A0A3Q0KVC8_SCHMA Loading...

Protein ST7 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KVC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 501 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
1M47.7Very low67.8Low219 Ų219127.2 Ų127.2100%1.07964%0.643SS**  0-42.80-133.8171.9-170.300112.8L3M1-L3 PolarHBondContact O-N 3.18Å
2F51.6Low68.9Low182 Ų182125.5 Ų125.580%0.79864%0.644SS**G310 helixtrans-65.5-32.6-178.1-104.3-90000116.7N4 T5F2-N4 VanDerWaalsContact C-N 3.35Å; F2-N4 PolarHBondContact O-N 2.99Å; F2-T5 PolarHBondContact O-N 2.79Å; F2-T5 PolarHBondContact O-OG1 3.45Å
3L55.4Low70Confident130 Ų130120.2 Ų120.268%0.68163%0.63SS**G310 helixtrans-71.1-27.9-177.6-72.5167.7000113.3M1 T5 L6M1-L3 PolarHBondContact O-N 3.18Å; L3-T5 VanDerWaalsContact C-N 3.28Å; L3-T5 PolarHBondContact O-N 2.93Å; L3-L6 HydrophobicContact CD2-CD1 4.26Å
4N60.5Low71Confident159 Ų159117.5 Ų117.585%0.8562%0.616SS**G310 helixtrans-79-11.5-179-68.7-2.8000113.1F2F2-N4 VanDerWaalsContact C-N 3.35Å; F2-N4 PolarHBondContact O-N 2.99Å
5T63.9Low71.8Confident109 Ų109116 Ų11667%0.66961%0.614SS**G310 helixtrans-91.6-4.617827.80000113.9F2 L3 S7F2-T5 PolarHBondContact O-N 2.79Å; F2-T5 PolarHBondContact O-OG1 3.45Å; L3-T5 VanDerWaalsContact C-N 3.28Å; L3-T5 PolarHBondContact O-N 2.93Å; T5-S7 PolarHBondContact O-N 2.75Å
6L70.4Confident72.4Confident58 Ų58111.4 Ų111.430%0.30460%0.603SS.*  trans-84.7107.1-178.8-63.5174.8000110.1L3 F10 Y11L3-L6 HydrophobicContact CD2-CD1 4.26Å; L6-F10 HydrophobicContact CB-CD1 4.28Å; L6-F10 HydrophobicContact CD1-CD1 4.3Å; L6-F10 HydrophobicContact CD1-CE1 4.19Å; L6-F10 HydrophobicContact CD2-CD1 3.69Å; L6-F10 HydrophobicContact CD2-CD2 4.37Å; L6-F10 HydrophobicContact CD2-CE1 3.81Å; L6-F10 HydrophobicContact CD2-CE2 4.48Å; L6-F10 HydrophobicContact CD2-CG 3.97Å; L6-F10 HydrophobicContact CD2-CZ 4.21Å; L6-F10 HydrophobicContact CG-CD1 4.3Å; L6-Y11 HydrophobicContact CB-CE2 3.73Å
7S76.6Confident73.2Confident58 Ų58109.4 Ų109.441%0.40660%0.595SS.*  trans-66.7153.4175.776.90000111.3T5 K9 F10T5-S7 PolarHBondContact O-N 2.75Å; S7-K9 PolarHBondContact O-N 2.88Å; S7-K9 PolarHBondContact OG-N 3.22Å; S7-F10 VanDerWaalsContact O-CB 3.32Å; S7-F10 WeakPolarHBondContact O-CB 3.48Å; S7-F10 PolarHBondContact O-N 3.36Å
8P77.9Confident73.8Confident106 Ų106106.4 Ų106.469%0.68858%0.584SS**Hα-helixtrans-50.9-31.1172.8-2935.5000113.9F10 Y11 V12P8-F10 VanDerWaalsContact C-N 3.3Å; P8-F10 PolarHBondContact O-N 3.47Å; P8-Y11 PolarHBondContact O-N 2.84Å; P8-V12 WeakPolarHBondContact O-CG2 3.45Å; P8-V12 PolarHBondContact O-N 3.42Å; P8-V12 VanDerWaalsContact O-N 3.11Å
9K79.4Confident74.4Confident176 Ų176105.1 Ų105.177%0.76558%0.583SS**Hα-helixtrans-62.9-34.1176.2-63.9-176.6179.5179.30112.8S7 A13S7-K9 PolarHBondContact O-N 2.88Å; S7-K9 PolarHBondContact OG-N 3.22Å; K9-A13 WeakPolarHBondContact O-CB 3.47Å; K9-A13 PolarHBondContact O-N 3.47Å
10F81.9Confident75Confident96 Ų96105.5 Ų105.542%0.42158%0.583SS.*Hα-helixtrans-64.7-44.9176175.8-94.5000111.1L6 S7 P8 A13 L14L6-F10 HydrophobicContact CB-CD1 4.28Å; L6-F10 HydrophobicContact CD1-CD1 4.3Å; L6-F10 HydrophobicContact CD1-CE1 4.19Å; L6-F10 HydrophobicContact CD2-CD1 3.69Å; L6-F10 HydrophobicContact CD2-CD2 4.37Å; L6-F10 HydrophobicContact CD2-CE1 3.81Å; L6-F10 HydrophobicContact CD2-CE2 4.48Å; L6-F10 HydrophobicContact CD2-CG 3.97Å; L6-F10 HydrophobicContact CD2-CZ 4.21Å; L6-F10 HydrophobicContact CG-CD1 4.3Å; S7-F10 VanDerWaalsContact O-CB 3.32Å; S7-F10 WeakPolarHBondContact O-CB 3.48Å; S7-F10 PolarHBondContact O-N 3.36Å; P8-F10 VanDerWaalsContact C-N 3.3Å; P8-F10 PolarHBondContact O-N 3.47Å; F10-A13 PolarHBondContact O-N 3.13Å; F10-L14 HydrophobicContact CE1-CD2 4.19Å; F10-L14 VanDerWaalsContact O-CB 3.32Å; F10-L14 WeakPolarHBondContact O-CB 3.38Å; F10-L14 PolarHBondContact O-N 3.37Å
11Y81.1Confident75.5Confident106 Ų106105 Ų10542%0.41658%0.579SS.*Hα-helixtrans-63.7-43.5177.7-70.1-76.6000112L6 P8 A13 L14 T15L6-Y11 HydrophobicContact CB-CE2 3.73Å; P8-Y11 PolarHBondContact O-N 2.84Å; Y11-A13 PolarHBondContact O-N 3.3Å; Y11-L14 PolarHBondContact O-N 3.41Å; Y11-T15 WeakPolarHBondContact O-CB 3.49Å; Y11-T15 PolarHBondContact O-N 3.44Å; Y11-T15 PolarHBondContact O-OG1 2.97Å
12V80.5Confident77.3Confident107 Ų10798.2 Ų98.265%0.64855%0.553SS**Hα-helixtrans-60.8-44.8175.3174.80000111.3P8 G16P8-V12 WeakPolarHBondContact O-CG2 3.45Å; P8-V12 PolarHBondContact O-N 3.42Å; P8-V12 VanDerWaalsContact O-N 3.11Å; V12-G16 PolarHBondContact O-N 3.43Å
13A83.4Confident78.8Confident56 Ų5691 Ų9146%0.46353%0.53SS..Hα-helixtrans-62.2-47.7177.200000111.5K9 F10 Y11 T15 G16 T17K9-A13 WeakPolarHBondContact O-CB 3.47Å; K9-A13 PolarHBondContact O-N 3.47Å; F10-A13 PolarHBondContact O-N 3.13Å; Y11-A13 PolarHBondContact O-N 3.3Å; A13-T15 PolarHBondContact O-N 2.88Å; A13-G16 PolarHBondContact O-N 2.98Å; A13-T17 WeakPolarHBondContact O-CG2 3.48Å; A13-T17 PolarHBondContact O-N 3.49Å; A13-T17 PolarHBondContact O-OG1 2.88Å
14L83.5Confident80.3Confident83 Ų8390 Ų9044%0.43553%0.525SS..Hα-helixtrans-59.3-48178.3-176.269.2000111.6F10 Y11 T17 S18F10-L14 HydrophobicContact CE1-CD2 4.19Å; F10-L14 VanDerWaalsContact O-CB 3.32Å; F10-L14 WeakPolarHBondContact O-CB 3.38Å; F10-L14 PolarHBondContact O-N 3.37Å; Y11-L14 PolarHBondContact O-N 3.41Å; L14-T17 WeakPolarHBondContact CA-OG1 3.37Å; L14-T17 PolarHBondContact O-N 2.89Å; L14-T17 PolarHBondContact O-OG1 3.32Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.46Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.38Å
15T82.8Confident81.5Confident95 Ų9586.4 Ų86.458%0.58351%0.505SS*.Hα-helixtrans-63.3-42.9177.7-58.70000111.5Y11 A13 S19Y11-T15 WeakPolarHBondContact O-CB 3.49Å; Y11-T15 PolarHBondContact O-N 3.44Å; Y11-T15 PolarHBondContact O-OG1 2.97Å; A13-T15 PolarHBondContact O-N 2.88Å; T15-S19 VanDerWaalsContact O-CB 3.27Å; T15-S19 WeakPolarHBondContact O-CB 3.35Å; T15-S19 PolarHBondContact O-N 2.98Å
16G82.3Confident82.5Confident43 Ų4386.9 Ų86.944%0.44350%0.503SS..Hα-helixtrans-61.9-47.4176.900000112.5V12 A13 S19 L20V12-G16 PolarHBondContact O-N 3.43Å; A13-G16 PolarHBondContact O-N 2.98Å; G16-S19 PolarHBondContact O-N 3.47Å; G16-L20 PolarHBondContact O-N 2.97Å; G16-L20 VanDerWaalsContact O-N 3.09Å
17T85.4Confident83.2Confident76 Ų7689.3 Ų89.347%0.46652%0.515SS..Hα-helixtrans-65.8-43.3178.250.90000112.1A13 L14 S19 L20 I21A13-T17 WeakPolarHBondContact O-CG2 3.48Å; A13-T17 PolarHBondContact O-N 3.49Å; A13-T17 PolarHBondContact O-OG1 2.88Å; L14-T17 WeakPolarHBondContact CA-OG1 3.37Å; L14-T17 PolarHBondContact O-N 2.89Å; L14-T17 PolarHBondContact O-OG1 3.32Å; T17-S19 PolarHBondContact O-N 3.24Å; T17-L20 PolarHBondContact O-N 3.47Å; T17-I21 VanDerWaalsContact O-CG1 3.28Å; T17-I21 WeakPolarHBondContact O-CG1 3.35Å; T17-I21 PolarHBondContact O-N 3.46Å
18S83.9Confident83.5Confident57 Ų5790.6 Ų90.640%0.39951%0.513SS..Hα-helixtrans-64-42178.7-660000111.5L14 I21 S22L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.46Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.38Å; S18-I21 PolarHBondContact O-N 3.32Å; S18-S22 WeakPolarHBondContact O-CB 3.01Å; S18-S22 PolarHBondContact O-N 3.48Å; S18-S22 PolarHBondContact O-OG 2.99Å
19S85.9Confident83.7Confident80 Ų8086.8 Ų86.856%0.55949%0.486SS*.Hα-helixtrans-62.9-42.6177.1179.30000112.5T15 G16 T17 S22 G23T15-S19 VanDerWaalsContact O-CB 3.27Å; T15-S19 WeakPolarHBondContact O-CB 3.35Å; T15-S19 PolarHBondContact O-N 2.98Å; G16-S19 PolarHBondContact O-N 3.47Å; T17-S19 PolarHBondContact O-N 3.24Å; S19-S22 PolarHBondContact O-N 3.44Å; S19-G23 PolarHBondContact O-N 2.86Å
20L85.1Confident83.6Confident114 Ų11486.4 Ų86.460%0.59748%0.48SS*.Hα-helixtrans-63.1-45.4177-174.3150000111.4G16 T17 G23 L24G16-L20 PolarHBondContact O-N 2.97Å; G16-L20 VanDerWaalsContact O-N 3.09Å; T17-L20 PolarHBondContact O-N 3.47Å; L20-G23 PolarHBondContact O-N 3.17Å; L20-L24 HydrophobicContact CD2-CD1 3.69Å; L20-L24 HydrophobicContact CD2-CG 4.3Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.93Å
21I85.7Confident83.7Confident96 Ų9687.9 Ų87.949%0.49248%0.483SS..Hα-helixtrans-62-45.8177-67.2165.3000110.4T17 S18 G23 L24 I25T17-I21 VanDerWaalsContact O-CG1 3.28Å; T17-I21 WeakPolarHBondContact O-CG1 3.35Å; T17-I21 PolarHBondContact O-N 3.46Å; S18-I21 PolarHBondContact O-N 3.32Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.42Å; I21-L24 PolarHBondContact O-N 3.41Å; I21-I25 HydrophobicContact CG2-CD1 3.88Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 2.91Å
22S85.2Confident83.5Confident75 Ų7584.1 Ų84.152%0.52447%0.468SS..Hα-helixtrans-60-39.8175.7-63.40000112.6S18 S19 I25 L26S18-S22 WeakPolarHBondContact O-CB 3.01Å; S18-S22 PolarHBondContact O-N 3.48Å; S18-S22 PolarHBondContact O-OG 2.99Å; S19-S22 PolarHBondContact O-N 3.44Å; S22-I25 PolarHBondContact O-N 2.87Å; S22-L26 WeakPolarHBondContact O-CB 3.35Å; S22-L26 PolarHBondContact O-N 3.23Å
23G83.4Confident83.1Confident32 Ų3284.4 Ų84.433%0.3346%0.461SS..Hα-helixtrans-63.7-43.317600000113S19 L20 I21 L26 I27S19-G23 PolarHBondContact O-N 2.86Å; L20-G23 PolarHBondContact O-N 3.17Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.42Å; G23-L26 PolarHBondContact O-N 2.92Å; G23-I27 WeakPolarHBondContact O-CG1 3.39Å; G23-I27 PolarHBondContact O-N 2.9Å
24L88.3Confident82.5Confident109 Ų10989.5 Ų89.557%0.57147%0.473SS*.Hα-helixtrans-63.2-43.2175.8-71.8175.6000112.1L20 I21 L26 I27 F28L20-L24 HydrophobicContact CD2-CD1 3.69Å; L20-L24 HydrophobicContact CD2-CG 4.3Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.93Å; I21-L24 PolarHBondContact O-N 3.41Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 PolarHBondContact O-N 2.8Å; L24-I27 PolarHBondContact O-N 3.35Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 3.5Å
25I85.1Confident81.9Confident83 Ų8391.5 Ų91.543%0.42648%0.478SS..Hα-helixtrans-59.3-45.7175.4-68167.5000109.8I21 S22 I27 F28 E29 I41I21-I25 HydrophobicContact CG2-CD1 3.88Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 2.91Å; S22-I25 PolarHBondContact O-N 2.87Å; I25-I27 PolarHBondContact O-N 3.01Å; I25-F28 PolarHBondContact O-N 2.98Å; I25-E29 WeakPolarHBondContact O-CB 3.48Å; I25-E29 PolarHBondContact O-N 3.38Å; I25-I41 HydrophobicContact CG2-CD1 4.03Å
26L83.9Confident81.1Confident119 Ų11991.6 Ų91.662%0.62347%0.468SS*.Hα-helixtrans-63.3-42.2-179.6-164.7156.7000112.6S22 G23 L24 E29 W30S22-L26 WeakPolarHBondContact O-CB 3.35Å; S22-L26 PolarHBondContact O-N 3.23Å; G23-L26 PolarHBondContact O-N 2.92Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 PolarHBondContact O-N 2.8Å; L26-E29 WeakPolarHBondContact O-CB 3.39Å; L26-E29 PolarHBondContact O-N 2.88Å; L26-W30 VanDerWaalsContact O-CB 3.31Å; L26-W30 WeakPolarHBondContact O-CB 3.46Å; L26-W30 PolarHBondContact O-N 3.43Å
