHBondContact O-CG 3.49Å; V254-F258 PolarHBondContact O-N 2.9Å; A255-F258 PolarHBondContact O-N 2.95Å; F258-R260 PolarHBondContact O-N 2.58Å; F258-D261 PolarHBondContact O-N 3.35Å; F258-A262 WeakPolarHBondContact O-CB 3.4Å; F258-A262 PolarHBondContact O-N 3.31Å; F258-S269 WeakPolarHBondContact CD1-OG 3.49Å; F258-V271 HydrophobicContact CD1-CG2 4.34Å; F258-V271 HydrophobicContact CE1-CG2 3.57Å; F258-V271 HydrophobicContact CZ-CG2 4.02Å
259V98.9Very high97.6Very high0 Ų038.5 Ų38.50%018%0.177CC..Hα-helixtrans-61.8-45.6177.2172.60000110.8L34 I52 E55 A255 I257 D261 A262 V263L34-V259 HydrophobicContact CD1-CG1 3.7Å; I52-V259 HydrophobicContact CB-CG2 4.45Å; I52-V259 HydrophobicContact CG2-CG2 3.82Å; E55-V259 HydrophobicContact CB-CG2 4.05Å; E55-V259 HydrophobicContact CG-CB 3.85Å; E55-V259 HydrophobicContact CG-CG1 4.06Å; E55-V259 HydrophobicContact CG-CG2 3.83Å; A255-V259 WeakPolarHBondContact O-CB 3.35Å; A255-V259 VanDerWaalsContact O-CG2 3.31Å; A255-V259 WeakPolarHBondContact O-CG2 3.35Å; A255-V259 PolarHBondContact O-N 3.37Å; I257-V259 PolarHBondContact O-N 3.14Å; V259-D261 PolarHBondContact O-N 3.33Å; V259-A262 PolarHBondContact O-N 3.03Å; V259-V263 HydrophobicContact CG1-CG2 4.25Å; V259-V263 VanDerWaalsContact O-CB 3.28Å; V259-V263 WeakPolarHBondContact O-CB 3.43Å; V259-V263 VanDerWaalsContact O-CG2 3.26Å; V259-V263 WeakPolarHBondContact O-CG2 3.4Å; V259-V263 PolarHBondContact O-N 2.88Å
260R98.4Very high97.6Very high127 Ų12736.3 Ų36.348%0.47917%0.172SC..Hα-helixtrans-55.8-51.7176.3179.1-161.369.8-166.9-4.1111.1K256 I257 F258 V263 Q264K256-R260 WeakPolarHBondContact O-CB 3.47Å; K256-R260 PolarHBondContact O-N 2.9Å; I257-R260 WeakPolarHBondContact O-CB 3.31Å; I257-R260 PolarHBondContact O-N 2.92Å; F258-R260 PolarHBondContact O-N 2.58Å; R260-V263 PolarHBondContact O-N 3.48Å; R260-Q264 WeakPolarHBondContact O-CB 3.42Å; R260-Q264 VanDerWaalsContact O-CG 3.29Å; R260-Q264 WeakPolarHBondContact O-CG 3.45Å; R260-Q264 PolarHBondContact O-N 2.67Å
261D98Very high97.5Very high8 Ų832 Ų324%0.04315%0.152CC..Hα-helixtrans-66.5-41.5-174.3-69.7-13.3000111.4I257 F258 V259 Q264 G265 N266 S269I257-D261 VanDerWaalsContact O-CG 3.3Å; I257-D261 PolarHBondContact O-N 3.18Å; F258-D261 PolarHBondContact O-N 3.35Å; V259-D261 PolarHBondContact O-N 3.33Å; D261-Q264 CarbonylContact O-C 3.52Å; D261-Q264 PolarHBondContact O-N 3.48Å; D261-G265 PolarHBondContact O-N 3.49Å; D261-N266 HydrophobicContact CB-CB 4.02Å; D261-N266 WeakPolarHBondContact O-CB 3.28Å; D261-N266 PolarHBondContact O-N 3.43Å; D261-N266 PolarHBondContact OD1-ND2 2.8Å; D261-S269 WeakPolarHBondContact CB-OG 3.48Å; D261-S269 WeakPolarHBondContact OD2-CB 3.45Å; D261-S269 PolarHBondContact OD2-OG 2.82Å
262A98.4Very high97.2Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-72.3-34.4177.400000113.5M121 R171 M173 T216 F258 V259 Q264 G265M121-A262 HydrophobicContact CE-CB 3.22Å; R171-A262 WeakPolarHBondContact CD-O 3.36Å; R171-A262 WeakPolarHBondContact CG-O 3.37Å; R171-A262 PolarHBondContact NE-O 2.99Å; R171-A262 VanDerWaalsContact NE-O 3.1Å; M173-A262 HydrophobicContact CB-CB 4.48Å; M173-A262 HydrophobicContact CE-CB 3.28Å; T216-A262 HydrophobicContact CG2-CB 4.1Å; T216-A262 VanDerWaalsContact OG1-CA 3.29Å; T216-A262 WeakPolarHBondContact OG1-CA 3.32Å; F258-A262 WeakPolarHBondContact O-CB 3.4Å; F258-A262 PolarHBondContact O-N 3.31Å; V259-A262 PolarHBondContact O-N 3.03Å; A262-Q264 VanDerWaalsContact C-N 3.31Å; A262-Q264 PolarHBondContact O-N 3.19Å; A262-G265 PolarHBondContact O-N 3.4Å; A262-G265 VanDerWaalsContact O-N 3.11Å
263V98.3Very high96.9Very high17 Ų1733.6 Ų33.610%0.10317%0.171CC..Hα-helixtrans-59.1-46.3169.6158.60000110.6P31 L32 L34 R171 V259 R260 G265P31-V263 WeakPolarHBondContact CA-O 3.36Å; P31-V263 HydrophobicContact CB-CG1 4.11Å; L32-V263 PolarHBondContact N-O 2.84Å; L32-V263 WeakPolarHBondContact O-CG1 3.24Å; L34-V263 HydrophobicContact CD1-CG2 3.74Å; L34-V263 HydrophobicContact CD2-CG2 3.97Å; L34-V263 HydrophobicContact CG-CG2 3.71Å; R171-V263 PolarHBondContact NE-O 2.76Å; R171-V263 PolarHBondContact NH2-O 3.21Å; V259-V263 HydrophobicContact CG1-CG2 4.25Å; V259-V263 VanDerWaalsContact O-CB 3.28Å; V259-V263 WeakPolarHBondContact O-CB 3.43Å; V259-V263 VanDerWaalsContact O-CG2 3.26Å; V259-V263 WeakPolarHBondContact O-CG2 3.4Å; V259-V263 PolarHBondContact O-N 2.88Å; R260-V263 PolarHBondContact O-N 3.48Å; V263-G265 PolarHBondContact O-N 3.47Å
264Q96.4Very high96.6Very high77 Ų7731.4 Ų31.436%0.3616%0.163SC..Hα-helixtrans-64.1-28.2176.2-72176.4200111.7P29 R260 D261 A262 N266P29-Q264 VanDerWaalsContact CB-O 3.24Å; P29-Q264 WeakPolarHBondContact CB-O 3.08Å; P29-Q264 WeakPolarHBondContact CG-O 3.47Å; R260-Q264 WeakPolarHBondContact O-CB 3.42Å; R260-Q264 VanDerWaalsContact O-CG 3.29Å; R260-Q264 WeakPolarHBondContact O-CG 3.45Å; R260-Q264 PolarHBondContact O-N 2.67Å; D261-Q264 CarbonylContact O-C 3.52Å; D261-Q264 PolarHBondContact O-N 3.48Å; A262-Q264 VanDerWaalsContact C-N 3.31Å; A262-Q264 PolarHBondContact O-N 3.19Å; Q264-N266 PolarHBondContact OE1-ND2 2.8Å
265G96Very high96.4Very high0 Ų031.4 Ų31.40%016%0.163CC..THydrogen-bonded Turntrans87.222.7-175.600000112.5D261 A262 V263 T289D261-G265 PolarHBondContact O-N 3.49Å; A262-G265 PolarHBondContact O-N 3.4Å; A262-G265 VanDerWaalsContact O-N 3.11Å; V263-G265 PolarHBondContact O-N 3.47Å; G265-T289 WeakPolarHBondContact O-CG2 3.42Å