27I85.2Confident80.2Confident109 Ų10992.2 Ų92.256%0.55947%0.474SS*.Hα-helixtrans-62.8-45.4176.7-68.2167.4000110.7G23 L24 I25 W30 W31G23-I27 WeakPolarHBondContact O-CG1 3.39Å; G23-I27 PolarHBondContact O-N 2.9Å; L24-I27 PolarHBondContact O-N 3.35Å; I25-I27 PolarHBondContact O-N 3.01Å; I27-W30 PolarHBondContact O-N 3.46Å; I27-W31 WeakPolarHBondContact O-CB 3.36Å; I27-W31 PolarHBondContact O-N 2.87Å
28F84.6Confident79.1Confident85 Ų8592.5 Ų92.537%0.37347%0.469SS..Hα-helixtrans-63.5-44.9177177.7-100.4000111.6L24 I25 W30 W31 Y32 F40L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 3.5Å; I25-F28 PolarHBondContact O-N 2.98Å; F28-W30 VanDerWaalsContact C-N 3.35Å; F28-W30 PolarHBondContact O-N 2.89Å; F28-W31 HydrophobicContact CD2-CE3 4.25Å; F28-W31 HydrophobicContact CE2-CE3 4.12Å; F28-W31 AromaticContact CE2-CZ3 3.99Å; F28-W31 HydrophobicContact CE2-CZ3 3.99Å; F28-W31 PolarHBondContact O-N 3.29Å; F28-Y32 HydrophobicContact CE1-CD2 4.46Å; F28-Y32 HydrophobicContact CZ-CD2 4.18Å; F28-Y32 VanDerWaalsContact O-CB 3.28Å; F28-Y32 WeakPolarHBondContact O-CB 3.38Å; F28-Y32 PolarHBondContact O-N 2.88Å; F28-F40 HydrophobicContact CD1-CD1 4.06Å; F28-F40 HydrophobicContact CD1-CE1 4.35Å; F28-F40 HydrophobicContact CD1-CG 4.27Å; F28-F40 HydrophobicContact CE1-CB 4.07Å; F28-F40 AromaticContact CE1-CD1 3.58Å; F28-F40 HydrophobicContact CE1-CD1 3.58Å; F28-F40 AromaticContact CE1-CD2 3.68Å; F28-F40 HydrophobicContact CE1-CD2 3.68Å; F28-F40 AromaticContact CE1-CE1 3.73Å; F28-F40 HydrophobicContact CE1-CE1 3.73Å; F28-F40 AromaticContact CE1-CE2 3.85Å; F28-F40 HydrophobicContact CE1-CE2 3.85Å; F28-F40 AromaticContact CE1-CG 3.52Å; F28-F40 HydrophobicContact CE1-CG 3.52Å; F28-F40 AromaticContact CE1-CZ 3.84Å; F28-F40 HydrophobicContact CE1-CZ 3.84Å; F28-F40 HydrophobicContact CZ-CD2 4.21Å; F28-F40 HydrophobicContact CZ-CE2 4.2Å; F28-F40 HydrophobicContact CZ-CG 4.46Å; F28-F40 HydrophobicContact CZ-CZ 4.42Å
29E81.8Confident78.6Confident25 Ų2591.1 Ų91.112%0.11746%0.46CS..Hα-helixtrans-58-46.4177.1-169.864.7-149.600111.5I25 L26 Y32 F33 S39 F40 I41I25-E29 WeakPolarHBondContact O-CB 3.48Å; I25-E29 PolarHBondContact O-N 3.38Å; L26-E29 WeakPolarHBondContact O-CB 3.39Å; L26-E29 PolarHBondContact O-N 2.88Å; E29-Y32 PolarHBondContact O-N 3.31Å; E29-F33 VanDerWaalsContact O-CB 3.3Å; E29-F33 WeakPolarHBondContact O-CB 3.48Å; E29-F33 PolarHBondContact O-N 2.89Å; E29-S39 WeakPolarHBondContact OE1-CA 3.27Å; E29-S39 WeakPolarHBondContact OE1-CB 3.44Å; E29-S39 PolarHBondContact OE1-OG 2.83Å; E29-F40 PolarHBondContact OE1-N 2.86Å; E29-F40 WeakPolarHBondContact OE2-CB 3.38Å; E29-I41 HydrophobicContact CG-CD1 4.31Å; E29-I41 PolarHBondContact OE1-N 2.94Å; E29-I41 VanDerWaalsContact OE2-CG1 3.32Å; E29-I41 WeakPolarHBondContact OE2-CG1 3.46Å; E29-I41 PolarHBondContact OE2-N 2.88Å
30W75.9Confident78.1Confident168 Ų16890.4 Ų90.464%0.63645%0.446SS*.Hα-helixtrans-65.3-43.9178.2-178.662.5000112.2L26 I27 F28 K34L26-W30 VanDerWaalsContact O-CB 3.31Å; L26-W30 WeakPolarHBondContact O-CB 3.46Å; L26-W30 PolarHBondContact O-N 3.43Å; I27-W30 PolarHBondContact O-N 3.46Å; F28-W30 VanDerWaalsContact C-N 3.35Å; F28-W30 PolarHBondContact O-N 2.89Å; W30-K34 WeakPolarHBondContact O-CB 3.35Å; W30-K34 PolarHBondContact O-N 3.28Å
31W84.5Confident77.6Confident128 Ų12889.4 Ų89.449%0.48544%0.441SS..Hα-helixtrans-60.7-45.5174173.185000111.6I27 F28 K34 K35I27-W31 WeakPolarHBondContact O-CB 3.36Å; I27-W31 PolarHBondContact O-N 2.87Å; F28-W31 HydrophobicContact CD2-CE3 4.25Å; F28-W31 HydrophobicContact CE2-CE3 4.12Å; F28-W31 AromaticContact CE2-CZ3 3.99Å; F28-W31 HydrophobicContact CE2-CZ3 3.99Å; F28-W31 PolarHBondContact O-N 3.29Å; W31-K34 PolarHBondContact O-N 3.32Å; W31-K35 HydrophobicContact CH2-CD 4.17Å; W31-K35 HydrophobicContact CZ2-CD 3.89Å; W31-K35 WeakPolarHBondContact O-CB 3.43Å; W31-K35 PolarHBondContact O-N 3.36Å; W31-K35 VanDerWaalsContact O-N 3.14Å
32Y76.8Confident76.7Confident27 Ų2787.1 Ų87.111%0.10643%0.428CS..Hα-helixtrans-63.8-47.2179.9-166.1-87.7000111.2F28 E29 K34 K35 Y36 K38 F40 Q43F28-Y32 HydrophobicContact CE1-CD2 4.46Å; F28-Y32 HydrophobicContact CZ-CD2 4.18Å; F28-Y32 VanDerWaalsContact O-CB 3.28Å; F28-Y32 WeakPolarHBondContact O-CB 3.38Å; F28-Y32 PolarHBondContact O-N 2.88Å; E29-Y32 PolarHBondContact O-N 3.31Å; Y32-K34 PolarHBondContact O-N 3.31Å; Y32-K35 PolarHBondContact O-N 2.86Å; Y32-K35 VanDerWaalsContact O-N 3.16Å; Y32-Y36 AromaticContact CD1-CD2 3.86Å; Y32-Y36 HydrophobicContact CD1-CD2 3.86Å; Y32-Y36 AromaticContact CD2-CD2 3.58Å; Y32-Y36 HydrophobicContact CD2-CD2 3.58Å; Y32-Y36 AromaticContact CD2-CE2 3.65Å; Y32-Y36 HydrophobicContact CD2-CE2 3.65Å; Y32-Y36 AromaticContact CE1-CD2 3.74Å; Y32-Y36 HydrophobicContact CE1-CD2 3.74Å; Y32-Y36 HydrophobicContact CE1-CG 4.14Å; Y32-Y36 AromaticContact CE2-CD2 3.44Å; Y32-Y36 HydrophobicContact CE2-CD2 3.44Å; Y32-Y36 VanDerWaalsContact CE2-CD2 3.44Å; Y32-Y36 AromaticContact CE2-CE2 3.45Å; Y32-Y36 HydrophobicContact CE2-CE2 3.45Å; Y32-Y36 VanDerWaalsContact CE2-CE2 3.45Å; Y32-Y36 HydrophobicContact CE2-CG 4.38Å; Y32-Y36 AromaticContact CG-CD2 3.76Å; Y32-Y36 HydrophobicContact CG-CD2 3.76Å; Y32-Y36 HydrophobicContact CG-CE2 4.28Å; Y32-Y36 AromaticContact CZ-CD2 3.5Å; Y32-Y36 AromaticContact CZ-CE2 3.94Å; Y32-Y36 WeakPolarHBondContact O-CD2 3.38Å; Y32-Y36 PolarHBondContact O-N 2.87Å; Y32-K38 WeakPolarHBondContact CD1-O 3.36Å; Y32-K38 HydrophobicContact CE1-CG 4.12Å; Y32-F40 HydrophobicContact CD1-CB 3.64Å; Y32-F40 HydrophobicContact CD2-CB 4.28Å; Y32-F40 HydrophobicContact CD2-CD2 4.22Å; Y32-F40 HydrophobicContact CE1-CB 4.09Å; Y32-F40 HydrophobicContact CE2-CD2 4.09Å; Y32-F40 HydrophobicContact CG-CB 3.76Å; Y32-Q43 PolarHBondContact OH-OE1 2.91Å
33F73Confident76Confident113 Ų11386.7 Ų86.750%0.49642%0.418SS..Hα-helixtrans-59.6-44.9176.7-177.1-94.4000112.2E29 K35 G37 K38E29-F33 VanDerWaalsContact O-CB 3.3Å; E29-F33 WeakPolarHBondContact O-CB 3.48Å; E29-F33 PolarHBondContact O-N 2.89Å; F33-K35 PolarHBondContact O-N 3.15Å; F33-G37 WeakPolarHBondContact O-CA 3.3Å; F33-G37 PolarHBondContact O-N 3.5Å; F33-K38 WeakPolarHBondContact CA-O 3.44Å
34K70.3Confident75.3Confident162 Ų16288.5 Ų88.570%0.70442%0.419SS*.Hα-helixtrans-61.5-34178-172.9177.7179.5179.90112.3W30 W31 Y32W30-K34 WeakPolarHBondContact O-CB 3.35Å; W30-K34 PolarHBondContact O-N 3.28Å; W31-K34 PolarHBondContact O-N 3.32Å; Y32-K34 PolarHBondContact O-N 3.31Å
35K70.1Confident74.3Confident126 Ų12685 Ų8555%0.54840%0.404SS..Hα-helixtrans-84.3-43.3-176.7-171.1175178.3-1690113W31 Y32 F33W31-K35 HydrophobicContact CH2-CD 4.17Å; W31-K35 HydrophobicContact CZ2-CD 3.89Å; W31-K35 WeakPolarHBondContact O-CB 3.43Å; W31-K35 PolarHBondContact O-N 3.36Å; W31-K35 VanDerWaalsContact O-N 3.14Å; Y32-K35 PolarHBondContact O-N 2.86Å; Y32-K35 VanDerWaalsContact O-N 3.16Å; F33-K35 PolarHBondContact O-N 3.15Å
36Y66.9Low72.9Confident97 Ų9786.4 Ų86.438%0.3840%0.404SS..Hα-helixtrans-107.5-7.2-171.5-61.3-74.9000113.9Y32 K38Y32-Y36 AromaticContact CD1-CD2 3.86Å; Y32-Y36 HydrophobicContact CD1-CD2 3.86Å; Y32-Y36 AromaticContact CD2-CD2 3.58Å; Y32-Y36 HydrophobicContact CD2-CD2 3.58Å; Y32-Y36 AromaticContact CD2-CE2 3.65Å; Y32-Y36 HydrophobicContact CD2-CE2 3.65Å; Y32-Y36 AromaticContact CE1-CD2 3.74Å; Y32-Y36 HydrophobicContact CE1-CD2 3.74Å; Y32-Y36 HydrophobicContact CE1-CG 4.14Å; Y32-Y36 AromaticContact CE2-CD2 3.44Å; Y32-Y36 HydrophobicContact CE2-CD2 3.44Å; Y32-Y36 VanDerWaalsContact CE2-CD2 3.44Å; Y32-Y36 AromaticContact CE2-CE2 3.45Å; Y32-Y36 HydrophobicContact CE2-CE2 3.45Å; Y32-Y36 VanDerWaalsContact CE2-CE2 3.45Å; Y32-Y36 HydrophobicContact CE2-CG 4.38Å; Y32-Y36 AromaticContact CG-CD2 3.76Å; Y32-Y36 HydrophobicContact CG-CD2 3.76Å; Y32-Y36 HydrophobicContact CG-CE2 4.28Å; Y32-Y36 AromaticContact CZ-CD2 3.5Å; Y32-Y36 AromaticContact CZ-CE2 3.94Å; Y32-Y36 WeakPolarHBondContact O-CD2 3.38Å; Y32-Y36 PolarHBondContact O-N 2.87Å; Y36-K38 PolarHBondContact O-N 3.45Å
37G63.8Low72.1Confident55 Ų5584.8 Ų84.857%0.56740%0.399SS*.SBendtrans7010.1-177.600000114.7F33F33-G37 WeakPolarHBondContact O-CA 3.3Å; F33-G37 PolarHBondContact O-N 3.5Å
38K61.5Low71Confident83 Ų8385.9 Ų85.936%0.36140%0.401SS..SBendtrans-138.1151-178.959.2175.21741700110.9Y32 F33 Y36Y32-K38 WeakPolarHBondContact CD1-O 3.36Å; Y32-K38 HydrophobicContact CE1-CG 4.12Å; F33-K38 WeakPolarHBondContact CA-O 3.44Å; Y36-K38 PolarHBondContact O-N 3.45Å
39S72.7Confident69.8Low28 Ų2885.5 Ų85.520%0.19640%0.402CS..  trans-71.8138176156.80000110.2E29 I41 E42 Q43E29-S39 WeakPolarHBondContact OE1-CA 3.27Å; E29-S39 WeakPolarHBondContact OE1-CB 3.44Å; E29-S39 PolarHBondContact OE1-OG 2.83Å; S39-I41 PolarHBondContact OG-N 3.43Å; S39-E42 VanDerWaalsContact CB-CB 3.46Å; S39-E42 WeakPolarHBondContact OG-CB 3.35Å; S39-E42 PolarHBondContact OG-N 3.49Å; S39-Q43 PolarHBondContact O-N 3.3Å
40F76.5Confident68.5Low64 Ų6489.5 Ų89.528%0.28142%0.417SS..Hα-helixtrans-70.3-42.6173.8171.1-99.1000111F28 E29 Y32 E42 Q43 I44F28-F40 HydrophobicContact CD1-CD1 4.06Å; F28-F40 HydrophobicContact CD1-CE1 4.35Å; F28-F40 HydrophobicContact CD1-CG 4.27Å; F28-F40 HydrophobicContact CE1-CB 4.07Å; F28-F40 AromaticContact CE1-CD1 3.58Å; F28-F40 HydrophobicContact CE1-CD1 3.58Å; F28-F40 AromaticContact CE1-CD2 3.68Å; F28-F40 HydrophobicContact CE1-CD2 3.68Å; F28-F40 AromaticContact CE1-CE1 3.73Å; F28-F40 HydrophobicContact CE1-CE1 3.73Å; F28-F40 AromaticContact CE1-CE2 3.85Å; F28-F40 HydrophobicContact CE1-CE2 3.85Å; F28-F40 AromaticContact CE1-CG 3.52Å; F28-F40 HydrophobicContact CE1-CG 3.52Å; F28-F40 AromaticContact CE1-CZ 3.84Å; F28-F40 HydrophobicContact CE1-CZ 3.84Å; F28-F40 HydrophobicContact CZ-CD2 4.21Å; F28-F40 HydrophobicContact CZ-CE2 4.2Å; F28-F40 HydrophobicContact CZ-CG 4.46Å; F28-F40 HydrophobicContact CZ-CZ 4.42Å; E29-F40 PolarHBondContact OE1-N 2.86Å; E29-F40 WeakPolarHBondContact OE2-CB 3.38Å; Y32-F40 HydrophobicContact CD1-CB 3.64Å; Y32-F40 HydrophobicContact CD2-CB 4.28Å; Y32-F40 HydrophobicContact CD2-CD2 4.22Å; Y32-F40 HydrophobicContact CE1-CB 4.09Å; Y32-F40 HydrophobicContact CE2-CD2 4.09Å; Y32-F40 HydrophobicContact CG-CB 3.76Å; F40-E42 VanDerWaalsContact C-N 3.28Å; F40-E42 PolarHBondContact O-N 2.87Å; F40-Q43 PolarHBondContact O-N 2.88Å; F40-I44 HydrophobicContact CD1-CD1 3.95Å; F40-I44 HydrophobicContact CE1-CD1 3.24Å; F40-I44 HydrophobicContact CE1-CG1 4.18Å; F40-I44 HydrophobicContact CE2-CD1 3.94Å; F40-I44 HydrophobicContact CE2-CG1 4.32Å; F40-I44 HydrophobicContact CZ-CD1 3.25Å; F40-I44 HydrophobicContact CZ-CG1 4.1Å; F40-I44 PolarHBondContact O-N 3.04Å
41I74.9Confident67.4Low93 Ų9385.8 Ų85.848%0.47741%0.414SS..Hα-helixtrans-57-44.6171.3-69.4160.7000110.4I25 E29 S39 Q43 I44 S45I25-I41 HydrophobicContact CG2-CD1 4.03Å; E29-I41 HydrophobicContact CG-CD1 4.31Å; E29-I41 PolarHBondContact OE1-N 2.94Å; E29-I41 VanDerWaalsContact OE2-CG1 3.32Å; E29-I41 WeakPolarHBondContact OE2-CG1 3.46Å; E29-I41 PolarHBondContact OE2-N 2.88Å; S39-I41 PolarHBondContact OG-N 3.43Å; I41-Q43 PolarHBondContact O-N 2.73Å; I41-I44 PolarHBondContact O-N 3.27Å; I41-S45 VanDerWaalsContact O-CB 3.27Å; I41-S45 WeakPolarHBondContact O-CB 3.44Å; I41-S45 PolarHBondContact O-N 2.89Å; I41-S45 PolarHBondContact O-OG 3.47Å
42E67.1Low65.9Low49 Ų4986.9 Ų86.923%0.22943%0.429CS..Hα-helixtrans-57.1-51.6175.2-174.7-171.5170.800110S39 F40 I44 S45 W46 K432S39-E42 VanDerWaalsContact CB-CB 3.46Å; S39-E42 WeakPolarHBondContact OG-CB 3.35Å; S39-E42 PolarHBondContact OG-N 3.49Å; F40-E42 VanDerWaalsContact C-N 3.28Å; F40-E42 PolarHBondContact O-N 2.87Å; E42-I44 PolarHBondContact O-N 3.43Å; E42-S45 WeakPolarHBondContact CA-OG 3.49Å; E42-S45 PolarHBondContact O-N 2.95Å; E42-S45 VanDerWaalsContact O-N 3.09Å; E42-S45 PolarHBondContact O-OG 2.95Å; E42-W46 PolarHBondContact O-N 3.22Å; E42-W46 PolarHBondContact OE1-NE1 3.42Å; E42-K432 IonicContact OE1-NZ 3.73Å; E42-K432 PolarHBondContact OE1-NZ 2.97Å
43Q69.9Low64.5Low66 Ų6692.1 Ų92.131%0.30846%0.457SS..Hα-helixtrans-57.1-45.4178.3177.4170.6-22.200113.5Y32 S39 F40 I41 S45 W46 T47Y32-Q43 PolarHBondContact OH-OE1 2.91Å; S39-Q43 PolarHBondContact O-N 3.3Å; F40-Q43 PolarHBondContact O-N 2.88Å; I41-Q43 PolarHBondContact O-N 2.73Å; Q43-S45 VanDerWaalsContact C-N 3.34Å; Q43-W46 PolarHBondContact O-N 3.33Å; Q43-T47 PolarHBondContact O-N 3.11Å; Q43-T47 VanDerWaalsContact O-N 3.07Å; Q43-T47 PolarHBondContact O-OG1 2.88Å
44I69.6Low62.8Low69 Ų6988.6 Ų88.635%0.35445%0.453SS..Hα-helixtrans-64.3-41.7175.8-74-172.5000110.5F40 I41 E42 W46 T47 H48F40-I44 HydrophobicContact CD1-CD1 3.95Å; F40-I44 HydrophobicContact CE1-CD1 3.24Å; F40-I44 HydrophobicContact CE1-CG1 4.18Å; F40-I44 HydrophobicContact CE2-CD1 3.94Å; F40-I44 HydrophobicContact CE2-CG1 4.32Å; F40-I44 HydrophobicContact CZ-CD1 3.25Å; F40-I44 HydrophobicContact CZ-CG1 4.1Å; F40-I44 PolarHBondContact O-N 3.04Å; I41-I44 PolarHBondContact O-N 3.27Å; E42-I44 PolarHBondContact O-N 3.43Å; I44-W46 VanDerWaalsContact C-N 3.35Å; I44-W46 PolarHBondContact O-N 3.39Å; I44-T47 PolarHBondContact O-N 3.49Å; I44-T47 VanDerWaalsContact O-N 3.13Å; I44-H48 WeakPolarHBondContact O-CB 3.42Å; I44-H48 PolarHBondContact O-N 3.03Å
45S66.5Low61.3Low36 Ų3682.8 Ų82.825%0.25244%0.439SS..Iπ-helixtrans-62.3-41.6178.974.40000111.7I41 E42 Q43 T47 I49 Y50I41-S45 VanDerWaalsContact O-CB 3.27Å; I41-S45 WeakPolarHBondContact O-CB 3.44Å; I41-S45 PolarHBondContact O-N 2.89Å; I41-S45 PolarHBondContact O-OG 3.47Å; E42-S45 WeakPolarHBondContact CA-OG 3.49Å; E42-S45 PolarHBondContact O-N 2.95Å; E42-S45 VanDerWaalsContact O-N 3.09Å; E42-S45 PolarHBondContact O-OG 2.95Å; Q43-S45 VanDerWaalsContact C-N 3.34Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.34Å; S45-I49 CarbonylContact O-C 3.47Å; S45-I49 VanDerWaalsContact O-CA 3.3Å; S45-I49 WeakPolarHBondContact O-CA 3.3Å; S45-I49 VanDerWaalsContact O-CB 3.28Å; S45-I49 WeakPolarHBondContact O-CB 3.39Å; S45-I49 PolarHBondContact O-N 3.41Å; S45-Y50 PolarHBondContact O-N 3.46Å
46W56.6Low59.7Low113 Ų11381.7 Ų81.743%0.42845%0.448SS..Iπ-helixtrans-64.4-36173-74.6107.4000112.7E42 Q43 I44 Y50E42-W46 PolarHBondContact O-N 3.22Å; E42-W46 PolarHBondContact OE1-NE1 3.42Å; Q43-W46 PolarHBondContact O-N 3.33Å; I44-W46 VanDerWaalsContact C-N 3.35Å; I44-W46 PolarHBondContact O-N 3.39Å; W46-Y50 HydrophobicContact CE3-CD1 4.29Å; W46-Y50 AromaticContact CE3-CD2 3.62Å; W46-Y50 HydrophobicContact CE3-CD2 3.62Å; W46-Y50 HydrophobicContact CE3-CE2 4.02Å; W46-Y50 AromaticContact CE3-CG 3.77Å; W46-Y50 HydrophobicContact CE3-CG 3.77Å; W46-Y50 HydrophobicContact CH2-CD2 4.35Å; W46-Y50 HydrophobicContact CH2-CE2 4.14Å; W46-Y50 HydrophobicContact CZ3-CD1 4.43Å; W46-Y50 AromaticContact CZ3-CD2 3.46Å; W46-Y50 HydrophobicContact CZ3-CD2 3.46Å; W46-Y50 VanDerWaalsContact CZ3-CD2 3.46Å; W46-Y50 HydrophobicContact CZ3-CE1 4.37Å; W46-Y50 AromaticContact CZ3-CE2 3.38Å; W46-Y50 HydrophobicContact CZ3-CE2 3.38Å; W46-Y50 HydrophobicContact CZ3-CG 4.01Å; W46-Y50 AromaticContact CZ3-CZ 3.87Å; W46-Y50 WeakPolarHBondContact O-CB 3.42Å
47T65.7Low58.4Low84 Ų8484 Ų8452%0.51547%0.466SS..Iπ-helixtrans-80.1-35.5-175.5-47.20000112.5Q43 I44 S45Q43-T47 PolarHBondContact O-N 3.11Å; Q43-T47 VanDerWaalsContact O-N 3.07Å; Q43-T47 PolarHBondContact O-OG1 2.88Å; I44-T47 PolarHBondContact O-N 3.49Å; I44-T47 VanDerWaalsContact O-N 3.13Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.34Å
48H62.8Low57.1Low132 Ų13289 Ų8961%0.61148%0.475SS*.Iπ-helixtrans-118.7-28.6-169.9-65.5-67.5000114.8I44I44-H48 WeakPolarHBondContact O-CB 3.42Å; I44-H48 PolarHBondContact O-N 3.03Å
49I58.4Low55.8Low77 Ų7792 Ų9240%0.39550%0.495SS..Iπ-helixtrans-100.3-37.1-175-55.7177.4000111.1S45 L52 I53S45-I49 CarbonylContact O-C 3.47Å; S45-I49 VanDerWaalsContact O-CA 3.3Å; S45-I49 WeakPolarHBondContact O-CA 3.3Å; S45-I49 VanDerWaalsContact O-CB 3.28Å; S45-I49 WeakPolarHBondContact O-CB 3.39Å; S45-I49 PolarHBondContact O-N 3.41Å; I49-L52 CarbonylContact O-C 3.56Å; I49-L52 WeakPolarHBondContact O-CA 3.18Å; I49-L52 WeakPolarHBondContact O-CB 3.48Å; I49-L52 PolarHBondContact O-N 3.31Å; I49-I53 HydrophobicContact CG2-CD1 3.27Å; I49-I53 HydrophobicContact CG2-CG1 3.71Å; I49-I53 PolarHBondContact O-N 3.01Å
50Y54.7Low53.7Low110 Ų11097.2 Ų97.243%0.43152%0.521SS..Hα-helixtrans-57.4-44.4178.2-171.5-95.7000112.5S45 W46 L52 I53 G54S45-Y50 PolarHBondContact O-N 3.46Å; W46-Y50 HydrophobicContact CE3-CD1 4.29Å; W46-Y50 AromaticContact CE3-CD2 3.62Å; W46-Y50 HydrophobicContact CE3-CD2 3.62Å; W46-Y50 HydrophobicContact CE3-CE2 4.02Å; W46-Y50 AromaticContact CE3-CG 3.77Å; W46-Y50 HydrophobicContact CE3-CG 3.77Å; W46-Y50 HydrophobicContact CH2-CD2 4.35Å; W46-Y50 HydrophobicContact CH2-CE2 4.14Å; W46-Y50 HydrophobicContact CZ3-CD1 4.43Å; W46-Y50 AromaticContact CZ3-CD2 3.46Å; W46-Y50 HydrophobicContact CZ3-CD2 3.46Å; W46-Y50 VanDerWaalsContact CZ3-CD2 3.46Å; W46-Y50 HydrophobicContact CZ3-CE1 4.37Å; W46-Y50 AromaticContact CZ3-CE2 3.38Å; W46-Y50 HydrophobicContact CZ3-CE2 3.38Å; W46-Y50 HydrophobicContact CZ3-CG 4.01Å; W46-Y50 AromaticContact CZ3-CZ 3.87Å; W46-Y50 WeakPolarHBondContact O-CB 3.42Å; Y50-L52 PolarHBondContact O-N 3.39Å; Y50-L52 VanDerWaalsContact O-N 3.14Å; Y50-I53 PolarHBondContact O-N 3.37Å; Y50-G54 PolarHBondContact O-N 3.21Å
51P54.1Low51.3Low89 Ų89104 Ų10458%0.57855%0.553SS**Hα-helixtrans-62.1-21.3172.5-21.433.9000114.2
52L51.4Low49.1Very low151 Ų151104.3 Ų104.379%0.79156%0.563SS**Hα-helixtrans-92.8-29.5-177.2-167.472.5000113.1I49 Y50I49-L52 CarbonylContact O-C 3.56Å; I49-L52 WeakPolarHBondContact O-CA 3.18Å; I49-L52 WeakPolarHBondContact O-CB 3.48Å; I49-L52 PolarHBondContact O-N 3.31Å; Y50-L52 PolarHBondContact O-N 3.39Å; Y50-L52 VanDerWaalsContact O-N 3.14Å
53I48.6Very low47.2Very low137 Ų137110.4 Ų110.470%0.70360%0.597SS**Hα-helixtrans-96.7-23.4-173.9-66.3-173.2000113I49 Y50I49-I53 HydrophobicContact CG2-CD1 3.27Å; I49-I53 HydrophobicContact CG2-CG1 3.71Å; I49-I53 PolarHBondContact O-N 3.01Å; Y50-I53 PolarHBondContact O-N 3.37Å
54G37Very low45.4Very low40 Ų40112.1 Ų112.141%0.41262%0.616SS.*SBendtrans174.3120.3174.100000114Y50Y50-G54 PolarHBondContact O-N 3.21Å
55G38.9Very low43.7Very low40 Ų40115.2 Ų115.241%0.41264%0.638SS.*  trans100.575.2155.700000114.5D57G55-D57 PolarHBondContact O-N 2.77Å; G55-D57 VanDerWaalsContact O-N 3.13Å
56S37Very low41.8Very low103 Ų103120.3 Ų120.372%0.7266%0.662SS**  -61.693.3126.551.50000105.7E58S56-E58 PolarHBondContact O-N 2.91Å
57D39Very low40.7Very low144 Ų144120.8 Ų120.877%0.7768%0.683SS**  trans-67.676.9170.1-78.4-15000107.5G55G55-D57 PolarHBondContact O-N 2.77Å; G55-D57 VanDerWaalsContact O-N 3.13Å
58E37.3Very low38.8Very low162 Ų162125.2 Ų125.276%0.75770%0.704SS**  trans-75.1139.2148.1-68.7-175.6165.500106.1S56S56-E58 PolarHBondContact O-N 2.91Å
59D33.1Very low37.1Very low145 Ų145121.3 Ų121.378%0.77570%0.699SS**  trans87.479.2177.2-46.4-26000116.5
60N29Very low35.7Very low138 Ų138123.5 Ų123.574%0.73872%0.718SS**  trans-15191130.5-88.2-55.7000109.5C62N60-C62 PolarHBondContact O-N 2.97Å
61E26.1Very low34.9Very low205 Ų205126.7 Ų126.796%0.95874%0.742SS**  trans-58.399.6156.5-87.3178.2147.700108.5
62C28.5Very low34Very low101 Ų101127.1 Ų127.168%0.68275%0.753SS**  trans-132.1105.8154.956.20000108.5N60 S64N60-C62 PolarHBondContact O-N 2.97Å; C62-S64 PolarHBondContact O-N 3.32Å
63D26.8Very low33.3Very low177 Ų177124.7 Ų124.795%0.94775%0.748SS**  trans-50.598.5173-81.8-38.2000111.1
64S32.6Very low33Very low102 Ų102124 Ų12471%0.71375%0.751SS**  trans-12892.1159.167.70000109.4C62C62-S64 PolarHBondContact O-N 3.32Å
65V32.8Very low33.7Very low134 Ų134127.8 Ų127.881%0.81276%0.758SS**  trans1.7115.4154.1-1480000116.2
66D28.6Very low34.7Very low142 Ų142134 Ų13476%0.75978%0.776SS**  trans56.784.1159.6-66.8-23.8000119.7
67S32.3Very low36.7Very low123 Ų123130.1 Ų130.186%0.8675%0.748SS**  trans-157.279.7132.8-79.30000110.1G69S67-G69 PolarHBondContact O-N 3.47Å
68N25.6Very low39.1Very low178 Ų178129.5 Ų129.595%0.95274%0.739SS**  trans-64.797.4168.6-88.8-22.8000110.4
69G27.5Very low41.8Very low50 Ų50123.2 Ų123.252%0.51571%0.711SS.*SBendtrans-161.9130.1162.300000108.5S67 L71S67-G69 PolarHBondContact O-N 3.47Å; G69-L71 PolarHBondContact O-N 3Å
70P29.3Very low44.7Very low122 Ų122120.3 Ų120.379%0.79269%0.69SS**  trans-56.3124.5-171.621-30.8000111.1A72P70-A72 PolarHBondContact O-N 2.88Å; P70-A72 VanDerWaalsContact O-N 3.08Å
71L38.2Very low47.8Very low178 Ų178114.9 Ų114.993%0.93266%0.659SS**THydrogen-bonded Turntrans-53.6109.4173.7-78.8103.9000109.4G69G69-L71 PolarHBondContact O-N 3Å
72A34.3Very low51.2Low97 Ų97105.1 Ų105.180%0.80261%0.613SS**THydrogen-bonded Turntrans148.63.9164.300000112.6P70 T74P70-A72 PolarHBondContact O-N 2.88Å; P70-A72 VanDerWaalsContact O-N 3.08Å; A72-T74 PolarHBondContact O-N 3.35Å