266N95.8Very high96.2Very high32 Ų3235.8 Ų35.817%0.17118%0.18CC..  trans-65.8132.8174.9-62-11.2000109T216 D261 Q264T216-N266 VanDerWaalsContact CB-O 3.3Å; T216-N266 WeakPolarHBondContact CB-O 3.49Å; T216-N266 WeakPolarHBondContact CG2-O 3.45Å; T216-N266 PolarHBondContact OG1-O 3.47Å; D261-N266 HydrophobicContact CB-CB 4.02Å; D261-N266 WeakPolarHBondContact O-CB 3.28Å; D261-N266 PolarHBondContact O-N 3.43Å; D261-N266 PolarHBondContact OD1-ND2 2.8Å; Q264-N266 PolarHBondContact OE1-ND2 2.8Å
267F96.7Very high96Very high1 Ų130.5 Ų30.50%0.00416%0.157CC..SBendtrans-74.4-43.3-176.2-177.7-95.6000111.5A201 E202 Q205 V215 T216 L217 P287 T289A201-F267 HydrophobicContact CB-CE2 4.25Å; A201-F267 HydrophobicContact CB-CZ 4.03Å; E202-F267 HydrophobicContact CB-CZ 4.4Å; E202-F267 HydrophobicContact CG-CE1 4.06Å; E202-F267 HydrophobicContact CG-CZ 3.64Å; Q205-F267 HydrophobicContact CB-CD2 4.24Å; Q205-F267 HydrophobicContact CB-CE2 3.9Å; Q205-F267 HydrophobicContact CG-CD2 4.05Å; Q205-F267 HydrophobicContact CG-CE2 4.22Å; V215-F267 HydrophobicContact CB-CE2 4.41Å; V215-F267 HydrophobicContact CG1-CE2 4.39Å; V215-F267 WeakPolarHBondContact O-CA 3.14Å; V215-F267 WeakPolarHBondContact O-CD2 3.29Å; T216-F267 CarbonylContact C-O 3.22Å; T216-F267 WeakPolarHBondContact CA-O 3.27Å; L217-F267 PolarHBondContact N-O 3.22Å; F267-P287 HydrophobicContact CB-CB 4.09Å; F267-P287 WeakPolarHBondContact CB-O 3.27Å; F267-P287 HydrophobicContact CD1-CB 4.25Å; F267-P287 HydrophobicContact CD1-CG 4.23Å; F267-P287 HydrophobicContact CD2-CB 4Å; F267-P287 HydrophobicContact CD2-CG 3.84Å; F267-P287 HydrophobicContact CE1-CG 4.33Å; F267-P287 HydrophobicContact CE2-CG 3.92Å; F267-P287 HydrophobicContact CG-CB 3.82Å; F267-P287 HydrophobicContact CG-CG 4.01Å; F267-P287 HydrophobicContact CZ-CG 4.17Å; F267-T289 HydrophobicContact CB-CG2 3.92Å
268N95.9Very high95.8Very high20 Ų2030.1 Ų30.111%0.10716%0.156CC..EExtended strand (participates in β ladder)trans-103.1136175-68.6-48.4000110.1F219F219-N268 HydrophobicContact CE2-CB 4.44Å; F219-N268 WeakPolarHBondContact CE2-OD1 3.47Å
269S97.4Very high95.6Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-129.7120.6171.2-1740000109.9L217 A218 F219 F258 D261L217-S269 PolarHBondContact O-N 3.15Å; A218-S269 CarbonylContact C-O 3.59Å; A218-S269 WeakPolarHBondContact CA-O 3.46Å; F219-S269 PolarHBondContact N-O 2.71Å; F258-S269 WeakPolarHBondContact CD1-OG 3.49Å; D261-S269 WeakPolarHBondContact CB-OG 3.48Å; D261-S269 WeakPolarHBondContact OD2-CB 3.45Å; D261-S269 PolarHBondContact OD2-OG 2.82Å
270S95.8Very high95.4Very high23 Ų2330.7 Ų30.716%0.16116%0.16CC..EExtended strand (participates in β ladder)trans-134.8156.1-17857.90000111.7G275 Y276 S279S270-G275 WeakPolarHBondContact CB-O 3.17Å; S270-G275 PolarHBondContact OG-O 3.45Å; S270-Y276 WeakPolarHBondContact OG-CA 3.24Å; S270-Y276 PolarHBondContact OG-N 2.94Å; S270-S279 VanDerWaalsContact CB-OG 3.26Å; S270-S279 WeakPolarHBondContact CB-OG 3.28Å; S270-S279 PolarHBondContact OG-OG 3.29Å
271V94.8Very high95.3Very high2 Ų226.2 Ų26.21%0.01215%0.145CC..  trans-112.9131.7-173.5-1770000109.7P221 W249 V254 I257 F258 G275P221-V271 HydrophobicContact CG-CB 4.19Å; P221-V271 HydrophobicContact CG-CG1 4.38Å; W249-V271 HydrophobicContact CD2-CG1 3.49Å; W249-V271 VanDerWaalsContact CD2-CG1 3.49Å; W249-V271 HydrophobicContact CE3-CG1 3.38Å; W249-V271 HydrophobicContact CG-CG1 4.19Å; W249-V271 HydrophobicContact CH2-CG1 3.82Å; W249-V271 HydrophobicContact CZ2-CG1 3.94Å; W249-V271 HydrophobicContact CZ3-CG1 3.54Å; V254-V271 HydrophobicContact CG1-CG2 4.22Å; V254-V271 HydrophobicContact CG2-CG2 4.3Å; I257-V271 HydrophobicContact CD1-CB 4.34Å; I257-V271 HydrophobicContact CD1-CG1 3.86Å; I257-V271 HydrophobicContact CD1-CG2 4.14Å; F258-V271 HydrophobicContact CD1-CG2 4.34Å; F258-V271 HydrophobicContact CE1-CG2 3.57Å; F258-V271 HydrophobicContact CZ-CG2 4.02Å; V271-G275 WeakPolarHBondContact O-CA 3.41Å; V271-G275 PolarHBondContact O-N 3.31Å
272G92.9Very high95.1Very high23 Ų2327.2 Ų27.224%0.23715%0.152CC..Hα-helixtrans71173.9176.400000114.7D274 G275 Y276G272-D274 PolarHBondContact O-N 3.48Å; G272-G275 PolarHBondContact O-N 2.97Å; G272-Y276 WeakPolarHBondContact O-CB 3.27Å; G272-Y276 PolarHBondContact O-N 3.12Å
273P91.6Very high94.8Very high104 Ų10427.5 Ų27.568%0.67515%0.154SC*.Hα-helixtrans-61.9-41.4-179.6-23.434.7000113.3Y276 M277P273-Y276 PolarHBondContact O-N 3.3Å; P273-M277 WeakPolarHBondContact O-CB 3.23Å; P273-M277 PolarHBondContact O-N 3.09Å
274D91.6Very high94.4Very high56 Ų5629.5 Ų29.530%0.29918%0.178SC..Hα-helixtrans-66.5-42.8-179.6-60.6-37000111.5G272 M277 L278G272-D274 PolarHBondContact O-N 3.48Å; D274-M277 PolarHBondContact O-N 3.1Å; D274-L278 VanDerWaalsContact O-CB 3.31Å; D274-L278 WeakPolarHBondContact O-CB 3.44Å; D274-L278 PolarHBondContact O-N 3.13Å
275G93.7Very high94.2Very high0 Ų034.5 Ų34.50%020%0.203CC..Hα-helixtrans-62.7-41.7174.100000112S270 V271 G272 L278 S279S270-G275 WeakPolarHBondContact CB-O 3.17Å; S270-G275 PolarHBondContact OG-O 3.45Å; V271-G275 WeakPolarHBondContact O-CA 3.41Å; V271-G275 PolarHBondContact O-N 3.31Å; G272-G275 PolarHBondContact O-N 2.97Å; G275-L278 PolarHBondContact O-N 3.39Å; G275-S279 WeakPolarHBondContact O-CB 3.49Å; G275-S279 PolarHBondContact O-N 3.14Å; G275-S279 PolarHBondContact O-OG 3.48Å; G275-S279 VanDerWaalsContact O-OG 3.13Å