73S37.5Very low54.4Low100 Ų100100.4 Ų100.470%0.69958%0.581SS**SBendtrans-68.1119.1166.665.40000108.5Q75S73-Q75 VanDerWaalsContact C-N 3.26Å; S73-Q75 PolarHBondContact O-N 2.77Å
74T42.3Very low57.7Low123 Ų12392.1 Ų92.176%0.75554%0.537SS*.  trans-46.192.9166.8-44.50000108.1A72 E76A72-T74 PolarHBondContact O-N 3.35Å; T74-E76 VanDerWaalsContact C-N 3.26Å; T74-E76 PolarHBondContact O-N 3.47Å
75Q51.7Low60.8Low120 Ų12087.6 Ų87.656%0.56151%0.505SS*.  trans-69.295179.6-152.8178.413.900105.5S73 C77S73-Q75 VanDerWaalsContact C-N 3.26Å; S73-Q75 PolarHBondContact O-N 2.77Å; Q75-C77 PolarHBondContact O-N 3.41Å
76E59.3Low63.9Low170 Ų17081.3 Ų81.379%0.79447%0.467SS*.  trans-54.7131.6-176.9-73.4-174.5162.200108.9T74 K78T74-E76 VanDerWaalsContact C-N 3.26Å; T74-E76 PolarHBondContact O-N 3.47Å; E76-K78 VanDerWaalsContact C-N 3.33Å; E76-K78 PolarHBondContact O-N 2.88Å
77C79.6Confident67.2Low21 Ų2174.5 Ų74.514%0.14243%0.431CS..  trans-62.994.3175.9-77.50000109.5Q75 V79 L356 P409 S411 T415Q75-C77 PolarHBondContact O-N 3.41Å; C77-V79 PolarHBondContact O-N 2.97Å; C77-L356 HydrophobicContact CB-CD1 3.67Å; C77-L356 HydrophobicContact CB-CD2 4.41Å; C77-P409 VanDerWaalsContact SG-CB 3.53Å; C77-S411 PolarHBondContact SG-OG 3.15Å; C77-T415 HydrophobicContact CB-CG2 3.96Å; C77-T415 WeakPolarHBondContact CB-OG1 3.35Å
78K89Confident70.3Confident131 Ų13169.6 Ų69.657%0.5739%0.393SS*.  trans-66.8118.8175.6-175.7173.4176.1-176.90110E76 W80E76-K78 VanDerWaalsContact C-N 3.33Å; E76-K78 PolarHBondContact O-N 2.88Å; K78-W80 HydrophobicContact CD-CH2 4.07Å; K78-W80 HydrophobicContact CD-CZ2 3.52Å; K78-W80 HydrophobicContact CG-CZ2 4.21Å; K78-W80 VanDerWaalsContact NZ-CH2 3.27Å; K78-W80 PolarHBondContact O-NE1 3.39Å
79V93Very high73.7Confident30 Ų3061.5 Ų61.518%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-83.9141172.5178.60000109.5C77 L111 H354 T415 L419C77-V79 PolarHBondContact O-N 2.97Å; V79-L111 HydrophobicContact CB-CD1 4.34Å; V79-L111 HydrophobicContact CG1-CD1 3.64Å; V79-H354 HydrophobicContact CG1-CB 3.44Å; V79-H354 VanDerWaalsContact CG1-CB 3.44Å; V79-T415 HydrophobicContact CG2-CG2 3.58Å; V79-L419 HydrophobicContact CG1-CD1 4.1Å; V79-L419 HydrophobicContact CG1-CD2 4.07Å; V79-L419 HydrophobicContact CG2-CD1 4.24Å
80W94Very high77.1Confident84 Ų8459.5 Ų59.532%0.31833%0.33SS..EExtended strand (participates in β ladder)trans-124.1146.7-177.9-60.181.1000110.2K78 N82 H354 I355 K357K78-W80 HydrophobicContact CD-CH2 4.07Å; K78-W80 HydrophobicContact CD-CZ2 3.52Å; K78-W80 HydrophobicContact CG-CZ2 4.21Å; K78-W80 VanDerWaalsContact NZ-CH2 3.27Å; K78-W80 PolarHBondContact O-NE1 3.39Å; W80-N82 PolarHBondContact O-N 3.26Å; W80-H354 CarbonylContact O-C 3.54Å; W80-H354 VanDerWaalsContact O-CA 3.23Å; W80-H354 WeakPolarHBondContact O-CA 3.29Å; W80-H354 WeakPolarHBondContact O-CB 3.47Å; W80-I355 HydrophobicContact CB-CG1 4.4Å; W80-I355 PolarHBondContact N-O 3.25Å; W80-I355 PolarHBondContact O-N 3.35Å; W80-K357 HydrophobicContact CG-CG 4.4Å
81R94.9Very high80.3Confident24 Ų2455.7 Ų55.79%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-61.3132.1171.1-163.4176.5-166.11675.5110.8P83 D115 H116 F119 F219R81-P83 WeakPolarHBondContact O-CD 3.48Å; R81-D115 WeakPolarHBondContact CD-OD2 3.33Å; R81-D115 IonicContact NE-OD2 3.57Å; R81-H116 PolarHBondContact NH2-NE2 3.46Å; R81-F119 VanDerWaalsContact NH1-CE2 3.32Å; R81-F219 VanDerWaalsContact NH2-CE2 3.35Å
82N97.3Very high83.2Confident1 Ų147.5 Ų47.51%0.00526%0.259CS..  trans-69.6118.4177.9-178.52.8000109.9W80 Y84 S85 T352 E353 I355W80-N82 PolarHBondContact O-N 3.26Å; N82-Y84 PolarHBondContact O-N 2.73Å; N82-Y84 VanDerWaalsContact O-N 3.13Å; N82-Y84 WeakPolarHBondContact OD1-CA 3.39Å; N82-Y84 WeakPolarHBondContact OD1-CB 3.47Å; N82-Y84 PolarHBondContact OD1-N 2.9Å; N82-S85 WeakPolarHBondContact O-CB 3.47Å; N82-S85 PolarHBondContact O-N 2.93Å; N82-S85 VanDerWaalsContact O-N 3.17Å; N82-T352 WeakPolarHBondContact CB-O 3.46Å; N82-T352 PolarHBondContact ND2-O 2.93Å; N82-E353 WeakPolarHBondContact CB-O 3.36Å; N82-E353 PolarHBondContact N-O 2.63Å; N82-I355 HydrophobicContact CB-CG1 4.47Å; N82-I355 HydrophobicContact CB-CG2 3.72Å
83P95.9Very high86.1Confident1 Ų146.7 Ų46.71%0.00624%0.235CC..THydrogen-bonded Turntrans-60.3-23.317520.8-28.3000112.4R81 R222 N255 E258 N259R81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-R222 VanDerWaalsContact C-NH2 3.3Å; P83-R222 VanDerWaalsContact CA-NH2 3.34Å; P83-R222 PolarHBondContact O-NH2 3.32Å; P83-N255 HydrophobicContact CB-CB 4.06Å; P83-N255 HydrophobicContact CG-CB 4.32Å; P83-E258 HydrophobicContact CB-CB 4.14Å; P83-E258 HydrophobicContact CG-CB 3.99Å; P83-E258 HydrophobicContact CG-CG 4.35Å; P83-E258 WeakPolarHBondContact CG-OE2 3.35Å; P83-N259 PolarHBondContact O-ND2 2.91Å; P83-N259 PolarHBondContact O-OD1 2.88Å
84Y96.8Very high88.9Confident4 Ų446.9 Ų46.92%0.01622%0.223CC..THydrogen-bonded Turntrans-101.917-179.5-55.9-76.3000114.5N82 L86 E258 E262 T290 F369 H370N82-Y84 PolarHBondContact O-N 2.73Å; N82-Y84 VanDerWaalsContact O-N 3.13Å; N82-Y84 WeakPolarHBondContact OD1-CA 3.39Å; N82-Y84 WeakPolarHBondContact OD1-CB 3.47Å; N82-Y84 PolarHBondContact OD1-N 2.9Å; Y84-L86 PolarHBondContact O-N 3.29Å; Y84-E258 HydrophobicContact CE2-CB 4.32Å; Y84-E258 VanDerWaalsContact OH-C 3.31Å; Y84-E258 PolarHBondContact OH-O 2.81Å; Y84-E262 HydrophobicContact CE1-CB 3.79Å; Y84-E262 HydrophobicContact CE1-CG 4.07Å; Y84-T290 WeakPolarHBondContact CE2-OG1 3.35Å; Y84-T290 VanDerWaalsContact OH-CG2 3.3Å; Y84-T290 WeakPolarHBondContact OH-CG2 3.47Å; Y84-T290 PolarHBondContact OH-OG1 2.92Å; Y84-F369 HydrophobicContact CD1-CB 4.29Å; Y84-F369 HydrophobicContact CD1-CD1 4.12Å; Y84-F369 HydrophobicContact CD1-CD2 4.01Å; Y84-F369 HydrophobicContact CD1-CE1 4.47Å; Y84-F369 HydrophobicContact CD1-CE2 4.41Å; Y84-F369 AromaticContact CD1-CG 3.87Å; Y84-F369 HydrophobicContact CD1-CG 3.87Å; Y84-F369 HydrophobicContact CE1-CB 4.5Å; Y84-F369 AromaticContact CG-CD2 3.86Å; Y84-F369 HydrophobicContact CG-CD2 3.86Å; Y84-F369 HydrophobicContact CG-CE2 4.18Å; Y84-F369 HydrophobicContact CG-CG 4.18Å; Y84-F369 WeakPolarHBondContact O-CE2 3.32Å; Y84-H370 AromaticContact CZ-CE1 3.61Å; Y84-H370 PolarHBondContact OH-CE1 3.04Å; Y84-H370 VanDerWaalsContact OH-CE1 3.26Å
85S97Very high91.5Very high6 Ų643.4 Ų43.44%0.04220%0.198CC..PPolyproline II helixtrans-52.6132.2178.568.30000111.6N82 R223 M226N82-S85 WeakPolarHBondContact O-CB 3.47Å; N82-S85 PolarHBondContact O-N 2.93Å; N82-S85 VanDerWaalsContact O-N 3.17Å; S85-R223 PolarHBondContact O-NH1 3.21Å; S85-M226 WeakPolarHBondContact O-CE 3.11Å
86L98.2Very high93.7Very high2 Ų241.3 Ų41.31%0.0119%0.187CC..PPolyproline II helixtrans-74.1172.6-179.4-52.9-173.8000111.7Y84 E91 Y92 R223 L350 P351 F368 F369Y84-L86 PolarHBondContact O-N 3.29Å; L86-E91 WeakPolarHBondContact CA-OE2 3.42Å; L86-E91 HydrophobicContact CB-CB 3.86Å; L86-E91 HydrophobicContact CB-CG 4.35Å; L86-E91 WeakPolarHBondContact CB-OE2 3.35Å; L86-E91 HydrophobicContact CD1-CB 4.1Å; L86-Y92 HydrophobicContact CB-CD1 4.32Å; L86-Y92 HydrophobicContact CB-CD2 4.31Å; L86-Y92 HydrophobicContact CB-CE1 3.77Å; L86-Y92 HydrophobicContact CB-CE2 3.79Å; L86-Y92 VanDerWaalsContact CB-CZ 3.48Å; L86-Y92 HydrophobicContact CD1-CD1 4.22Å; L86-Y92 HydrophobicContact CD1-CE1 3.73Å; L86-Y92 HydrophobicContact CG-CE1 3.86Å; L86-Y92 PolarHBondContact N-OH 2.88Å; L86-Y92 VanDerWaalsContact N-OH 3.09Å; L86-R223 PolarHBondContact O-NH2 2.85Å; L86-R223 VanDerWaalsContact O-NH2 3.07Å; L86-L350 HydrophobicContact CD1-CB 4.25Å; L86-L350 HydrophobicContact CD1-CD1 4.28Å; L86-L350 HydrophobicContact CD1-CD2 3.93Å; L86-L350 HydrophobicContact CD1-CG 4.39Å; L86-P351 HydrophobicContact CD1-CG 4.38Å; L86-P351 HydrophobicContact CD2-CG 4.35Å; L86-P351 HydrophobicContact CG-CG 4.14Å; L86-F368 HydrophobicContact CD2-CE1 4.37Å; L86-F369 HydrophobicContact CD2-CE2 4.05Å; L86-F369 HydrophobicContact CD2-CZ 3.6Å
87F98.3Very high95.4Very high0 Ų039.2 Ų39.20%018%0.177CC..PPolyproline II helixtrans-83.5125.1172.1-64.9-79.8000109.9G89 A90 E91 Y92 E169 I175 V178 Y182 R223 M226 C227 K230F87-G89 PolarHBondContact O-N 2.91Å; F87-A90 HydrophobicContact CB-CB 4.14Å; F87-E91 WeakPolarHBondContact CD2-OE2 3.48Å; F87-E91 PolarHBondContact N-OE2 2.71Å; F87-E91 WeakPolarHBondContact O-CA 3.47Å; F87-E91 WeakPolarHBondContact O-CB 3.35Å; F87-E91 PolarHBondContact O-N 3.46Å; F87-Y92 PolarHBondContact O-N 3.22Å; F87-E169 WeakPolarHBondContact CD1-OE2 3.25Å; F87-I175 HydrophobicContact CB-CD1 4.48Å; F87-I175 HydrophobicContact CD2-CD1 3.46Å; F87-I175 VanDerWaalsContact CD2-CD1 3.46Å; F87-I175 HydrophobicContact CE2-CD1 4.03Å; F87-I175 HydrophobicContact CG-CD1 4.22Å; F87-V178 HydrophobicContact CD1-CG1 3.5Å; F87-V178 VanDerWaalsContact CD1-CG1 3.5Å; F87-V178 HydrophobicContact CD1-CG2 4.45Å; F87-V178 HydrophobicContact CE1-CG1 3.48Å; F87-V178 VanDerWaalsContact CE1-CG1 3.48Å; F87-V178 HydrophobicContact CG-CG1 4.13Å; F87-V178 HydrophobicContact CG-CG2 4.43Å; F87-V178 HydrophobicContact CZ-CG1 4.07Å; F87-Y182 HydrophobicContact CD1-CE2 4.42Å; F87-Y182 AromaticContact CE1-CE2 3.78Å; F87-Y182 HydrophobicContact CE1-CE2 3.78Å; F87-R223 HydrophobicContact CE1-CB 4.31Å; F87-M226 HydrophobicContact CE2-CB 4.43Å; F87-M226 HydrophobicContact CZ-CB 4.13Å; F87-C227 WeakPolarHBondContact CZ-SG 3.44Å; F87-K230 HydrophobicContact CD2-CD 4.13Å; F87-K230 HydrophobicContact CE2-CD 3.91Å
88R97Very high96.2Very high20 Ų2044.8 Ų44.88%0.07520%0.201CC..Iπ-helixtrans-57-51.7-173.8-74178.1179.2178.5-4.3113.1Y92 R93 S112 E169 E170 E353R88-Y92 HydrophobicContact CB-CD2 4.44Å; R88-Y92 HydrophobicContact CG-CD2 4.02Å; R88-Y92 PolarHBondContact O-N 3Å; R88-R93 WeakPolarHBondContact O-CB 3.28Å; R88-R93 PolarHBondContact O-N 3.35Å; R88-S112 PolarHBondContact NH2-OG 2.98Å; R88-E169 CarbonylContact C-O 3.31Å; R88-E169 WeakPolarHBondContact CA-O 3.49Å; R88-E169 WeakPolarHBondContact CB-O 3.3Å; R88-E169 PolarHBondContact N-O 3.21Å; R88-E169 VanDerWaalsContact N-O 3.09Å; R88-E170 HydrophobicContact CB-CG 4.14Å; R88-E170 IonicContact CZ-OE1 2.68Å; R88-E170 IonicContact NH1-OE1 3.88Å; R88-E170 PolarHBondContact NH1-OE1 2.83Å; R88-E353 WeakPolarHBondContact CD-OE1 3.36Å; R88-E353 WeakPolarHBondContact CG-OE1 3.5Å; R88-E353 IonicContact CZ-OE1 3.27Å; R88-E353 IonicContact CZ-OE2 2.7Å; R88-E353 IonicContact NE-OE1 2.63Å; R88-E353 PolarHBondContact NE-OE1 2.92Å; R88-E353 IonicContact NE-OE2 3.45Å; R88-E353 PolarHBondContact NE-OE2 3.49Å; R88-E353 IonicContact NH2-OE1 3.68Å; R88-E353 IonicContact NH2-OE2 3.88Å; R88-E353 PolarHBondContact NH2-OE2 3.43Å