276Y93.6Very high94.1Very high92 Ų9234.9 Ų34.936%0.36121%0.206SC..Hα-helixtrans-62.1-48174.8177.9-96.4000112S270 G272 P273 L278 S279 A280 Q296 F304S270-Y276 WeakPolarHBondContact OG-CA 3.24Å; S270-Y276 PolarHBondContact OG-N 2.94Å; G272-Y276 WeakPolarHBondContact O-CB 3.27Å; G272-Y276 PolarHBondContact O-N 3.12Å; P273-Y276 PolarHBondContact O-N 3.3Å; Y276-L278 VanDerWaalsContact C-N 3.34Å; Y276-L278 PolarHBondContact O-N 3.49Å; Y276-S279 PolarHBondContact O-N 2.86Å; Y276-A280 WeakPolarHBondContact O-CB 3.24Å; Y276-A280 PolarHBondContact O-N 2.94Å; Y276-Q296 PolarHBondContact OH-OE1 2.88Å; Y276-F304 HydrophobicContact CD1-CE2 4.24Å; Y276-F304 HydrophobicContact CD1-CZ 4.28Å; Y276-F304 AromaticContact CE1-CE2 3.97Å; Y276-F304 HydrophobicContact CE1-CE2 3.97Å; Y276-F304 HydrophobicContact CE1-CZ 4.06Å
277M95Very high93.9Very high24 Ų2435 Ų3512%0.11821%0.208CC..Hα-helixtrans-58.5-46.6177.1-177.5-177.46600111P273 D274 A280 L281 F304 I307 Y311P273-M277 WeakPolarHBondContact O-CB 3.23Å; P273-M277 PolarHBondContact O-N 3.09Å; D274-M277 PolarHBondContact O-N 3.1Å; M277-A280 PolarHBondContact O-N 3.29Å; M277-L281 HydrophobicContact CG-CD1 3.92Å; M277-L281 WeakPolarHBondContact O-CB 3.5Å; M277-L281 WeakPolarHBondContact O-CG 3.34Å; M277-L281 PolarHBondContact O-N 3.48Å; M277-F304 HydrophobicContact CB-CD2 4.42Å; M277-F304 HydrophobicContact CB-CE2 4.46Å; M277-F304 HydrophobicContact CG-CB 3.82Å; M277-F304 HydrophobicContact CG-CD1 3.84Å; M277-F304 HydrophobicContact CG-CD2 3.91Å; M277-F304 HydrophobicContact CG-CE1 4.31Å; M277-F304 HydrophobicContact CG-CE2 4.37Å; M277-F304 HydrophobicContact CG-CG 3.62Å; M277-F304 HydrophobicContact SD-CB 4.49Å; M277-F304 HydrophobicContact SD-CD1 4.29Å; M277-F304 HydrophobicContact SD-CG 4.48Å; M277-I307 HydrophobicContact CE-CG2 4.23Å; M277-I307 HydrophobicContact SD-CB 4.19Å; M277-I307 HydrophobicContact SD-CD1 4.47Å; M277-I307 HydrophobicContact SD-CG2 3.74Å; M277-Y311 HydrophobicContact CE-CD2 4.28Å; M277-Y311 HydrophobicContact CE-CE2 3.85Å
278L94.8Very high93.5Very high26 Ų2638 Ų3814%0.13623%0.227CC..Hα-helixtrans-63.9-42.9178.8-175.661.5000111.8Q178 Q181 I182 D274 G275 Y276 L281 T282Q178-L278 HydrophobicContact CB-CD2 3.84Å; Q178-L278 HydrophobicContact CG-CD2 4.08Å; Q181-L278 HydrophobicContact CB-CD1 4.46Å; Q181-L278 HydrophobicContact CB-CD2 4.05Å; Q181-L278 HydrophobicContact CB-CG 4.05Å; I182-L278 HydrophobicContact CB-CD1 4.35Å; I182-L278 HydrophobicContact CG2-CD1 4.33Å; I182-L278 HydrophobicContact CG2-CD2 4.12Å; D274-L278 VanDerWaalsContact O-CB 3.31Å; D274-L278 WeakPolarHBondContact O-CB 3.44Å; D274-L278 PolarHBondContact O-N 3.13Å; G275-L278 PolarHBondContact O-N 3.39Å; Y276-L278 VanDerWaalsContact C-N 3.34Å; Y276-L278 PolarHBondContact O-N 3.49Å; L278-L281 PolarHBondContact O-N 3.25Å; L278-T282 HydrophobicContact CD1-CG2 3.9Å; L278-T282 WeakPolarHBondContact O-CB 3.28Å; L278-T282 WeakPolarHBondContact O-CG2 3.41Å; L278-T282 PolarHBondContact O-N 3.09Å; L278-T282 PolarHBondContact O-OG1 2.84Å
279S94.7Very high92.9Very high8 Ų838.1 Ų38.16%0.05623%0.228CC..Hα-helixtrans-61.5-42.3173.5-67.90000112.8Q181 S270 G275 Y276 T282 C283Q181-S279 PolarHBondContact NE2-OG 3.44Å; S270-S279 VanDerWaalsContact CB-OG 3.26Å; S270-S279 WeakPolarHBondContact CB-OG 3.28Å; S270-S279 PolarHBondContact OG-OG 3.29Å; G275-S279 WeakPolarHBondContact O-CB 3.49Å; G275-S279 PolarHBondContact O-N 3.14Å; G275-S279 PolarHBondContact O-OG 3.48Å; G275-S279 VanDerWaalsContact O-OG 3.13Å; Y276-S279 PolarHBondContact O-N 2.86Å; S279-T282 PolarHBondContact O-N 3.42Å; S279-C283 WeakPolarHBondContact O-CA 3.39Å; S279-C283 WeakPolarHBondContact O-CB 3.32Å; S279-C283 PolarHBondContact O-N 2.9Å
280A93.9Very high92.3Very high4 Ų439.5 Ų39.53%0.03324%0.238CC..Hα-helixtrans-65.5-40.4175.700000111.9Y276 M277 T282 C283 M301 F304Y276-A280 WeakPolarHBondContact O-CB 3.24Å; Y276-A280 PolarHBondContact O-N 2.94Å; M277-A280 PolarHBondContact O-N 3.29Å; A280-T282 VanDerWaalsContact C-N 3.35Å; A280-T282 PolarHBondContact O-N 3.26Å; A280-C283 PolarHBondContact O-SG 3.02Å; A280-M301 WeakPolarHBondContact O-CE 3.16Å; A280-F304 HydrophobicContact CB-CD2 3.72Å; A280-F304 HydrophobicContact CB-CE2 3.76Å
281L95Very high91.8Very high34 Ų3440.8 Ų40.818%0.17824%0.242CC..Hα-helixtrans-66.9-36.8178.4-81.7165.3000113.9M277 L278 M301 F304 R305 A308M277-L281 HydrophobicContact CG-CD1 3.92Å; M277-L281 WeakPolarHBondContact O-CB 3.5Å; M277-L281 WeakPolarHBondContact O-CG 3.34Å; M277-L281 PolarHBondContact O-N 3.48Å; L278-L281 PolarHBondContact O-N 3.25Å; L281-M301 HydrophobicContact CD2-SD 4.27Å; L281-F304 HydrophobicContact CD1-CB 3.99Å; L281-F304 HydrophobicContact CD2-CB 3.77Å; L281-F304 HydrophobicContact CG-CB 3.7Å; L281-R305 VanDerWaalsContact CD2-CA 3.5Å; L281-R305 HydrophobicContact CD2-CB 3.88Å; L281-R305 VanDerWaalsContact CD2-N 3.33Å; L281-A308 HydrophobicContact CD1-CB 3.66Å
282T94.4Very high91.2Very high28 Ų2842.9 Ų42.917%0.17226%0.255CS..Hα-helixtrans-99.44.8-174.260.60000111.9Q181 R198 L278 S279 A280 G284Q181-T282 HydrophobicContact CB-CG2 4.15Å; Q181-T282 PolarHBondContact NE2-OG1 3.49Å; R198-T282 PolarHBondContact NH1-O 3.46Å; R198-T282 PolarHBondContact NH2-O 3.48Å; L278-T282 HydrophobicContact CD1-CG2 3.9Å; L278-T282 WeakPolarHBondContact O-CB 3.28Å; L278-T282 WeakPolarHBondContact O-CG2 3.41Å; L278-T282 PolarHBondContact O-N 3.09Å; L278-T282 PolarHBondContact O-OG1 2.84Å; S279-T282 PolarHBondContact O-N 3.42Å; A280-T282 VanDerWaalsContact C-N 3.35Å; A280-T282 PolarHBondContact O-N 3.26Å; T282-G284 PolarHBondContact O-N 3.25Å