89G97.2Very high96.6Very high7 Ų741.5 Ų41.57%0.07219%0.192CC..Iπ-helixtrans-66.6-55.8179.200000111.8F87 E91 E169 E170 C172F87-G89 PolarHBondContact O-N 2.91Å; G89-E91 VanDerWaalsContact C-N 3.32Å; G89-E91 PolarHBondContact O-N 2.98Å; G89-E169 PolarHBondContact N-O 3.49Å; G89-E170 VanDerWaalsContact CA-O 3.31Å; G89-E170 WeakPolarHBondContact CA-O 3.44Å; G89-C172 CarbonylContact C-O 3.23Å; G89-C172 WeakPolarHBondContact CA-O 3.29Å
90A97.9Very high96.7Very high9 Ų942.9 Ų42.97%0.07421%0.212CC..Iπ-helixtrans-73.9-19.6-169.300000114.6F87 C172 S173 I175 V178F87-A90 HydrophobicContact CB-CB 4.14Å; A90-C172 WeakPolarHBondContact CA-O 3.42Å; A90-C172 PolarHBondContact N-O 3.13Å; A90-S173 WeakPolarHBondContact CA-O 3.31Å; A90-I175 HydrophobicContact CB-CD1 3.86Å; A90-V178 HydrophobicContact CB-CG2 4.06Å
91E98Very high96.8Very high41 Ų4145.7 Ų45.719%0.19222%0.222CC..Iπ-helixtrans-128.4-63.2-172.3-55.6-17795.800112.4L86 F87 G89 R93 K94 F95 I175 K230L86-E91 WeakPolarHBondContact CA-OE2 3.42Å; L86-E91 HydrophobicContact CB-CB 3.86Å; L86-E91 HydrophobicContact CB-CG 4.35Å; L86-E91 WeakPolarHBondContact CB-OE2 3.35Å; L86-E91 HydrophobicContact CD1-CB 4.1Å; F87-E91 WeakPolarHBondContact CD2-OE2 3.48Å; F87-E91 PolarHBondContact N-OE2 2.71Å; F87-E91 WeakPolarHBondContact O-CA 3.47Å; F87-E91 WeakPolarHBondContact O-CB 3.35Å; F87-E91 PolarHBondContact O-N 3.46Å; G89-E91 VanDerWaalsContact C-N 3.32Å; G89-E91 PolarHBondContact O-N 2.98Å; E91-R93 PolarHBondContact O-N 2.85Å; E91-K94 PolarHBondContact O-N 3.09Å; E91-F95 PolarHBondContact O-N 3.48Å; E91-I175 HydrophobicContact CG-CD1 4.32Å; E91-K230 VanDerWaalsContact CD-NZ 3.26Å; E91-K230 IonicContact OE1-NZ 2.81Å; E91-K230 PolarHBondContact OE1-NZ 2.68Å; E91-K230 WeakPolarHBondContact OE2-CE 3.44Å; E91-K230 IonicContact OE2-NZ 3.44Å; E91-K230 PolarHBondContact OE2-NZ 2.85Å
92Y97.9Very high96.8Very high7 Ų749.2 Ų49.23%0.02724%0.243CC..Iπ-helixtrans-64.2-45.7-176.8-65.2-50.6000112.4L86 F87 R88 F95 F96 P103 L104 L350 P351 E353L86-Y92 HydrophobicContact CB-CD1 4.32Å; L86-Y92 HydrophobicContact CB-CD2 4.31Å; L86-Y92 HydrophobicContact CB-CE1 3.77Å; L86-Y92 HydrophobicContact CB-CE2 3.79Å; L86-Y92 VanDerWaalsContact CB-CZ 3.48Å; L86-Y92 HydrophobicContact CD1-CD1 4.22Å; L86-Y92 HydrophobicContact CD1-CE1 3.73Å; L86-Y92 HydrophobicContact CG-CE1 3.86Å; L86-Y92 PolarHBondContact N-OH 2.88Å; L86-Y92 VanDerWaalsContact N-OH 3.09Å; F87-Y92 PolarHBondContact O-N 3.22Å; R88-Y92 HydrophobicContact CB-CD2 4.44Å; R88-Y92 HydrophobicContact CG-CD2 4.02Å; R88-Y92 PolarHBondContact O-N 3Å; Y92-F95 WeakPolarHBondContact O-CB 3.38Å; Y92-F95 PolarHBondContact O-N 3.39Å; Y92-F96 PolarHBondContact O-N 2.89Å; Y92-P103 HydrophobicContact CD1-CB 4.27Å; Y92-P103 HydrophobicContact CD1-CG 4Å; Y92-P103 HydrophobicContact CG-CG 4.32Å; Y92-L104 HydrophobicContact CD1-CD2 4.08Å; Y92-L104 HydrophobicContact CD1-CG 4.25Å; Y92-L104 HydrophobicContact CD2-CD1 3.6Å; Y92-L104 HydrophobicContact CD2-CD2 4.24Å; Y92-L104 HydrophobicContact CD2-CG 4.13Å; Y92-L104 HydrophobicContact CE1-CD2 3.85Å; Y92-L104 HydrophobicContact CE1-CG 4.49Å; Y92-L104 HydrophobicContact CE2-CD1 3.92Å; Y92-L104 HydrophobicContact CE2-CD2 4.01Å; Y92-L104 HydrophobicContact CE2-CG 4.37Å; Y92-L104 HydrophobicContact CG-CD1 3.99Å; Y92-L104 HydrophobicContact CG-CD2 4.3Å; Y92-L104 HydrophobicContact CG-CG 4.08Å; Y92-L350 HydrophobicContact CD1-CB 4.31Å; Y92-L350 HydrophobicContact CD1-CD1 3.84Å; Y92-L350 HydrophobicContact CE1-CB 4.14Å; Y92-L350 HydrophobicContact CE1-CD1 4.41Å; Y92-P351 WeakPolarHBondContact CE1-O 3.29Å; Y92-P351 PolarHBondContact OH-O 3.3Å; Y92-E353 HydrophobicContact CE2-CG 3.76Å
93R96.1Very high96.8Very high79 Ų7949.5 Ų49.530%0.29825%0.245SC..Iπ-helixtrans-69.8-36.7-179.3-170.1174-144.5-137.8-6.7111.5R88 E91 F95 F96 H97 H143R88-R93 WeakPolarHBondContact O-CB 3.28Å; R88-R93 PolarHBondContact O-N 3.35Å; E91-R93 PolarHBondContact O-N 2.85Å; R93-F95 VanDerWaalsContact C-N 3.32Å; R93-F95 PolarHBondContact O-N 3.49Å; R93-F96 WeakPolarHBondContact O-CB 3.46Å; R93-F96 PolarHBondContact O-N 2.92Å; R93-H97 WeakPolarHBondContact CG-NE2 3.44Å; R93-H97 PolarHBondContact O-CD2 3.35Å; R93-H97 PolarHBondContact O-N 3.02Å; R93-H143 PolarHBondContact NE-NE2 2.82Å; R93-H143 PolarHBondContact NH1-CD2 3.46Å; R93-H143 VanDerWaalsContact NH1-CD2 3.3Å; R93-H143 PolarHBondContact NH1-NE2 2.81Å; R93-H143 PolarHBondContact NH2-CD2 3.3Å; R93-H143 PolarHBondContact NH2-NE2 2.81Å
94K95.9Very high96.8Very high105 Ų10550.3 Ų50.346%0.45725%0.249SC..Hα-helixtrans-57.4-46.3170.7-175176.3175.7-178.50111.3E91 F96 H97 E98E91-K94 PolarHBondContact O-N 3.09Å; K94-F96 PolarHBondContact O-N 3.38Å; K94-H97 PolarHBondContact O-N 3.5Å; K94-E98 WeakPolarHBondContact CE-OE1 3.32Å; K94-E98 IonicContact NZ-OE1 2.68Å; K94-E98 WeakPolarHBondContact O-CG 3.29Å; K94-E98 PolarHBondContact O-N 3.5Å
95F97.3Very high96.8Very high50 Ų5051.4 Ų51.422%0.21926%0.256CS..Hα-helixtrans-60.3-43.1174.7174.6-85.8000112.7E91 Y92 R93 H97 E98 T99 R101 P103 L350 F423E91-F95 PolarHBondContact O-N 3.48Å; Y92-F95 WeakPolarHBondContact O-CB 3.38Å; Y92-F95 PolarHBondContact O-N 3.39Å; R93-F95 VanDerWaalsContact C-N 3.32Å; R93-F95 PolarHBondContact O-N 3.49Å; F95-H97 PolarHBondContact O-N 3.23Å; F95-E98 PolarHBondContact O-N 2.81Å; F95-T99 HydrophobicContact CD2-CG2 4.05Å; F95-T99 HydrophobicContact CE1-CG2 4.39Å; F95-T99 VanDerWaalsContact CE1-OG1 3.3Å; F95-T99 WeakPolarHBondContact CE1-OG1 3.38Å; F95-T99 HydrophobicContact CE2-CG2 3.81Å; F95-T99 HydrophobicContact CG-CG2 4.44Å; F95-T99 HydrophobicContact CZ-CG2 3.99Å; F95-T99 WeakPolarHBondContact O-CB 3.5Å; F95-T99 WeakPolarHBondContact O-CG2 3.28Å; F95-T99 PolarHBondContact O-N 3.41Å; F95-T99 PolarHBondContact O-OG1 2.93Å; F95-R101 WeakPolarHBondContact CD1-O 3.3Å; F95-R101 HydrophobicContact CE1-CB 4.07Å; F95-R101 VanDerWaalsContact CE1-O 3.31Å; F95-R101 WeakPolarHBondContact CE1-O 3.33Å; F95-P103 HydrophobicContact CD1-CB 3.76Å; F95-P103 HydrophobicContact CD1-CG 3.82Å; F95-P103 HydrophobicContact CE1-CB 4.02Å; F95-P103 HydrophobicContact CE1-CG 4.48Å; F95-L350 HydrophobicContact CB-CD1 3.56Å; F95-L350 HydrophobicContact CD1-CD1 4.34Å; F95-L350 HydrophobicContact CD2-CD1 3.96Å; F95-L350 HydrophobicContact CD2-CG 4.2Å; F95-L350 HydrophobicContact CG-CD1 3.7Å; F95-L350 HydrophobicContact CG-CG 4.38Å; F95-F423 HydrophobicContact CE1-CZ 4.23Å; F95-F423 HydrophobicContact CZ-CZ 4.24Å
96F96.5Very high96.7Very high75 Ų7559.1 Ų59.133%0.32929%0.286SS..Hα-helixtrans-59.7-45.8175.1173.6-99.4000111.7Y92 R93 K94 E98 T99 G100 D102Y92-F96 PolarHBondContact O-N 2.89Å; R93-F96 WeakPolarHBondContact O-CB 3.46Å; R93-F96 PolarHBondContact O-N 2.92Å; K94-F96 PolarHBondContact O-N 3.38Å; F96-E98 VanDerWaalsContact C-N 3.3Å; F96-E98 PolarHBondContact O-N 3.39Å; F96-T99 PolarHBondContact O-N 3.41Å; F96-G100 VanDerWaalsContact O-CA 3.3Å; F96-G100 WeakPolarHBondContact O-CA 3.27Å; F96-G100 PolarHBondContact O-N 3.01Å; F96-D102 WeakPolarHBondContact CD2-OD1 3.42Å
97H95.7Very high96.6Very high126 Ų12662.9 Ų62.958%0.58330%0.3SS*.Hα-helixtrans-62.4-35.1177.9-72.9-54.3000113.2R93 K94 F95R93-H97 WeakPolarHBondContact CG-NE2 3.44Å; R93-H97 PolarHBondContact O-CD2 3.35Å; R93-H97 PolarHBondContact O-N 3.02Å; K94-H97 PolarHBondContact O-N 3.5Å; F95-H97 PolarHBondContact O-N 3.23Å
98E96.4Very high96.5Very high139 Ų13962.9 Ų62.965%0.6530%0.3SS*.Hα-helixtrans-82-30.7-178.9-71.6175.4-17700113.4K94 F95 F96K94-E98 WeakPolarHBondContact CE-OE1 3.32Å; K94-E98 IonicContact NZ-OE1 2.68Å; K94-E98 WeakPolarHBondContact O-CG 3.29Å; K94-E98 PolarHBondContact O-N 3.5Å; F95-E98 PolarHBondContact O-N 2.81Å; F96-E98 VanDerWaalsContact C-N 3.3Å; F96-E98 PolarHBondContact O-N 3.39Å
99T96.8Very high96.4Very high62 Ų6264.3 Ų64.338%0.3831%0.308SS..Hα-helixtrans-115-17.2-170.567.50000114.8F95 F96 R101F95-T99 HydrophobicContact CD2-CG2 4.05Å; F95-T99 HydrophobicContact CE1-CG2 4.39Å; F95-T99 VanDerWaalsContact CE1-OG1 3.3Å; F95-T99 WeakPolarHBondContact CE1-OG1 3.38Å; F95-T99 HydrophobicContact CE2-CG2 3.81Å; F95-T99 HydrophobicContact CG-CG2 4.44Å; F95-T99 HydrophobicContact CZ-CG2 3.99Å; F95-T99 WeakPolarHBondContact O-CB 3.5Å; F95-T99 WeakPolarHBondContact O-CG2 3.28Å; F95-T99 PolarHBondContact O-N 3.41Å; F95-T99 PolarHBondContact O-OG1 2.93Å; F96-T99 PolarHBondContact O-N 3.41Å; T99-R101 PolarHBondContact O-N 2.79Å; T99-R101 PolarHBondContact OG1-N 3.28Å
100G96.4Very high96.4Very high58 Ų5866.9 Ų66.960%0.59832%0.321SS*.SBendtrans65.914.4-170.400000114F96F96-G100 VanDerWaalsContact O-CA 3.3Å; F96-G100 WeakPolarHBondContact O-CA 3.27Å; F96-G100 PolarHBondContact O-N 3.01Å
101R95.7Very high96.3Very high144 Ų14467.7 Ų67.754%0.54332%0.323SS..  trans-113.1129179.8-60.9-179.8-175-172.81.1110F95 T99 P103 F423F95-R101 WeakPolarHBondContact CD1-O 3.3Å; F95-R101 HydrophobicContact CE1-CB 4.07Å; F95-R101 VanDerWaalsContact CE1-O 3.31Å; F95-R101 WeakPolarHBondContact CE1-O 3.33Å; T99-R101 PolarHBondContact O-N 2.79Å; T99-R101 PolarHBondContact OG1-N 3.28Å; R101-P103 VanDerWaalsContact O-CD 3.29Å; R101-P103 WeakPolarHBondContact O-CD 3.44Å; R101-F423 HydrophobicContact CB-CD1 4.09Å; R101-F423 HydrophobicContact CB-CE1 3.9Å
102D95.1Very high96.2Very high98 Ų9865.9 Ų65.952%0.52432%0.315SS..  trans-72.5115.9174.9-71.1-75.6000110.8F96 L104 F423F96-D102 WeakPolarHBondContact CD2-OD1 3.42Å; D102-L104 VanDerWaalsContact C-N 3.29Å; D102-L104 PolarHBondContact O-N 3.04Å; D102-F423 WeakPolarHBondContact O-CE1 3.43Å
103P96.5Very high96Very high7 Ų766 Ų665%0.04532%0.318CS..SBendtrans-77.1-17.1-18031-32.7000112.8Y92 F95 R101 L350Y92-P103 HydrophobicContact CD1-CB 4.27Å; Y92-P103 HydrophobicContact CD1-CG 4Å; Y92-P103 HydrophobicContact CG-CG 4.32Å; F95-P103 HydrophobicContact CD1-CB 3.76Å; F95-P103 HydrophobicContact CD1-CG 3.82Å; F95-P103 HydrophobicContact CE1-CB 4.02Å; F95-P103 HydrophobicContact CE1-CG 4.48Å; R101-P103 VanDerWaalsContact O-CD 3.29Å; R101-P103 WeakPolarHBondContact O-CD 3.44Å; P103-L350 HydrophobicContact CB-CB 4.38Å; P103-L350 HydrophobicContact CB-CD1 4.11Å; P103-L350 HydrophobicContact CG-CD1 4.43Å