283C92.2Very high91Very high6 Ų643.1 Ų43.14%0.04125%0.25CS..  trans-60.5-33.1-175.770.30000112.4R198 S279 A280 M285 S286R198-C283 PolarHBondContact NH2-O 2.89Å; R198-C283 VanDerWaalsContact NH2-O 3.15Å; S279-C283 WeakPolarHBondContact O-CA 3.39Å; S279-C283 WeakPolarHBondContact O-CB 3.32Å; S279-C283 PolarHBondContact O-N 2.9Å; A280-C283 PolarHBondContact O-SG 3.02Å; C283-M285 PolarHBondContact O-N 3.3Å; C283-M285 VanDerWaalsContact O-N 3.12Å; C283-S286 WeakPolarHBondContact O-CA 3.33Å; C283-S286 WeakPolarHBondContact O-CB 3.4Å; C283-S286 PolarHBondContact O-N 3.25Å; C283-S286 PolarHBondContact O-OG 3.29Å
284G90.8Very high90.9Very high59 Ų5938.9 Ų38.961%0.60823%0.225SC*.THydrogen-bonded Turntrans48.9-120.6177.400000112.1T282T282-G284 PolarHBondContact O-N 3.25Å
285M91.9Very high90.8Very high182 Ų18238.8 Ų38.890%0.89722%0.224SC*.THydrogen-bonded Turntrans-100.313.5174.7-64.6-60.9-64.400113.5C283C283-M285 PolarHBondContact O-N 3.3Å; C283-M285 VanDerWaalsContact O-N 3.12Å
286S92.9Very high90.5Very high9 Ų943.2 Ų43.26%0.06325%0.245CC..PPolyproline II helixtrans-56.9144.3178.5-61.70000110.7R198 E202 C283 V288R198-S286 PolarHBondContact NH2-OG 2.85Å; E202-S286 PolarHBondContact OE1-OG 3.32Å; C283-S286 WeakPolarHBondContact O-CA 3.33Å; C283-S286 WeakPolarHBondContact O-CB 3.4Å; C283-S286 PolarHBondContact O-N 3.25Å; C283-S286 PolarHBondContact O-OG 3.29Å; S286-V288 PolarHBondContact O-N 3.48Å
287P92.3Very high90.5Very high33 Ų3340.1 Ų40.121%0.21423%0.234CC..PPolyproline II helixtrans-53.4138.1176.8-26.732.7000113.2Q205 F267Q205-P287 HydrophobicContact CB-CG 4.32Å; Q205-P287 HydrophobicContact CG-CB 4.25Å; Q205-P287 HydrophobicContact CG-CG 3.85Å; F267-P287 HydrophobicContact CB-CB 4.09Å; F267-P287 WeakPolarHBondContact CB-O 3.27Å; F267-P287 HydrophobicContact CD1-CB 4.25Å; F267-P287 HydrophobicContact CD1-CG 4.23Å; F267-P287 HydrophobicContact CD2-CB 4Å; F267-P287 HydrophobicContact CD2-CG 3.84Å; F267-P287 HydrophobicContact CE1-CG 4.33Å; F267-P287 HydrophobicContact CE2-CG 3.92Å; F267-P287 HydrophobicContact CG-CB 3.82Å; F267-P287 HydrophobicContact CG-CG 4.01Å; F267-P287 HydrophobicContact CZ-CG 4.17Å
288V89.2Confident90.3Very high66 Ų6645.2 Ų45.240%0.426%0.26SS..PPolyproline II helixtrans-101.8146.4168.6-65.30000110.5S286S286-V288 PolarHBondContact O-N 3.48Å
289T82.6Confident90.1Very high22 Ų2249.7 Ų49.714%0.13529%0.289CS..SBendtrans-109-14-17458.80000113.8S28 G265 F267 E293S28-T289 PolarHBondContact OG-O 3.26Å; S28-T289 VanDerWaalsContact OG-O 3.14Å; G265-T289 WeakPolarHBondContact O-CG2 3.42Å; F267-T289 HydrophobicContact CB-CG2 3.92Å; T289-E293 PolarHBondContact N-OE2 2.93Å; T289-E293 PolarHBondContact OG1-OE2 3.41Å
290S84.6Confident90Very high28 Ų2850.8 Ų50.820%0.19630%0.295CS..SBendtrans-143155.8170.8620000110.6S24 T292 E293 G294S24-S290 VanDerWaalsContact OG-CB 3.3Å; S24-S290 WeakPolarHBondContact OG-CB 3.37Å; S290-T292 WeakPolarHBondContact CB-OG1 3.4Å; S290-T292 PolarHBondContact O-N 3.12Å; S290-T292 PolarHBondContact OG-OG1 3.31Å; S290-E293 PolarHBondContact O-N 2.88Å; S290-E293 WeakPolarHBondContact OG-CB 3.46Å; S290-E293 PolarHBondContact OG-N 3.28Å; S290-E293 VanDerWaalsContact OG-N 3.09Å; S290-G294 PolarHBondContact O-N 3.21Å
291I84.9Confident90Very high50 Ų5053.6 Ų53.626%0.25631%0.308SS..Hα-helixtrans-66.1-34.6174.3-60.7172.2000110L20 S24 I27 E293 G294 L295L20-I291 HydrophobicContact CB-CG2 3.87Å; L20-I291 HydrophobicContact CD1-CG2 3.87Å; L20-I291 HydrophobicContact CD2-CD1 4.14Å; L20-I291 HydrophobicContact CD2-CG2 4.14Å; L20-I291 HydrophobicContact CG-CG2 4.17Å; S24-I291 PolarHBondContact OG-N 3.08Å; I27-I291 HydrophobicContact CD1-CD1 3.99Å; I291-E293 PolarHBondContact O-N 3.01Å; I291-G294 PolarHBondContact O-N 3.01Å; I291-L295 HydrophobicContact CG2-CD1 4.27Å; I291-L295 HydrophobicContact CG2-CG 4.36Å; I291-L295 WeakPolarHBondContact O-CG 3.24Å; I291-L295 PolarHBondContact O-N 3.38Å
292T83.7Confident90Very high46 Ų4654.3 Ų54.328%0.28232%0.324SS..Hα-helixtrans-63-41.317848.50000112.2Y21 S290 L295 Q296Y21-T292 HydrophobicContact CD2-CG2 3.86Å; S290-T292 WeakPolarHBondContact CB-OG1 3.4Å; S290-T292 PolarHBondContact O-N 3.12Å; S290-T292 PolarHBondContact OG-OG1 3.31Å; T292-L295 PolarHBondContact O-N 3.33Å; T292-Q296 WeakPolarHBondContact O-CB 3.49Å; T292-Q296 VanDerWaalsContact O-CG 3.27Å; T292-Q296 WeakPolarHBondContact O-CG 3.28Å; T292-Q296 PolarHBondContact O-N 3.42Å
293E88.1Confident90Very high29 Ų2958.1 Ų58.114%0.13634%0.342CS..Hα-helixtrans-58.3-47.6173.2177.8-174.6-173.900110.9T289 S290 I291 L295 Q296 Q297T289-E293 PolarHBondContact N-OE2 2.93Å; T289-E293 PolarHBondContact OG1-OE2 3.41Å; S290-E293 PolarHBondContact O-N 2.88Å; S290-E293 WeakPolarHBondContact OG-CB 3.46Å; S290-E293 PolarHBondContact OG-N 3.28Å; S290-E293 VanDerWaalsContact OG-N 3.09Å; I291-E293 PolarHBondContact O-N 3.01Å; E293-L295 PolarHBondContact O-N 3.01Å; E293-Q296 PolarHBondContact O-N 2.89Å; E293-Q297 WeakPolarHBondContact O-CG 3.46Å; E293-Q297 PolarHBondContact O-N 3.2Å
294G89.4Confident90.2Very high14 Ų1459.3 Ų59.314%0.14435%0.347CS..Hα-helixtrans-62.4-42.3178.200000113.3S290 I291 Q297 I298S290-G294 PolarHBondContact O-N 3.21Å; I291-G294 PolarHBondContact O-N 3.01Å; G294-Q297 PolarHBondContact O-N 3.14Å; G294-I298 VanDerWaalsContact O-CG1 3.28Å; G294-I298 WeakPolarHBondContact O-CG1 3.35Å; G294-I298 PolarHBondContact O-N 3.46Å
295L88.6Confident90.4Very high55 Ų5562.4 Ų62.429%0.28834%0.34SS..Hα-helixtrans-64.3-41.8176.2-72.9175000112.3L20 I291 T292 E293 Q297 I298 V299L20-L295 HydrophobicContact CD1-CD1 3.83Å; I291-L295 HydrophobicContact CG2-CD1 4.27Å; I291-L295 HydrophobicContact CG2-CG 4.36Å; I291-L295 WeakPolarHBondContact O-CG 3.24Å; I291-L295 PolarHBondContact O-N 3.38Å; T292-L295 PolarHBondContact O-N 3.33Å; E293-L295 PolarHBondContact O-N 3.01Å; L295-Q297 VanDerWaalsContact C-N 3.35Å; L295-I298 PolarHBondContact O-N 3.18Å; L295-V299 WeakPolarHBondContact O-CG2 3.41Å; L295-V299 PolarHBondContact O-N 3.49Å
296Q88.6Confident90.6Very high93 Ų9356.8 Ų56.844%0.43532%0.319SS..Hα-helixtrans-58.4-49.7175.4-75.1171.8-10.500110.3Y276 T292 E293 I298 V299 T300Y276-Q296 PolarHBondContact OH-OE1 2.88Å; T292-Q296 WeakPolarHBondContact O-CB 3.49Å; T292-Q296 VanDerWaalsContact O-CG 3.27Å; T292-Q296 WeakPolarHBondContact O-CG 3.28Å; T292-Q296 PolarHBondContact O-N 3.42Å; E293-Q296 PolarHBondContact O-N 2.89Å; Q296-I298 VanDerWaalsContact C-N 3.35Å; Q296-I298 PolarHBondContact O-N 3.22Å; Q296-V299 PolarHBondContact O-N 3.43Å; Q296-T300 WeakPolarHBondContact O-CB 3.39Å; Q296-T300 WeakPolarHBondContact O-CG2 3.36Å; Q296-T300 PolarHBondContact O-N 3.42Å; Q296-T300 PolarHBondContact O-OG1 2.96Å
297Q92.4Very high90.7Very high26 Ų2659.4 Ų59.412%0.12133%0.331CS..Hα-helixtrans-56-47.6177.4-70.3168.80.200111.6E293 G294 L295 V299 T300 M301E293-Q297 WeakPolarHBondContact O-CG 3.46Å; E293-Q297 PolarHBondContact O-N 3.2Å; G294-Q297 PolarHBondContact O-N 3.14Å; L295-Q297 VanDerWaalsContact C-N 3.35Å; Q297-V299 VanDerWaalsContact C-N 3.35Å; Q297-V299 PolarHBondContact O-N 3.01Å; Q297-T300 PolarHBondContact O-N 3.19Å; Q297-M301 VanDerWaalsContact O-CB 3.24Å; Q297-M301 WeakPolarHBondContact O-CB 3.23Å; Q297-M301 PolarHBondContact O-N 3.21Å
298I92Very high90.7Very high132 Ų13258.5 Ų58.568%0.67733%0.327SS*.Hα-helixtrans-58.5-46.6179-69.2163.8000111.4G294 L295 Q296G294-I298 VanDerWaalsContact O-CG1 3.28Å; G294-I298 WeakPolarHBondContact O-CG1 3.35Å; G294-I298 PolarHBondContact O-N 3.46Å; L295-I298 PolarHBondContact O-N 3.18Å; Q296-I298 VanDerWaalsContact C-N 3.35Å; Q296-I298 PolarHBondContact O-N 3.22Å
299V90.9Very high91.1Very high120 Ų12059.9 Ų59.973%0.72733%0.331SS*.Hα-helixtrans-72.9-40-175.3172.90000111.8L295 Q296 Q297L295-V299 WeakPolarHBondContact O-CG2 3.41Å; L295-V299 PolarHBondContact O-N 3.49Å; Q296-V299 PolarHBondContact O-N 3.43Å; Q297-V299 VanDerWaalsContact C-N 3.35Å; Q297-V299 PolarHBondContact O-N 3.01Å
300T92Very high91.6Very high30 Ų3066.7 Ų66.718%0.18436%0.359CS..Hα-helixtrans-89.2-16.5-172.763.80000113.8Q296 Q297 G302 L303 F304Q296-T300 WeakPolarHBondContact O-CB 3.39Å; Q296-T300 WeakPolarHBondContact O-CG2 3.36Å; Q296-T300 PolarHBondContact O-N 3.42Å; Q296-T300 PolarHBondContact O-OG1 2.96Å; Q297-T300 PolarHBondContact O-N 3.19Å; T300-G302 PolarHBondContact O-N 3.38Å; T300-L303 PolarHBondContact O-N 3.15Å; T300-F304 VanDerWaalsContact CB-CE2 3.49Å; T300-F304 HydrophobicContact CG2-CE2 4.19Å; T300-F304 HydrophobicContact CG2-CZ 4.08Å; T300-F304 WeakPolarHBondContact O-CB 3.33Å; T300-F304 WeakPolarHBondContact O-CG 3.49Å; T300-F304 PolarHBondContact O-N 3.11Å; T300-F304 WeakPolarHBondContact OG1-CD2 3.4Å; T300-F304 VanDerWaalsContact OG1-CE2 3.23Å; T300-F304 WeakPolarHBondContact OG1-CE2 3.25Å
301M93Very high92Very high64 Ų6469.2 Ų69.232%0.31537%0.365SS..Hα-helixtrans-51.9-49.8-173.6-174.167.775.300113.1A280 L281 Q297 L303 R305A280-M301 WeakPolarHBondContact O-CE 3.16Å; L281-M301 HydrophobicContact CD2-SD 4.27Å; Q297-M301 VanDerWaalsContact O-CB 3.24Å; Q297-M301 WeakPolarHBondContact O-CB 3.23Å; Q297-M301 PolarHBondContact O-N 3.21Å; M301-L303 PolarHBondContact O-N 2.78Å; M301-R305 VanDerWaalsContact O-CB 3.22Å; M301-R305 WeakPolarHBondContact O-CB 3.3Å; M301-R305 PolarHBondContact O-N 3.34Å
302G94.8Very high92.5Very high49 Ų4969.9 Ų69.951%0.50537%0.369SS..Hα-helixtrans-65.7-40.4-177.600000113.2T300 R305 S306T300-G302 PolarHBondContact O-N 3.38Å; G302-R305 PolarHBondContact O-N 2.67Å; G302-S306 PolarHBondContact O-N 3.17Å; G302-S306 VanDerWaalsContact O-N 3.1Å; G302-S306 PolarHBondContact O-OG 3.41Å
303L94.6Very high93.1Very high108 Ų10869.6 Ų69.657%0.56538%0.375SS*.Hα-helixtrans-65.3-52.1176.5175.262.4000110.7T300 M301 R305 S306 I307T300-L303 PolarHBondContact O-N 3.15Å; M301-L303 PolarHBondContact O-N 2.78Å; L303-R305 PolarHBondContact O-N 3.12Å; L303-S306 WeakPolarHBondContact O-CB 3.43Å; L303-S306 PolarHBondContact O-N 2.68Å; L303-S306 VanDerWaalsContact O-N 3.12Å; L303-I307 HydrophobicContact CD1-CD1 4.41Å; L303-I307 HydrophobicContact CG-CD1 4.3Å; L303-I307 PolarHBondContact O-N 2.78Å; L303-I307 VanDerWaalsContact O-N 3.08Å
304F96.1Very high93.4Very high30 Ų3070.8 Ų70.813%0.13239%0.387CS..Hα-helixtrans-62-34.6179.3-67.8-14.6000111.6Y276 M277 A280 L281 T300 S306 I307 A308Y276-F304 HydrophobicContact CD1-CE2 4.24Å; Y276-F304 HydrophobicContact CD1-CZ 4.28Å; Y276-F304 AromaticContact CE1-CE2 3.97Å; Y276-F304 HydrophobicContact CE1-CE2 3.97Å; Y276-F304 HydrophobicContact CE1-CZ 4.06Å; M277-F304 HydrophobicContact CB-CD2 4.42Å; M277-F304 HydrophobicContact CB-CE2 4.46Å; M277-F304 HydrophobicContact CG-CB 3.82Å; M277-F304 HydrophobicContact CG-CD1 3.84Å; M277-F304 HydrophobicContact CG-CD2 3.91Å; M277-F304 HydrophobicContact CG-CE1 4.31Å; M277-F304 HydrophobicContact CG-CE2 4.37Å; M277-F304 HydrophobicContact CG-CG 3.62Å; M277-F304 HydrophobicContact SD-CB 4.49Å; M277-F304 HydrophobicContact SD-CD1 4.29Å; M277-F304 HydrophobicContact SD-CG 4.48Å; A280-F304 HydrophobicContact CB-CD2 3.72Å; A280-F304 HydrophobicContact CB-CE2 3.76Å; L281-F304 HydrophobicContact CD1-CB 3.99Å; L281-F304 HydrophobicContact CD2-CB 3.77Å; L281-F304 HydrophobicContact CG-CB 3.7Å; T300-F304 VanDerWaalsContact CB-CE2 3.49Å; T300-F304 HydrophobicContact CG2-CE2 4.19Å; T300-F304 HydrophobicContact CG2-CZ 4.08Å; T300-F304 WeakPolarHBondContact O-CB 3.33Å; T300-F304 WeakPolarHBondContact O-CG 3.49Å; T300-F304 PolarHBondContact O-N 3.11Å; T300-F304 WeakPolarHBondContact OG1-CD2 3.4Å; T300-F304 VanDerWaalsContact OG1-CE2 3.23Å; T300-F304 WeakPolarHBondContact OG1-CE2 3.25Å; F304-S306 VanDerWaalsContact C-N 3.33Å; F304-S306 PolarHBondContact O-N 3.15Å; F304-I307 HydrophobicContact CD1-CD1 4.45Å; F304-I307 PolarHBondContact O-N 2.64Å; F304-A308 WeakPolarHBondContact O-CB 3.4Å; F304-A308 PolarHBondContact O-N 3.46Å