104L97Very high96Very high17 Ų1767.6 Ų67.69%0.08933%0.329CS..SBendtrans-114.9139.7-178.9-58.5-177.9000110.6Y92 D102 D108 M109 E353Y92-L104 HydrophobicContact CD1-CD2 4.08Å; Y92-L104 HydrophobicContact CD1-CG 4.25Å; Y92-L104 HydrophobicContact CD2-CD1 3.6Å; Y92-L104 HydrophobicContact CD2-CD2 4.24Å; Y92-L104 HydrophobicContact CD2-CG 4.13Å; Y92-L104 HydrophobicContact CE1-CD2 3.85Å; Y92-L104 HydrophobicContact CE1-CG 4.49Å; Y92-L104 HydrophobicContact CE2-CD1 3.92Å; Y92-L104 HydrophobicContact CE2-CD2 4.01Å; Y92-L104 HydrophobicContact CE2-CG 4.37Å; Y92-L104 HydrophobicContact CG-CD1 3.99Å; Y92-L104 HydrophobicContact CG-CD2 4.3Å; Y92-L104 HydrophobicContact CG-CG 4.08Å; D102-L104 VanDerWaalsContact C-N 3.29Å; D102-L104 PolarHBondContact O-N 3.04Å; L104-D108 WeakPolarHBondContact CD2-OD2 3.28Å; L104-M109 HydrophobicContact CB-CG 4.11Å; L104-M109 HydrophobicContact CD1-CG 4.25Å; L104-E353 HydrophobicContact CD1-CG 3.99Å; L104-E353 WeakPolarHBondContact CD1-OE1 3.46Å; L104-E353 HydrophobicContact CD2-CG 4.03Å
105T96.4Very high96Very high28 Ų2864.4 Ų64.417%0.17232%0.317CS..  trans-82.9159.9173.570.20000111Y107 D108 M109 E418 L419T105-Y107 PolarHBondContact O-N 3.3Å; T105-Y107 PolarHBondContact OG1-N 3.27Å; T105-D108 PolarHBondContact O-N 3.4Å; T105-D108 WeakPolarHBondContact OG1-CB 3.3Å; T105-D108 PolarHBondContact OG1-N 3.04Å; T105-D108 VanDerWaalsContact OG1-N 3.08Å; T105-M109 WeakPolarHBondContact O-CG 3.19Å; T105-M109 PolarHBondContact O-N 2.9Å; T105-E418 WeakPolarHBondContact CB-O 3.47Å; T105-E418 WeakPolarHBondContact CG2-O 3.04Å; T105-E418 PolarHBondContact OG1-O 3.43Å; T105-L419 WeakPolarHBondContact CG2-O 3.48Å; T105-L419 PolarHBondContact OG1-O 3.36Å
106Y94.3Very high95.9Very high168 Ų16862.4 Ų62.466%0.65931%0.308SS*.Hα-helixtrans-60.2-33.6171.2-72.1-63.3000112.7M109 N110Y106-M109 HydrophobicContact CD1-CE 3.53Å; Y106-M109 HydrophobicContact CE1-CE 3.9Å; Y106-M109 HydrophobicContact CG-CE 4.27Å; Y106-N110 VanDerWaalsContact O-CB 3.3Å; Y106-N110 WeakPolarHBondContact O-CB 3.4Å; Y106-N110 PolarHBondContact O-N 3Å; Y106-N110 PolarHBondContact O-ND2 3.39Å; Y106-N110 VanDerWaalsContact O-ND2 3.09Å
107Y95.7Very high95.8Very high80 Ų8060.7 Ų60.731%0.31430%0.301SS..Hα-helixtrans-63.3-49176.2177-98.6000110.9T105 M109 N110 L111 E418 L419T105-Y107 PolarHBondContact O-N 3.3Å; T105-Y107 PolarHBondContact OG1-N 3.27Å; Y107-M109 PolarHBondContact O-N 3.39Å; Y107-N110 PolarHBondContact O-N 3.44Å; Y107-L111 HydrophobicContact CD1-CD1 4.03Å; Y107-L111 HydrophobicContact CE1-CD1 3.52Å; Y107-L111 HydrophobicContact CE1-CG 4.2Å; Y107-L111 WeakPolarHBondContact O-CG 3.2Å; Y107-L111 PolarHBondContact O-N 3Å; Y107-E418 HydrophobicContact CD1-CB 3.67Å; Y107-E418 HydrophobicContact CD2-CB 4.39Å; Y107-E418 HydrophobicContact CE1-CB 4.01Å; Y107-E418 WeakPolarHBondContact CE2-OE2 3.47Å; Y107-E418 HydrophobicContact CG-CB 3.88Å; Y107-L419 HydrophobicContact CD1-CD2 3.85Å; Y107-L419 HydrophobicContact CD1-CG 4.32Å; Y107-L419 HydrophobicContact CE1-CD2 3.76Å; Y107-L419 HydrophobicContact CE1-CG 4.14Å
108D97.1Very high95.7Very high0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-61.5-43.4178.2-166.331.6000112.1L104 T105 N110 L111 S112 T352 E353 H354 L419L104-D108 WeakPolarHBondContact CD2-OD2 3.28Å; T105-D108 PolarHBondContact O-N 3.4Å; T105-D108 WeakPolarHBondContact OG1-CB 3.3Å; T105-D108 PolarHBondContact OG1-N 3.04Å; T105-D108 VanDerWaalsContact OG1-N 3.08Å; D108-N110 VanDerWaalsContact C-N 3.35Å; D108-N110 PolarHBondContact O-N 3.2Å; D108-L111 PolarHBondContact O-N 3.23Å; D108-S112 PolarHBondContact O-N 3.47Å; D108-S112 VanDerWaalsContact O-N 3.15Å; D108-T352 WeakPolarHBondContact OD2-CB 3.35Å; D108-E353 PolarHBondContact OD2-N 3.39Å; D108-H354 PolarHBondContact O-CE1 3Å; D108-H354 PolarHBondContact O-ND1 2.87Å; D108-H354 WeakPolarHBondContact OD1-CB 3.48Å; D108-H354 IonicContact OD1-CE1 3.38Å; D108-H354 IonicContact OD1-CG 2.59Å; D108-H354 PolarHBondContact OD1-N 3.45Å; D108-H354 IonicContact OD1-ND1 3.14Å; D108-H354 PolarHBondContact OD1-ND1 2.99Å; D108-L419 HydrophobicContact CB-CD2 4.37Å
109M95.5Very high95.6Very high50 Ų5053 Ų5325%0.24627%0.272CS..Hα-helixtrans-64.3-37175.4-70.5-171.4-71.100112.9L104 T105 Y106 Y107 S112 A113L104-M109 HydrophobicContact CB-CG 4.11Å; L104-M109 HydrophobicContact CD1-CG 4.25Å; T105-M109 WeakPolarHBondContact O-CG 3.19Å; T105-M109 PolarHBondContact O-N 2.9Å; Y106-M109 HydrophobicContact CD1-CE 3.53Å; Y106-M109 HydrophobicContact CE1-CE 3.9Å; Y106-M109 HydrophobicContact CG-CE 4.27Å; Y107-M109 PolarHBondContact O-N 3.39Å; M109-S112 PolarHBondContact O-N 2.79Å; M109-A113 PolarHBondContact O-N 3.31Å
110N95.7Very high95.6Very high62 Ų6250.1 Ų50.133%0.33225%0.254SS..Hα-helixtrans-68-37177-74.3-25.8000111.9Y106 Y107 D108 S112 A113 Q114Y106-N110 VanDerWaalsContact O-CB 3.3Å; Y106-N110 WeakPolarHBondContact O-CB 3.4Å; Y106-N110 PolarHBondContact O-N 3Å; Y106-N110 PolarHBondContact O-ND2 3.39Å; Y106-N110 VanDerWaalsContact O-ND2 3.09Å; Y107-N110 PolarHBondContact O-N 3.44Å; D108-N110 VanDerWaalsContact C-N 3.35Å; D108-N110 PolarHBondContact O-N 3.2Å; N110-S112 VanDerWaalsContact C-N 3.33Å; N110-A113 WeakPolarHBondContact O-CB 3.33Å; N110-A113 PolarHBondContact O-N 3.04Å; N110-Q114 WeakPolarHBondContact O-CG 3.31Å; N110-Q114 PolarHBondContact O-N 3.47Å
111L96.3Very high95.6Very high26 Ų2649.3 Ų49.314%0.13624%0.238CC..Hα-helixtrans-60.7-44.4172.5-70175.7000110.7V79 Y107 D108 A113 Q114 D115 H354 L419V79-L111 HydrophobicContact CB-CD1 4.34Å; V79-L111 HydrophobicContact CG1-CD1 3.64Å; Y107-L111 HydrophobicContact CD1-CD1 4.03Å; Y107-L111 HydrophobicContact CE1-CD1 3.52Å; Y107-L111 HydrophobicContact CE1-CG 4.2Å; Y107-L111 WeakPolarHBondContact O-CG 3.2Å; Y107-L111 PolarHBondContact O-N 3Å; D108-L111 PolarHBondContact O-N 3.23Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.12Å; L111-Q114 WeakPolarHBondContact O-CB 3.43Å; L111-Q114 PolarHBondContact O-N 3Å; L111-D115 PolarHBondContact O-N 3.14Å; L111-H354 VanDerWaalsContact CB-CE1 3.41Å; L111-H354 WeakPolarHBondContact CB-CE1 3.33Å; L111-H354 HydrophobicContact CD1-CB 4.09Å; L111-L419 HydrophobicContact CD1-CD2 3.89Å
112S95.4Very high95.6Very high2 Ų243.3 Ų43.31%0.01422%0.217CC..Hα-helixtrans-61.9-39.5176.9-95.80000111.6R88 D108 M109 N110 Q114 D115 H116 E353 H354R88-S112 PolarHBondContact NH2-OG 2.98Å; D108-S112 PolarHBondContact O-N 3.47Å; D108-S112 VanDerWaalsContact O-N 3.15Å; M109-S112 PolarHBondContact O-N 2.79Å; N110-S112 VanDerWaalsContact C-N 3.33Å; S112-Q114 VanDerWaalsContact C-N 3.31Å; S112-Q114 PolarHBondContact O-N 3.44Å; S112-D115 WeakPolarHBondContact O-CB 3.32Å; S112-D115 PolarHBondContact O-N 3.3Å; S112-H116 WeakPolarHBondContact O-CB 3.48Å; S112-H116 PolarHBondContact O-N 3.47Å; S112-H116 PolarHBondContact O-ND1 2.72Å; S112-E353 VanDerWaalsContact CB-OE2 3.27Å; S112-E353 WeakPolarHBondContact CB-OE2 3.44Å; S112-E353 PolarHBondContact OG-OE2 3.25Å; S112-H354 PolarHBondContact N-CE1 2.94Å; S112-H354 PolarHBondContact OG-CE1 3.45Å
113A95Very high95.5Very high10 Ų1047.7 Ų47.78%0.08324%0.235CC..Hα-helixtrans-64.4-35.2175.800000112.4M109 N110 L111 Q117 W138M109-A113 PolarHBondContact O-N 3.31Å; N110-A113 WeakPolarHBondContact O-CB 3.33Å; N110-A113 PolarHBondContact O-N 3.04Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.12Å; A113-Q117 VanDerWaalsContact O-CG 3.28Å; A113-Q117 WeakPolarHBondContact O-CG 3.14Å; A113-Q117 PolarHBondContact O-N 2.98Å; A113-Q117 VanDerWaalsContact O-N 3.15Å; A113-Q117 PolarHBondContact O-NE2 3.43Å; A113-W138 VanDerWaalsContact CB-O 3.27Å; A113-W138 WeakPolarHBondContact CB-O 3.41Å
114Q95.2Very high95.3Very high113 Ų11348.4 Ų48.453%0.52824%0.241SC..Hα-helixtrans-67.8-48.9173.7-68.8171.530.900110.7N110 L111 S112 H116 Q117 T118N110-Q114 WeakPolarHBondContact O-CG 3.31Å; N110-Q114 PolarHBondContact O-N 3.47Å; L111-Q114 WeakPolarHBondContact O-CB 3.43Å; L111-Q114 PolarHBondContact O-N 3Å; S112-Q114 VanDerWaalsContact C-N 3.31Å; S112-Q114 PolarHBondContact O-N 3.44Å; Q114-H116 VanDerWaalsContact C-N 3.35Å; Q114-H116 PolarHBondContact O-N 2.74Å; Q114-Q117 WeakPolarHBondContact O-CB 3.46Å; Q114-Q117 PolarHBondContact O-N 3.07Å; Q114-Q117 VanDerWaalsContact O-N 3.12Å; Q114-T118 PolarHBondContact O-N 2.81Å; Q114-T118 PolarHBondContact O-OG1 3.36Å
115D95.1Very high95.2Very high38 Ų3847.6 Ų47.620%0.20324%0.237CC..Hα-helixtrans-52.4-50.5174.1-95.613.3000111.7R81 L111 S112 Q117 T118 F119 H354R81-D115 WeakPolarHBondContact CD-OD2 3.33Å; R81-D115 IonicContact NE-OD2 3.57Å; L111-D115 PolarHBondContact O-N 3.14Å; S112-D115 WeakPolarHBondContact O-CB 3.32Å; S112-D115 PolarHBondContact O-N 3.3Å; D115-Q117 VanDerWaalsContact C-N 3.32Å; D115-Q117 PolarHBondContact O-N 3.29Å; D115-T118 PolarHBondContact O-N 2.83Å; D115-T118 VanDerWaalsContact O-N 3.17Å; D115-F119 HydrophobicContact CB-CD2 4.24Å; D115-F119 HydrophobicContact CB-CE2 3.52Å; D115-F119 HydrophobicContact CB-CZ 3.89Å; D115-F119 WeakPolarHBondContact O-CB 3.38Å; D115-F119 WeakPolarHBondContact O-CD1 3.48Å; D115-F119 WeakPolarHBondContact O-CD2 3.3Å; D115-F119 WeakPolarHBondContact O-CE2 3.32Å; D115-F119 WeakPolarHBondContact O-CG 3.25Å; D115-F119 PolarHBondContact O-N 3.19Å; D115-H354 IonicContact OD2-NE2 3.99Å
116H95.3Very high95.1Very high7 Ų749 Ų493%0.03226%0.257CS..Hα-helixtrans-61.3-39.5178.8-64.5154.6000112.3R81 S112 Q114 F119 F120 W138R81-H116 PolarHBondContact NH2-NE2 3.46Å; S112-H116 WeakPolarHBondContact O-CB 3.48Å; S112-H116 PolarHBondContact O-N 3.47Å; S112-H116 PolarHBondContact O-ND1 2.72Å; Q114-H116 VanDerWaalsContact C-N 3.35Å; Q114-H116 PolarHBondContact O-N 2.74Å; H116-F119 PolarHBondContact O-N 3.02Å; H116-F120 HydrophobicContact CB-CD2 3.94Å; H116-F120 HydrophobicContact CB-CE2 4.28Å; H116-F120 AromaticContact CD2-CE2 3.52Å; H116-F120 WeakPolarHBondContact O-CA 3.02Å; H116-F120 VanDerWaalsContact O-CB 3.23Å; H116-F120 WeakPolarHBondContact O-CB 3.04Å; H116-F120 PolarHBondContact O-N 3.37Å; H116-W138 HydrophobicContact CB-CD2 3.75Å; H116-W138 HydrophobicContact CB-CE3 3.54Å; H116-W138 HydrophobicContact CB-CG 4.23Å; H116-W138 HydrophobicContact CB-CZ3 3.95Å; H116-W138 AromaticContact CE1-CZ3 3.99Å; H116-W138 AromaticContact CG-CE3 3.66Å; H116-W138 AromaticContact CG-CZ3 3.7Å; H116-W138 AromaticContact ND1-CE3 3.38Å; H116-W138 AromaticContact ND1-CZ3 3.45Å; H116-W138 WeakPolarHBondContact ND1-CZ3 3.28Å