305R96.1Very high93.7Very high124 Ų12471.6 Ų71.647%0.46839%0.386SS..Hα-helixtrans-66.7-39.2177.1-177.957.1178.7148.7-0.2111.2L281 M301 G302 L303 A308 L309L281-R305 VanDerWaalsContact CD2-CA 3.5Å; L281-R305 HydrophobicContact CD2-CB 3.88Å; L281-R305 VanDerWaalsContact CD2-N 3.33Å; M301-R305 VanDerWaalsContact O-CB 3.22Å; M301-R305 WeakPolarHBondContact O-CB 3.3Å; M301-R305 PolarHBondContact O-N 3.34Å; G302-R305 PolarHBondContact O-N 2.67Å; L303-R305 PolarHBondContact O-N 3.12Å; R305-A308 PolarHBondContact O-N 3.38Å; R305-L309 WeakPolarHBondContact O-CG 3.39Å; R305-L309 PolarHBondContact O-N 3.36Å; R305-L309 VanDerWaalsContact O-N 3.13Å
306S95.6Very high94.1Very high65 Ų6574.4 Ų74.446%0.45540%0.402SS..Hα-helixtrans-60.8-45.8174.8-56.80000110.9G302 L303 F304 L309 F310G302-S306 PolarHBondContact O-N 3.17Å; G302-S306 VanDerWaalsContact O-N 3.1Å; G302-S306 PolarHBondContact O-OG 3.41Å; L303-S306 WeakPolarHBondContact O-CB 3.43Å; L303-S306 PolarHBondContact O-N 2.68Å; L303-S306 VanDerWaalsContact O-N 3.12Å; F304-S306 VanDerWaalsContact C-N 3.33Å; F304-S306 PolarHBondContact O-N 3.15Å; S306-L309 PolarHBondContact O-N 3.48Å; S306-F310 WeakPolarHBondContact O-CD2 3.32Å
307I94.3Very high94.4Very high63 Ų6372.7 Ų72.732%0.32340%0.4SS..Hα-helixtrans-61.4-45.6175.5-65168.1000111.1M277 L303 F304 L309 F310 Y311M277-I307 HydrophobicContact CE-CG2 4.23Å; M277-I307 HydrophobicContact SD-CB 4.19Å; M277-I307 HydrophobicContact SD-CD1 4.47Å; M277-I307 HydrophobicContact SD-CG2 3.74Å; L303-I307 HydrophobicContact CD1-CD1 4.41Å; L303-I307 HydrophobicContact CG-CD1 4.3Å; L303-I307 PolarHBondContact O-N 2.78Å; L303-I307 VanDerWaalsContact O-N 3.08Å; F304-I307 HydrophobicContact CD1-CD1 4.45Å; F304-I307 PolarHBondContact O-N 2.64Å; I307-L309 VanDerWaalsContact C-N 3.26Å; I307-L309 PolarHBondContact O-N 2.74Å; I307-F310 WeakPolarHBondContact O-CB 3.5Å; I307-F310 PolarHBondContact O-N 3.16Å; I307-Y311 HydrophobicContact CG2-CD2 3.88Å; I307-Y311 HydrophobicContact CG2-CE2 3.61Å; I307-Y311 PolarHBondContact O-N 3.29Å
308A94.2Very high94.6Very high14 Ų1472 Ų7212%0.11640%0.397CS..Hα-helixtrans-61.9-29.7-17900000113.7L281 F304 R305 F310 Y311 L312L281-A308 HydrophobicContact CD1-CB 3.66Å; F304-A308 WeakPolarHBondContact O-CB 3.4Å; F304-A308 PolarHBondContact O-N 3.46Å; R305-A308 PolarHBondContact O-N 3.38Å; A308-F310 VanDerWaalsContact C-N 3.27Å; A308-F310 PolarHBondContact O-N 3.4Å; A308-Y311 PolarHBondContact O-N 2.91Å; A308-L312 WeakPolarHBondContact O-CG 3.31Å; A308-L312 PolarHBondContact O-N 3.33Å
309L96Very high94.9Very high95 Ų9567.7 Ų67.750%0.49738%0.377SS..Hα-helixtrans-63.6-34.1174.1-69.7171.1000112R305 S306 I307 G313R305-L309 WeakPolarHBondContact O-CG 3.39Å; R305-L309 PolarHBondContact O-N 3.36Å; R305-L309 VanDerWaalsContact O-N 3.13Å; S306-L309 PolarHBondContact O-N 3.48Å; I307-L309 VanDerWaalsContact C-N 3.26Å; I307-L309 PolarHBondContact O-N 2.74Å; L309-G313 PolarHBondContact O-N 2.95Å
310F94.4Very high95.2Very high165 Ų16570 Ų7072%0.72437%0.372SS*.Hα-helixtrans-69.2-40.6172.8-65.9-83.2000111.9S306 I307 A308 G313 S314S306-F310 WeakPolarHBondContact O-CD2 3.32Å; I307-F310 WeakPolarHBondContact O-CB 3.5Å; I307-F310 PolarHBondContact O-N 3.16Å; A308-F310 VanDerWaalsContact C-N 3.27Å; A308-F310 PolarHBondContact O-N 3.4Å; F310-G313 PolarHBondContact O-N 2.98Å; F310-S314 WeakPolarHBondContact O-CB 3.45Å; F310-S314 PolarHBondContact O-N 3.28Å
311Y93.3Very high95.4Very high82 Ų8275 Ų7532%0.32239%0.388SS..Hα-helixtrans-59.7-46.8173.6-81.8-84.5000111.7M277 I307 A308 G313 S314 F315M277-Y311 HydrophobicContact CE-CD2 4.28Å; M277-Y311 HydrophobicContact CE-CE2 3.85Å; I307-Y311 HydrophobicContact CG2-CD2 3.88Å; I307-Y311 HydrophobicContact CG2-CE2 3.61Å; I307-Y311 PolarHBondContact O-N 3.29Å; A308-Y311 PolarHBondContact O-N 2.91Å; Y311-G313 PolarHBondContact O-N 3.02Å; Y311-S314 WeakPolarHBondContact O-CB 3.32Å; Y311-S314 PolarHBondContact O-N 3.44Å; Y311-S314 VanDerWaalsContact O-N 3.14Å; Y311-F315 HydrophobicContact CD1-CE1 4.3Å; Y311-F315 HydrophobicContact CD1-CZ 4.15Å; Y311-F315 WeakPolarHBondContact O-CD1 3.37Å; Y311-F315 VanDerWaalsContact O-CG 3.23Å; Y311-F315 WeakPolarHBondContact O-CG 3.42Å; Y311-F315 PolarHBondContact O-N 3.18Å
312L94.4Very high95.5Very high64 Ų6472.2 Ų72.234%0.33537%0.374SS..Hα-helixtrans-60.1-45.6177.1-70.4172.9000111.7I182 A308 S314 F315 D316I182-L312 HydrophobicContact CD1-CD2 4.25Å; A308-L312 WeakPolarHBondContact O-CG 3.31Å; A308-L312 PolarHBondContact O-N 3.33Å; L312-S314 VanDerWaalsContact C-N 3.29Å; L312-S314 PolarHBondContact O-N 2.96Å; L312-F315 PolarHBondContact O-N 2.9Å; L312-D316 PolarHBondContact O-N 2.94Å
313G95.8Very high95.6Very high40 Ų4073.2 Ų73.241%0.41237%0.367SS..Hα-helixtrans-61.5-36174.900000113.3L309 F310 Y311 S317L309-G313 PolarHBondContact O-N 2.95Å; F310-G313 PolarHBondContact O-N 2.98Å; Y311-G313 PolarHBondContact O-N 3.02Å; G313-S317 WeakPolarHBondContact O-CB 3.45Å; G313-S317 PolarHBondContact O-N 3.37Å
314S94.9Very high95.6Very high54 Ų5471.4 Ų71.438%0.37836%0.357SS..Hα-helixtrans-65.5-44.6173.6-173.70000111.7F310 Y311 L312 S317 I318F310-S314 WeakPolarHBondContact O-CB 3.45Å; F310-S314 PolarHBondContact O-N 3.28Å; Y311-S314 WeakPolarHBondContact O-CB 3.32Å; Y311-S314 PolarHBondContact O-N 3.44Å; Y311-S314 VanDerWaalsContact O-N 3.14Å; L312-S314 VanDerWaalsContact C-N 3.29Å; L312-S314 PolarHBondContact O-N 2.96Å; S314-S317 WeakPolarHBondContact O-CB 3.34Å; S314-S317 PolarHBondContact O-N 2.89Å; S314-I318 WeakPolarHBondContact O-CG1 3.22Å; S314-I318 PolarHBondContact O-N 3.5Å
315F95.6Very high95.5Very high30 Ų3074.9 Ų74.913%0.13237%0.373CS..Hα-helixtrans-62.1-45.7177.3-61.7-15000111.5I182 L184 I242 Y311 L312 S317 I318 V319I182-F315 HydrophobicContact CD1-CE2 4.33Å; L184-F315 HydrophobicContact CD2-CE2 4.27Å; I242-F315 HydrophobicContact CB-CD1 4.42Å; I242-F315 HydrophobicContact CD1-CB 4.25Å; I242-F315 HydrophobicContact CD1-CG 4.46Å; I242-F315 HydrophobicContact CG1-CB 4.39Å; I242-F315 HydrophobicContact CG1-CD1 3.93Å; I242-F315 HydrophobicContact CG1-CG 4.25Å; I242-F315 HydrophobicContact CG2-CD1 3.99Å; I242-F315 HydrophobicContact CG2-CD2 4.49Å; I242-F315 HydrophobicContact CG2-CE1 3.85Å; I242-F315 HydrophobicContact CG2-CE2 4.35Å; I242-F315 HydrophobicContact CG2-CG 4.32Å; I242-F315 HydrophobicContact CG2-CZ 4.04Å; Y311-F315 HydrophobicContact CD1-CE1 4.3Å; Y311-F315 HydrophobicContact CD1-CZ 4.15Å; Y311-F315 WeakPolarHBondContact O-CD1 3.37Å; Y311-F315 VanDerWaalsContact O-CG 3.23Å; Y311-F315 WeakPolarHBondContact O-CG 3.42Å; Y311-F315 PolarHBondContact O-N 3.18Å; L312-F315 PolarHBondContact O-N 2.9Å; F315-S317 VanDerWaalsContact C-N 3.28Å; F315-S317 PolarHBondContact O-N 3.44Å; F315-I318 WeakPolarHBondContact O-CB 3.41Å; F315-I318 PolarHBondContact O-N 3.1Å; F315-V319 WeakPolarHBondContact O-CG2 3.41Å; F315-V319 PolarHBondContact O-N 2.86Å
316D96.4Very high95.3Very high115 Ų11573 Ų7362%0.61537%0.366SS*.Hα-helixtrans-60.2-39.5175.4-71.3-19000111.7L312 R320L312-D316 PolarHBondContact O-N 2.94Å; D316-R320 WeakPolarHBondContact O-CB 3.37Å; D316-R320 PolarHBondContact O-N 2.98Å
317S96.7Very high95.1Very high57 Ų5775 Ų7540%0.39937%0.369SS..Hα-helixtrans-65.3-41.7175.6-174.20000112.4G313 S314 F315 R321G313-S317 WeakPolarHBondContact O-CB 3.45Å; G313-S317 PolarHBondContact O-N 3.37Å; S314-S317 WeakPolarHBondContact O-CB 3.34Å; S314-S317 PolarHBondContact O-N 2.89Å; F315-S317 VanDerWaalsContact C-N 3.28Å; F315-S317 PolarHBondContact O-N 3.44Å; S317-R321 WeakPolarHBondContact O-CB 3.16Å; S317-R321 VanDerWaalsContact O-CG 3.28Å; S317-R321 WeakPolarHBondContact O-CG 3.38Å; S317-R321 PolarHBondContact O-N 3.37Å; S317-R321 PolarHBondContact O-NE 2.93Å
318I96.6Very high95Very high10 Ų1077.6 Ų77.65%0.05138%0.38CS..Hα-helixtrans-59.6-52.8174.5-71.2164.6000110.1L241 I242 S314 F315 R320 R321 C322L241-I318 HydrophobicContact CB-CD1 4.39Å; L241-I318 HydrophobicContact CB-CG2 3.65Å; L241-I318 HydrophobicContact CD1-CG2 3.93Å; L241-I318 HydrophobicContact CG-CG2 4.46Å; I242-I318 HydrophobicContact CG1-CD1 4.14Å; I242-I318 HydrophobicContact CG1-CG2 4.2Å; S314-I318 WeakPolarHBondContact O-CG1 3.22Å; S314-I318 PolarHBondContact O-N 3.5Å; F315-I318 WeakPolarHBondContact O-CB 3.41Å; F315-I318 PolarHBondContact O-N 3.1Å; I318-R320 VanDerWaalsContact C-N 3.33Å; I318-R320 PolarHBondContact O-N 3.13Å; I318-R321 PolarHBondContact O-N 3.48Å; I318-C322 PolarHBondContact O-N 2.99Å; I318-C322 PolarHBondContact O-SG 3.45Å
319V96.6Very high94.7Very high42 Ų4280.3 Ų80.326%0.25540%0.397SS..Hα-helixtrans-58.9-45.4-178.8174.10000111.1F185 E238 I242 F315 R321 C322 M323F185-V319 HydrophobicContact CB-CG2 4.22Å; F185-V319 HydrophobicContact CD2-CG1 4.01Å; F185-V319 HydrophobicContact CD2-CG2 3.88Å; F185-V319 HydrophobicContact CE2-CG1 4.06Å; F185-V319 HydrophobicContact CG-CG2 4.25Å; E238-V319 HydrophobicContact CB-CG2 4.36Å; E238-V319 HydrophobicContact CG-CG2 4.34Å; I242-V319 HydrophobicContact CD1-CG2 4.23Å; F315-V319 WeakPolarHBondContact O-CG2 3.41Å; F315-V319 PolarHBondContact O-N 2.86Å; V319-R321 PolarHBondContact O-N 3.37Å; V319-C322 PolarHBondContact O-N 3.38Å; V319-M323 WeakPolarHBondContact O-CB 3.28Å; V319-M323 PolarHBondContact O-N 3.18Å
320R97.2Very high94.2Very high169 Ų16983.4 Ų83.464%0.63841%0.407SS*.Hα-helixtrans-61.6-44.2177.6-176.1-179.3-67.8-104.50.2112.2D316 I318 M323 I324D316-R320 WeakPolarHBondContact O-CB 3.37Å; D316-R320 PolarHBondContact O-N 2.98Å; I318-R320 VanDerWaalsContact C-N 3.33Å; I318-R320 PolarHBondContact O-N 3.13Å; R320-M323 HydrophobicContact CG-CE 4.47Å; R320-M323 PolarHBondContact O-N 3.36Å; R320-I324 HydrophobicContact CG-CD1 4.03Å; R320-I324 WeakPolarHBondContact O-CG1 3.39Å; R320-I324 PolarHBondContact O-N 3.03Å
321R97Very high93.5Very high136 Ų13683.3 Ų83.351%0.51341%0.409SS..Hα-helixtrans-62.5-45.1178.7-76.7-175.9-64.91671111.8S317 I318 V319 M323 I324 Q325S317-R321 WeakPolarHBondContact O-CB 3.16Å; S317-R321 VanDerWaalsContact O-CG 3.28Å; S317-R321 WeakPolarHBondContact O-CG 3.38Å; S317-R321 PolarHBondContact O-N 3.37Å; S317-R321 PolarHBondContact O-NE 2.93Å; I318-R321 PolarHBondContact O-N 3.48Å; V319-R321 PolarHBondContact O-N 3.37Å; R321-M323 VanDerWaalsContact C-N 3.31Å; R321-M323 PolarHBondContact O-N 3.03Å; R321-I324 PolarHBondContact O-N 2.94Å; R321-Q325 WeakPolarHBondContact O-CG 3.39Å; R321-Q325 PolarHBondContact O-N 3.49Å