117Q94.8Very high95.1Very high40 Ų4044.1 Ų44.119%0.18726%0.258CS..Hα-helixtrans-64.2-44.4174.3-74.1169.183.600111.2A113 Q114 D115 F119 T121 W138 R139A113-Q117 VanDerWaalsContact O-CG 3.28Å; A113-Q117 WeakPolarHBondContact O-CG 3.14Å; A113-Q117 PolarHBondContact O-N 2.98Å; A113-Q117 VanDerWaalsContact O-N 3.15Å; A113-Q117 PolarHBondContact O-NE2 3.43Å; Q114-Q117 WeakPolarHBondContact O-CB 3.46Å; Q114-Q117 PolarHBondContact O-N 3.07Å; Q114-Q117 VanDerWaalsContact O-N 3.12Å; D115-Q117 VanDerWaalsContact C-N 3.32Å; D115-Q117 PolarHBondContact O-N 3.29Å; Q117-F119 VanDerWaalsContact C-N 3.3Å; Q117-F119 PolarHBondContact O-N 3.49Å; Q117-T121 WeakPolarHBondContact O-CB 3.35Å; Q117-T121 PolarHBondContact O-N 3.42Å; Q117-T121 PolarHBondContact O-OG1 2.46Å; Q117-W138 HydrophobicContact CG-CB 4.13Å; Q117-R139 VanDerWaalsContact OE1-CZ 3.22Å
118T94.3Very high95.1Very high97 Ų9743.1 Ų43.160%0.59526%0.255SS*.Hα-helixtrans-62.5-36177.1-59.60000112.6Q114 D115Q114-T118 PolarHBondContact O-N 2.81Å; Q114-T118 PolarHBondContact O-OG1 3.36Å; D115-T118 PolarHBondContact O-N 2.83Å; D115-T118 VanDerWaalsContact O-N 3.17Å
119F94.7Very high95.2Very high7 Ų746.2 Ų46.23%0.03128%0.275CS..Hα-helixtrans-87.9-38-175-54.4-24.2000113.3R81 D115 H116 Q117 H215 L253 F254R81-F119 VanDerWaalsContact NH1-CE2 3.32Å; D115-F119 HydrophobicContact CB-CD2 4.24Å; D115-F119 HydrophobicContact CB-CE2 3.52Å; D115-F119 HydrophobicContact CB-CZ 3.89Å; D115-F119 WeakPolarHBondContact O-CB 3.38Å; D115-F119 WeakPolarHBondContact O-CD1 3.48Å; D115-F119 WeakPolarHBondContact O-CD2 3.3Å; D115-F119 WeakPolarHBondContact O-CE2 3.32Å; D115-F119 WeakPolarHBondContact O-CG 3.25Å; D115-F119 PolarHBondContact O-N 3.19Å; H116-F119 PolarHBondContact O-N 3.02Å; Q117-F119 VanDerWaalsContact C-N 3.3Å; Q117-F119 PolarHBondContact O-N 3.49Å; F119-H215 HydrophobicContact CB-CB 4.15Å; F119-H215 WeakPolarHBondContact O-CB 3.42Å; F119-L253 HydrophobicContact CD1-CD2 3.6Å; F119-L253 HydrophobicContact CE1-CD1 3.74Å; F119-L253 HydrophobicContact CE1-CD2 3.33Å; F119-L253 HydrophobicContact CE1-CG 3.95Å; F119-L253 HydrophobicContact CE2-CD2 4.44Å; F119-L253 HydrophobicContact CG-CD2 4.33Å; F119-L253 HydrophobicContact CZ-CD1 3.83Å; F119-L253 HydrophobicContact CZ-CD2 3.79Å; F119-L253 HydrophobicContact CZ-CG 4Å; F119-F254 HydrophobicContact CD2-CE1 4.02Å; F119-F254 HydrophobicContact CE2-CE1 4.01Å
120F97Very high95.3Very high1 Ų144.7 Ų44.70%0.00427%0.267CS..Hα-helixtrans-116.110.2-162.2-52.3-36.6000113.9H116 W138 T162 I165 A216 F219H116-F120 HydrophobicContact CB-CD2 3.94Å; H116-F120 HydrophobicContact CB-CE2 4.28Å; H116-F120 AromaticContact CD2-CE2 3.52Å; H116-F120 WeakPolarHBondContact O-CA 3.02Å; H116-F120 VanDerWaalsContact O-CB 3.23Å; H116-F120 WeakPolarHBondContact O-CB 3.04Å; H116-F120 PolarHBondContact O-N 3.37Å; F120-W138 HydrophobicContact CB-CZ2 4.23Å; F120-W138 AromaticContact CD2-CH2 3.85Å; F120-W138 HydrophobicContact CD2-CH2 3.85Å; F120-W138 AromaticContact CD2-CZ2 3.67Å; F120-W138 HydrophobicContact CD2-CZ2 3.67Å; F120-W138 HydrophobicContact CE2-CH2 4.27Å; F120-W138 HydrophobicContact CG-CZ2 4.36Å; F120-T162 HydrophobicContact CB-CG2 3.69Å; F120-T162 HydrophobicContact CG-CG2 4.29Å; F120-I165 HydrophobicContact CD1-CD1 4.23Å; F120-I165 HydrophobicContact CE1-CD1 3.85Å; F120-I165 HydrophobicContact CE2-CD1 4.2Å; F120-I165 HydrophobicContact CE2-CG2 3.96Å; F120-I165 HydrophobicContact CZ-CD1 3.84Å; F120-I165 HydrophobicContact CZ-CG2 4.29Å; F120-A216 HydrophobicContact CD1-CB 4.2Å; F120-A216 HydrophobicContact CE1-CB 4.38Å; F120-F219 HydrophobicContact CE1-CB 4.06Å; F120-F219 HydrophobicContact CE1-CG 4.2Å; F120-F219 HydrophobicContact CZ-CB 4.02Å; F120-F219 AromaticContact CZ-CD1 3.77Å; F120-F219 HydrophobicContact CZ-CD1 3.77Å; F120-F219 HydrophobicContact CZ-CD2 4.01Å; F120-F219 HydrophobicContact CZ-CE1 4.26Å; F120-F219 HydrophobicContact CZ-CE2 4.48Å; F120-F219 AromaticContact CZ-CG 3.64Å; F120-F219 HydrophobicContact CZ-CG 3.64Å
121T96.2Very high95.4Very high41 Ų4142.4 Ų42.425%0.25225%0.254SS..  trans-129.6150.5173.974.80000110.6Q117 Q135Q117-T121 WeakPolarHBondContact O-CB 3.35Å; Q117-T121 PolarHBondContact O-N 3.42Å; Q117-T121 PolarHBondContact O-OG1 2.46Å; T121-Q135 HydrophobicContact CG2-CG 4.04Å
122C95.7Very high95.4Very high18 Ų1845.5 Ų45.512%0.12227%0.268CS..  trans-147.4165.7172.1670000111.1A124 D125 R212C122-A124 PolarHBondContact O-N 3.44Å; C122-D125 PolarHBondContact N-OD2 2.94Å; C122-D125 VanDerWaalsContact O-CB 3.22Å; C122-D125 WeakPolarHBondContact O-CB 3.38Å; C122-D125 PolarHBondContact O-N 2.91Å; C122-D125 VanDerWaalsContact O-N 3.11Å; C122-D125 PolarHBondContact SG-OD1 3.32Å; C122-D125 VanDerWaalsContact SG-OD1 3.4Å; C122-D125 PolarHBondContact SG-OD2 2.89Å; C122-R212 HydrophobicContact CB-CB 4.34Å
123E92.2Very high95.5Very high189 Ų18947 Ų4788%0.88328%0.275SS*.G310 helixtrans-63.2-31.8-178.3-65.2179.6171.100112.8D125 G126E123-D125 PolarHBondContact O-N 2.66Å; E123-G126 PolarHBondContact O-N 3.09Å
124A93.1Very high95.7Very high22 Ų2246.6 Ų46.618%0.18227%0.272CS..G310 helixtrans-70.63.317700000114.1C122 K128 A205 M209C122-A124 PolarHBondContact O-N 3.44Å; A124-K128 PolarHBondContact O-NZ 3.46Å; A124-A205 HydrophobicContact CB-CB 4.1Å; A124-M209 HydrophobicContact CB-CG 3.44Å; A124-M209 VanDerWaalsContact CB-CG 3.44Å; A124-M209 HydrophobicContact CB-SD 3.77Å
125D95.2Very high95.7Very high1 Ų144.5 Ų44.51%0.00526%0.262CS..G310 helixtrans-86.9-12174.6-68-23000113.5C122 E123 G127 K128 Y131 R212C122-D125 PolarHBondContact N-OD2 2.94Å; C122-D125 VanDerWaalsContact O-CB 3.22Å; C122-D125 WeakPolarHBondContact O-CB 3.38Å; C122-D125 PolarHBondContact O-N 2.91Å; C122-D125 VanDerWaalsContact O-N 3.11Å; C122-D125 PolarHBondContact SG-OD1 3.32Å; C122-D125 VanDerWaalsContact SG-OD1 3.4Å; C122-D125 PolarHBondContact SG-OD2 2.89Å; E123-D125 PolarHBondContact O-N 2.66Å; D125-G127 PolarHBondContact O-N 3.37Å; D125-K128 WeakPolarHBondContact O-CB 3.5Å; D125-K128 PolarHBondContact O-N 2.8Å; D125-Y131 HydrophobicContact CB-CD2 4.27Å; D125-Y131 HydrophobicContact CB-CG 3.94Å; D125-R212 IonicContact OD1-CZ 3.07Å; D125-R212 IonicContact OD1-NH1 2.75Å; D125-R212 PolarHBondContact OD1-NH1 3.08Å; D125-R212 IonicContact OD2-NH1 3.79Å; D125-R212 PolarHBondContact OD2-NH1 3.3Å; D125-R212 VanDerWaalsContact OD2-NH1 3.14Å
126G93.3Very high95.7Very high58 Ų5847.8 Ų47.860%0.59828%0.279SS*.THydrogen-bonded Turntrans-56.9136.517400000112.2E123 K128E123-G126 PolarHBondContact O-N 3.09Å; G126-K128 VanDerWaalsContact C-N 3.28Å; G126-K128 PolarHBondContact O-N 3.13Å
127G94.3Very high95.8Very high65 Ų6547.4 Ų47.467%0.6728%0.277SS*.THydrogen-bonded Turntrans81.31-179.100000114.6D125 E132D125-G127 PolarHBondContact O-N 3.37Å; G127-E132 WeakPolarHBondContact CA-OE1 3.28Å; G127-E132 PolarHBondContact N-OE1 3.38Å
128K96.7Very high95.8Very high59 Ų5945.6 Ų45.626%0.25727%0.269SS..  trans-103.3109.2173.8-64.4176-173.6146.10109.7A124 D125 G126 E130 Y131 E132A124-K128 PolarHBondContact O-NZ 3.46Å; D125-K128 WeakPolarHBondContact O-CB 3.5Å; D125-K128 PolarHBondContact O-N 2.8Å; G126-K128 VanDerWaalsContact C-N 3.28Å; G126-K128 PolarHBondContact O-N 3.13Å; K128-E130 VanDerWaalsContact C-N 3.28Å; K128-E130 PolarHBondContact O-N 3.46Å; K128-E130 VanDerWaalsContact O-N 3.16Å; K128-Y131 HydrophobicContact CB-CD2 3.69Å; K128-Y131 HydrophobicContact CD-CD2 3.61Å; K128-Y131 HydrophobicContact CD-CE2 3.8Å; K128-Y131 HydrophobicContact CG-CD2 4.32Å; K128-Y131 PolarHBondContact O-N 2.85Å; K128-E132 PolarHBondContact O-N 3.45Å; K128-E132 VanDerWaalsContact O-N 3.13Å
129P97.6Very high95.8Very high64 Ų6448.4 Ų48.442%0.41627%0.269SS..Hα-helixtrans-55.7-38.1-171.2-27.835000114.5Y131 I133 K156P129-Y131 PolarHBondContact O-N 3.36Å; P129-I133 WeakPolarHBondContact O-CD1 3.38Å; P129-I133 VanDerWaalsContact O-CG1 3.23Å; P129-I133 WeakPolarHBondContact O-CG1 3.3Å; P129-I133 PolarHBondContact O-N 3.14Å; P129-I133 VanDerWaalsContact O-N 3.09Å; P129-K156 HydrophobicContact CB-CB 4.34Å; P129-K156 HydrophobicContact CB-CG 4.16Å
130E98.1Very high95.8Very high19 Ų1950.2 Ų50.29%0.08928%0.277CS..Hα-helixtrans-63.7-39.2179.469.5-82.4-157.500112.4K128 M134 A153 K156 N157 C160K128-E130 VanDerWaalsContact C-N 3.28Å; K128-E130 PolarHBondContact O-N 3.46Å; K128-E130 VanDerWaalsContact O-N 3.16Å; E130-M134 VanDerWaalsContact O-CG 3.29Å; E130-M134 WeakPolarHBondContact O-CG 3.36Å; E130-M134 PolarHBondContact O-N 3.38Å; E130-A153 HydrophobicContact CB-CB 4.38Å; E130-A153 WeakPolarHBondContact CB-O 3.34Å; E130-K156 HydrophobicContact CB-CB 4.3Å; E130-N157 HydrophobicContact CB-CB 3.87Å; E130-N157 HydrophobicContact CG-CB 3.69Å; E130-N157 PolarHBondContact OE1-ND2 2.93Å; E130-C160 HydrophobicContact CB-CB 4.33Å; E130-C160 HydrophobicContact CG-CB 4.16Å
131Y97.9Very high95.6Very high14 Ų1458.9 Ų58.96%0.05531%0.31CS..Hα-helixtrans-79.1-34.2-178.3-68.5-69.3000111.7D125 K128 P129 I133 M134 Q135 T162 R212D125-Y131 HydrophobicContact CB-CD2 4.27Å; D125-Y131 HydrophobicContact CB-CG 3.94Å; K128-Y131 HydrophobicContact CB-CD2 3.69Å; K128-Y131 HydrophobicContact CD-CD2 3.61Å; K128-Y131 HydrophobicContact CD-CE2 3.8Å; K128-Y131 HydrophobicContact CG-CD2 4.32Å; K128-Y131 PolarHBondContact O-N 2.85Å; P129-Y131 PolarHBondContact O-N 3.36Å; Y131-I133 VanDerWaalsContact C-N 3.34Å; Y131-M134 PolarHBondContact O-N 3Å; Y131-Q135 WeakPolarHBondContact O-CG 3.27Å; Y131-Q135 PolarHBondContact O-N 3.5Å; Y131-T162 HydrophobicContact CE1-CG2 4.38Å; Y131-R212 PolarHBondContact OH-NH1 3.29Å; Y131-R212 PolarHBondContact OH-NH2 3Å
132E97.1Very high95.4Very high91 Ų9160.7 Ų60.743%0.42532%0.318SS..Hα-helixtrans-60.2-44.4171.8-69.2175.7179.500111.2G127 K128 M134 Q135 L136G127-E132 WeakPolarHBondContact CA-OE1 3.28Å; G127-E132 PolarHBondContact N-OE1 3.38Å; K128-E132 PolarHBondContact O-N 3.45Å; K128-E132 VanDerWaalsContact O-N 3.13Å; E132-M134 VanDerWaalsContact C-N 3.34Å; E132-M134 PolarHBondContact O-N 2.86Å; E132-Q135 PolarHBondContact O-N 2.82Å; E132-L136 PolarHBondContact O-N 3.48Å
133I97.9Very high95.3Very high32 Ų3261.6 Ų61.616%0.16432%0.32CS..Hα-helixtrans-64-40.4173.9-64.8165000110.9P129 Y131 Q135 L136 S137 K149 E152 A153 K156P129-I133 WeakPolarHBondContact O-CD1 3.38Å; P129-I133 VanDerWaalsContact O-CG1 3.23Å; P129-I133 WeakPolarHBondContact O-CG1 3.3Å; P129-I133 PolarHBondContact O-N 3.14Å; P129-I133 VanDerWaalsContact O-N 3.09Å; Y131-I133 VanDerWaalsContact C-N 3.34Å; I133-Q135 PolarHBondContact O-N 3.26Å; I133-L136 PolarHBondContact O-N 2.92Å; I133-S137 PolarHBondContact O-N 2.91Å; I133-S137 PolarHBondContact O-OG 3.29Å; I133-K149 HydrophobicContact CG2-CB 4.21Å; I133-K149 WeakPolarHBondContact CG2-O 3.11Å; I133-E152 HydrophobicContact CD1-CB 4.49Å; I133-A153 HydrophobicContact CB-CB 4.02Å; I133-A153 HydrophobicContact CG2-CB 3.85Å; I133-K156 HydrophobicContact CD1-CG 3.96Å