322C95.8Very high92.7Very high4 Ų483.5 Ų83.53%0.02743%0.427CS..Hα-helixtrans-64.8-35.8177.2-67.40000112.5E238 I318 V319 R326E238-C322 HydrophobicContact CG-CB 3.57Å; I318-C322 PolarHBondContact O-N 2.99Å; I318-C322 PolarHBondContact O-SG 3.45Å; V319-C322 PolarHBondContact O-N 3.38Å; C322-R326 WeakPolarHBondContact O-CG 3.49Å; C322-R326 PolarHBondContact O-N 3.38Å; C322-R326 VanDerWaalsContact O-N 3.15Å
323M95.3Very high91.1Very high70 Ų7089.9 Ų89.935%0.34546%0.462SS..Hα-helixtrans-62.2-51.7173.7175.2-89.7-76.500111.6V319 R320 R321 Q325 R326 E327V319-M323 WeakPolarHBondContact O-CB 3.28Å; V319-M323 PolarHBondContact O-N 3.18Å; R320-M323 HydrophobicContact CG-CE 4.47Å; R320-M323 PolarHBondContact O-N 3.36Å; R321-M323 VanDerWaalsContact C-N 3.31Å; R321-M323 PolarHBondContact O-N 3.03Å; M323-Q325 VanDerWaalsContact C-N 3.33Å; M323-Q325 PolarHBondContact O-N 3.32Å; M323-R326 PolarHBondContact O-N 3.04Å; M323-R326 VanDerWaalsContact O-N 3.13Å; M323-E327 PolarHBondContact O-N 3.47Å; M323-E327 VanDerWaalsContact SD-CD 3.57Å; M323-E327 HydrophobicContact SD-CG 4.41Å
324I95.6Very high90.9Very high70 Ų7092.4 Ų92.436%0.35946%0.464SS..Hα-helixtrans-58.8-44.7178.9-67.3166.7000111.1R320 R321 R326 E327 Q328R320-I324 HydrophobicContact CG-CD1 4.03Å; R320-I324 WeakPolarHBondContact O-CG1 3.39Å; R320-I324 PolarHBondContact O-N 3.03Å; R321-I324 PolarHBondContact O-N 2.94Å; I324-R326 VanDerWaalsContact C-N 3.3Å; I324-R326 PolarHBondContact O-N 3Å; I324-E327 PolarHBondContact O-N 3.04Å; I324-Q328 HydrophobicContact CG2-CG 4.44Å; I324-Q328 WeakPolarHBondContact O-CG 3.36Å; I324-Q328 PolarHBondContact O-N 3.06Å
325Q93.4Very high90.7Very high103 Ų10394.4 Ų94.448%0.48147%0.469SS..Hα-helixtrans-58.9-40.9178.1-76174.5-13.200112.1R321 M323 S329R321-Q325 WeakPolarHBondContact O-CG 3.39Å; R321-Q325 PolarHBondContact O-N 3.49Å; M323-Q325 VanDerWaalsContact C-N 3.33Å; M323-Q325 PolarHBondContact O-N 3.32Å; Q325-S329 PolarHBondContact O-N 3.1Å; Q325-S329 PolarHBondContact O-OG 3.39Å; Q325-S329 VanDerWaalsContact O-OG 3.11Å
326R92.6Very high90.4Very high85 Ų8598 Ų9832%0.32149%0.487SS..Hα-helixtrans-69.2-37.4177.6-75-174-59.8-136.4-4.1113.2E238 C322 M323 I324 S329 K330E238-R326 IonicContact OE1-CZ 2.97Å; E238-R326 IonicContact OE1-NH1 3.91Å; E238-R326 PolarHBondContact OE1-NH1 3.28Å; E238-R326 IonicContact OE1-NH2 3.85Å; E238-R326 PolarHBondContact OE1-NH2 3.4Å; E238-R326 IonicContact OE2-NH1 3.96Å; E238-R326 PolarHBondContact OE2-NH1 3.25Å; C322-R326 WeakPolarHBondContact O-CG 3.49Å; C322-R326 PolarHBondContact O-N 3.38Å; C322-R326 VanDerWaalsContact O-N 3.15Å; M323-R326 PolarHBondContact O-N 3.04Å; M323-R326 VanDerWaalsContact O-N 3.13Å; I324-R326 VanDerWaalsContact C-N 3.3Å; I324-R326 PolarHBondContact O-N 3Å; R326-S329 PolarHBondContact O-N 3.24Å; R326-K330 WeakPolarHBondContact O-CG 3.33Å; R326-K330 PolarHBondContact O-N 2.96Å; R326-K330 VanDerWaalsContact O-N 3.1Å
327E92Very high90.1Very high107 Ų10797 Ų9750%0.548%0.48SS..Hα-helixtrans-63.4-45.8175.6-71.4179.7165.500110.6M323 I324 S329 K330 E331M323-E327 PolarHBondContact O-N 3.47Å; M323-E327 VanDerWaalsContact SD-CD 3.57Å; M323-E327 HydrophobicContact SD-CG 4.41Å; I324-E327 PolarHBondContact O-N 3.04Å; E327-S329 VanDerWaalsContact C-N 3.34Å; E327-S329 PolarHBondContact O-N 3.06Å; E327-K330 PolarHBondContact O-N 3.39Å; E327-K330 VanDerWaalsContact O-N 3.16Å; E327-E331 WeakPolarHBondContact O-CG 3.49Å; E327-E331 PolarHBondContact O-N 3.01Å
328Q91.5Very high89.6Confident118 Ų11899.5 Ų99.555%0.55149%0.485SS*.Hα-helixtrans-61.4-39.5176.2-71175.9-14.300112.9I324 E331 A332I324-Q328 HydrophobicContact CG2-CG 4.44Å; I324-Q328 WeakPolarHBondContact O-CG 3.36Å; I324-Q328 PolarHBondContact O-N 3.06Å; Q328-E331 PolarHBondContact O-N 3.16Å; Q328-A332 PolarHBondContact O-N 3.15Å
329S88.2Confident89.2Confident70 Ų70105.5 Ų105.549%0.4951%0.514SS..Hα-helixtrans-65.1-38.7175.3-63.90000112.5Q325 R326 E327 E331 A332 D333Q325-S329 PolarHBondContact O-N 3.1Å; Q325-S329 PolarHBondContact O-OG 3.39Å; Q325-S329 VanDerWaalsContact O-OG 3.11Å; R326-S329 PolarHBondContact O-N 3.24Å; E327-S329 VanDerWaalsContact C-N 3.34Å; E327-S329 PolarHBondContact O-N 3.06Å; S329-E331 VanDerWaalsContact C-N 3.32Å; S329-E331 PolarHBondContact O-N 3.36Å; S329-A332 PolarHBondContact O-N 3.48Å; S329-D333 PolarHBondContact O-N 3.13Å
330K85.1Confident88.6Confident160 Ų160110 Ų11070%0.69653%0.532SS*.Hα-helixtrans-68.8-29176.5-72.7176.3-180-1750113.5R326 E327 A332R326-K330 WeakPolarHBondContact O-CG 3.33Å; R326-K330 PolarHBondContact O-N 2.96Å; R326-K330 VanDerWaalsContact O-N 3.1Å; E327-K330 PolarHBondContact O-N 3.39Å; E327-K330 VanDerWaalsContact O-N 3.16Å; K330-A332 VanDerWaalsContact C-N 3.31Å
331E80.1Confident88Confident164 Ų164105.5 Ų105.577%0.76652%0.524SS*.Hα-helixtrans-77.6-19.1175.6-71.6178.6174.200112.8E327 Q328 S329E327-E331 WeakPolarHBondContact O-CG 3.49Å; E327-E331 PolarHBondContact O-N 3.01Å; Q328-E331 PolarHBondContact O-N 3.16Å; S329-E331 VanDerWaalsContact C-N 3.32Å; S329-E331 PolarHBondContact O-N 3.36Å
332A75.1Confident87.2Confident85 Ų85102.9 Ų102.970%0.70253%0.525SS*.Hα-helixtrans-91-15-179.700000114.1Q328 S329 K330Q328-A332 PolarHBondContact O-N 3.15Å; S329-A332 PolarHBondContact O-N 3.48Å; K330-A332 VanDerWaalsContact C-N 3.31Å
333D62.2Low86.5Confident199 Ų199111.9 Ų111.9100%1.06457%0.57SS**  trans-96.80177.8-71.2-23.3000111.9S329S329-D333 PolarHBondContact O-N 3.13Å

Retrieved 333 of 333 residues in 315.5 ms (Link to these results)

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