134M97.8Very high95.5Very high2 Ų259 Ų591%0.0131%0.308CS..Hα-helixtrans-65.5-37.2178.3-76.5-55.3-59.700113E130 Y131 E132 L136 S137 W138 T150 A153 A163 L166E130-M134 VanDerWaalsContact O-CG 3.29Å; E130-M134 WeakPolarHBondContact O-CG 3.36Å; E130-M134 PolarHBondContact O-N 3.38Å; Y131-M134 PolarHBondContact O-N 3Å; E132-M134 VanDerWaalsContact C-N 3.34Å; E132-M134 PolarHBondContact O-N 2.86Å; M134-L136 PolarHBondContact O-N 3.07Å; M134-S137 PolarHBondContact O-N 3.21Å; M134-W138 HydrophobicContact CE-CD2 4.05Å; M134-W138 HydrophobicContact CE-CH2 3.9Å; M134-W138 HydrophobicContact CE-CZ2 3.24Å; M134-W138 PolarHBondContact O-N 2.97Å; M134-T150 HydrophobicContact CE-CG2 4.49Å; M134-T150 HydrophobicContact SD-CG2 3.96Å; M134-A153 HydrophobicContact CG-CB 3.95Å; M134-A153 HydrophobicContact SD-CB 4.02Å; M134-A163 HydrophobicContact CE-CB 4.33Å; M134-A163 HydrophobicContact CG-CB 4.11Å; M134-A163 VanDerWaalsContact SD-CA 3.58Å; M134-A163 HydrophobicContact SD-CB 3.55Å; M134-A163 VanDerWaalsContact SD-CB 3.55Å; M134-L166 HydrophobicContact CE-CB 4.12Å; M134-L166 HydrophobicContact CE-CD1 3.83Å
135Q95.8Very high95.7Very high70 Ų7061.5 Ų61.533%0.32732%0.316SS..Hα-helixtrans-57.1-38.3173.9-73.9-178.2700112.2T121 Y131 E132 I133T121-Q135 HydrophobicContact CG2-CG 4.04Å; Y131-Q135 WeakPolarHBondContact O-CG 3.27Å; Y131-Q135 PolarHBondContact O-N 3.5Å; E132-Q135 PolarHBondContact O-N 2.82Å; I133-Q135 PolarHBondContact O-N 3.26Å
136L95.2Very high95.8Very high106 Ų10662.2 Ų62.256%0.55532%0.319SS*.Hα-helixtrans-72.8-40173.7-60.1176.5000111.7E132 I133 M134 W138 R139 E140E132-L136 PolarHBondContact O-N 3.48Å; I133-L136 PolarHBondContact O-N 2.92Å; M134-L136 PolarHBondContact O-N 3.07Å; L136-W138 PolarHBondContact O-N 3.33Å; L136-R139 PolarHBondContact O-N 3.49Å; L136-E140 PolarHBondContact O-N 3.16Å
137S96.7Very high96Very high0 Ų060.3 Ų60.30%030%0.295CS..Hα-helixtrans-63.5-41.1-178.8-56.50000112I133 M134 R139 E140 R146 K149I133-S137 PolarHBondContact O-N 2.91Å; I133-S137 PolarHBondContact O-OG 3.29Å; M134-S137 PolarHBondContact O-N 3.21Å; S137-R139 PolarHBondContact O-N 3.28Å; S137-E140 PolarHBondContact O-N 2.82Å; S137-R146 VanDerWaalsContact O-CG 3.23Å; S137-R146 WeakPolarHBondContact O-CG 3.14Å; S137-R146 PolarHBondContact O-NH1 3.26Å; S137-K149 WeakPolarHBondContact OG-CB 2.9Å
138W95.5Very high96.2Very high2 Ų262.3 Ų62.31%0.00829%0.285CS..Hα-helixtrans-61.2-31.1177.2-64124.6000113.1A113 H116 Q117 F120 M134 L136 R146 T162 I165 L166A113-W138 VanDerWaalsContact CB-O 3.27Å; A113-W138 WeakPolarHBondContact CB-O 3.41Å; H116-W138 HydrophobicContact CB-CD2 3.75Å; H116-W138 HydrophobicContact CB-CE3 3.54Å; H116-W138 HydrophobicContact CB-CG 4.23Å; H116-W138 HydrophobicContact CB-CZ3 3.95Å; H116-W138 AromaticContact CE1-CZ3 3.99Å; H116-W138 AromaticContact CG-CE3 3.66Å; H116-W138 AromaticContact CG-CZ3 3.7Å; H116-W138 AromaticContact ND1-CE3 3.38Å; H116-W138 AromaticContact ND1-CZ3 3.45Å; H116-W138 WeakPolarHBondContact ND1-CZ3 3.28Å; Q117-W138 HydrophobicContact CG-CB 4.13Å; F120-W138 HydrophobicContact CB-CZ2 4.23Å; F120-W138 AromaticContact CD2-CH2 3.85Å; F120-W138 HydrophobicContact CD2-CH2 3.85Å; F120-W138 AromaticContact CD2-CZ2 3.67Å; F120-W138 HydrophobicContact CD2-CZ2 3.67Å; F120-W138 HydrophobicContact CE2-CH2 4.27Å; F120-W138 HydrophobicContact CG-CZ2 4.36Å; M134-W138 HydrophobicContact CE-CD2 4.05Å; M134-W138 HydrophobicContact CE-CH2 3.9Å; M134-W138 HydrophobicContact CE-CZ2 3.24Å; M134-W138 PolarHBondContact O-N 2.97Å; L136-W138 PolarHBondContact O-N 3.33Å; W138-R146 PolarHBondContact O-NH1 2.9Å; W138-T162 WeakPolarHBondContact CZ2-O 3.34Å; W138-I165 HydrophobicContact CH2-CG2 4.23Å; W138-L166 HydrophobicContact CD2-CD1 4.3Å; W138-L166 HydrophobicContact CE3-CD1 3.75Å; W138-L166 HydrophobicContact CE3-CG 4.42Å; W138-L166 HydrophobicContact CH2-CB 3.66Å; W138-L166 HydrophobicContact CH2-CD1 4.16Å; W138-L166 HydrophobicContact CH2-CG 4.29Å; W138-L166 HydrophobicContact CZ2-CB 4.49Å; W138-L166 HydrophobicContact CZ3-CB 3.76Å; W138-L166 HydrophobicContact CZ3-CD1 3.67Å; W138-L166 HydrophobicContact CZ3-CG 3.88Å
139R93.9Very high96.2Very high156 Ų15662 Ų6259%0.58928%0.284SS*.Hα-helixtrans-91.9-13.4-178.4-63.5176.9-179.5171.83.8114.2Q117 L136 S137Q117-R139 VanDerWaalsContact OE1-CZ 3.22Å; L136-R139 PolarHBondContact O-N 3.49Å; S137-R139 PolarHBondContact O-N 3.28Å
140E95.1Very high96.3Very high45 Ų4559 Ų5921%0.2126%0.264CS..  trans-58.5142.8179.1-18051.7-106.600109.5L136 S137 N142 E145 R146 K149L136-E140 PolarHBondContact O-N 3.16Å; S137-E140 PolarHBondContact O-N 2.82Å; E140-N142 WeakPolarHBondContact CG-O 3.33Å; E140-N142 PolarHBondContact OE1-N 3.27Å; E140-E145 HydrophobicContact CG-CB 3.99Å; E140-R146 HydrophobicContact CB-CB 4.11Å; E140-R146 HydrophobicContact CB-CG 4.16Å; E140-R146 HydrophobicContact CG-CB 3.93Å; E140-R146 PolarHBondContact O-NH1 3.49Å; E140-R146 PolarHBondContact O-NH2 3.02Å; E140-K149 IonicContact OE2-NZ 3.49Å; E140-K149 PolarHBondContact OE2-NZ 3.48Å
141R92Very high96.3Very high182 Ų18262.8 Ų62.869%0.68728%0.28SS*.  trans-100.6-37.1179.4-68.9-175.4176.9176.80.5111.2H143R141-H143 PolarHBondContact O-N 2.72Å
142N93.4Very high96.3Very high79 Ų7966.5 Ų66.542%0.42230%0.298SS..SBendtrans-74.2119.8178.2-178.5-58.1000109.3E140 E144 E145 R146E140-N142 WeakPolarHBondContact CG-O 3.33Å; E140-N142 PolarHBondContact OE1-N 3.27Å; N142-E144 PolarHBondContact O-N 3.13Å; N142-E144 WeakPolarHBondContact OD1-CB 3.36Å; N142-E144 PolarHBondContact OD1-N 2.86Å; N142-E145 HydrophobicContact CB-CB 4.11Å; N142-E145 HydrophobicContact CB-CG 4.32Å; N142-E145 PolarHBondContact O-N 3.38Å; N142-E145 PolarHBondContact OD1-N 2.81Å; N142-R146 WeakPolarHBondContact O-CB 3.21Å; N142-R146 PolarHBondContact O-N 3.2Å
143H92.9Very high96.4Very high37 Ų3762.2 Ų62.217%0.17128%0.278CS..Hα-helixtrans-59.2-42.1-177.8171.689.2000113.7R93 R141 R146 I147 E170R93-H143 PolarHBondContact NE-NE2 2.82Å; R93-H143 PolarHBondContact NH1-CD2 3.46Å; R93-H143 VanDerWaalsContact NH1-CD2 3.3Å; R93-H143 PolarHBondContact NH1-NE2 2.81Å; R93-H143 PolarHBondContact NH2-CD2 3.3Å; R93-H143 PolarHBondContact NH2-NE2 2.81Å; R141-H143 PolarHBondContact O-N 2.72Å; H143-R146 WeakPolarHBondContact O-CB 3.36Å; H143-R146 PolarHBondContact O-N 3.07Å; H143-I147 VanDerWaalsContact CE1-CD1 3.47Å; H143-I147 WeakPolarHBondContact CE1-CD1 3.43Å; H143-I147 WeakPolarHBondContact NE2-CD1 3.1Å; H143-I147 PolarHBondContact O-N 2.91Å; H143-E170 PolarHBondContact CE1-O 2.72Å; H143-E170 IonicContact CE1-OE2 3.47Å; H143-E170 IonicContact ND1-OE2 3.75Å; H143-E170 PolarHBondContact ND1-OE2 3.5Å
144E95.8Very high96.4Very high136 Ų13662.2 Ų62.264%0.63628%0.278SS*.Hα-helixtrans-67.9-43.9-177.9-63.5179.7174.300111N142 R146 I147 K148N142-E144 PolarHBondContact O-N 3.13Å; N142-E144 WeakPolarHBondContact OD1-CB 3.36Å; N142-E144 PolarHBondContact OD1-N 2.86Å; E144-R146 VanDerWaalsContact C-N 3.29Å; E144-R146 PolarHBondContact O-N 2.77Å; E144-I147 PolarHBondContact O-N 3.13Å; E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 PolarHBondContact O-N 3.35Å
145E97.2Very high96.4Very high74 Ų7466 Ų6635%0.34631%0.31SS..Hα-helixtrans-64.5-34.6173.5-71.9-61.7131.400111.8E140 N142 K148 K149E140-E145 HydrophobicContact CG-CB 3.99Å; N142-E145 HydrophobicContact CB-CB 4.11Å; N142-E145 HydrophobicContact CB-CG 4.32Å; N142-E145 PolarHBondContact O-N 3.38Å; N142-E145 PolarHBondContact OD1-N 2.81Å; E145-K148 PolarHBondContact O-N 3.39Å; E145-K148 IonicContact OE1-NZ 3.05Å; E145-K148 IonicContact OE2-NZ 3.55Å; E145-K149 WeakPolarHBondContact O-CB 3.43Å; E145-K149 VanDerWaalsContact O-CG 3.29Å; E145-K149 WeakPolarHBondContact O-CG 3.38Å; E145-K149 PolarHBondContact O-N 2.93Å
146R96.9Very high96.5Very high16 Ų1669.4 Ų69.46%0.0632%0.323CS..Hα-helixtrans-61.3-49.7175.4-162.4-160-53.1-80.7-9.3111.3S137 W138 E140 N142 H143 E144 T150 L166 E170S137-R146 VanDerWaalsContact O-CG 3.23Å; S137-R146 WeakPolarHBondContact O-CG 3.14Å; S137-R146 PolarHBondContact O-NH1 3.26Å; W138-R146 PolarHBondContact O-NH1 2.9Å; E140-R146 HydrophobicContact CB-CB 4.11Å; E140-R146 HydrophobicContact CB-CG 4.16Å; E140-R146 HydrophobicContact CG-CB 3.93Å; E140-R146 PolarHBondContact O-NH1 3.49Å; E140-R146 PolarHBondContact O-NH2 3.02Å; N142-R146 WeakPolarHBondContact O-CB 3.21Å; N142-R146 PolarHBondContact O-N 3.2Å; H143-R146 WeakPolarHBondContact O-CB 3.36Å; H143-R146 PolarHBondContact O-N 3.07Å; E144-R146 VanDerWaalsContact C-N 3.29Å; E144-R146 PolarHBondContact O-N 2.77Å; R146-T150 WeakPolarHBondContact O-CB 3.47Å; R146-T150 PolarHBondContact O-N 3.15Å; R146-T150 PolarHBondContact O-OG1 3.45Å; R146-L166 HydrophobicContact CG-CD1 4Å; R146-L166 HydrophobicContact CG-CD2 4.2Å; R146-E170 WeakPolarHBondContact CD-OE1 3.06Å; R146-E170 VanDerWaalsContact CD-OE2 3.26Å; R146-E170 WeakPolarHBondContact CD-OE2 3.49Å; R146-E170 IonicContact CZ-OE1 3.73Å; R146-E170 IonicContact NE-OE1 3.14Å; R146-E170 PolarHBondContact NE-OE1 3.14Å; R146-E170 VanDerWaalsContact NE-OE1 3.11Å; R146-E170 IonicContact NE-OE2 3.69Å; R146-E170 PolarHBondContact NE-OE2 3.43Å; R146-E170 VanDerWaalsContact NE-OE2 3.07Å
147I98.1Very high96.7Very high18 Ų1866.2 Ų66.29%0.09231%0.307CS..Hα-helixtrans-62.5-45.2177-71.2-177000110.5H143 E144 K149 T150 K151 L167 E170 E171H143-I147 VanDerWaalsContact CE1-CD1 3.47Å; H143-I147 WeakPolarHBondContact CE1-CD1 3.43Å; H143-I147 WeakPolarHBondContact NE2-CD1 3.1Å; H143-I147 PolarHBondContact O-N 2.91Å; E144-I147 PolarHBondContact O-N 3.13Å; I147-K149 PolarHBondContact O-N 3.35Å; I147-T150 WeakPolarHBondContact O-CB 3.23Å; I147-T150 PolarHBondContact O-N 2.97Å; I147-K151 HydrophobicContact CG2-CD 4.14Å; I147-K151 HydrophobicContact CG2-CG 4.48Å; I147-K151 WeakPolarHBondContact O-CG 3.48Å; I147-K151 PolarHBondContact O-N 3.34Å; I147-L167 HydrophobicContact CG2-CD2 4.19Å; I147-E170 HydrophobicContact CG1-CB 4.49Å; I147-E171 HydrophobicContact CD1-CB 3.92Å; I147-E171 HydrophobicContact CD1-CG 4.36Å
148K98.3Very high96.7Very high106 Ų10670.5 Ų70.546%0.46134%0.335SS..Hα-helixtrans-57.5-51.5179.9-177.8-173.9170.4-167.60111.7E144 E145 T150 K151 E152E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 PolarHBondContact O-N 3.35Å; E145-K148 PolarHBondContact O-N 3.39Å; E145-K148 IonicContact OE1-NZ 3.05Å; E145-K148 IonicContact OE2-NZ 3.55Å; K148-T150 VanDerWaalsContact C-N 3.3Å; K148-T150 PolarHBondContact O-N 3.38Å; K148-K151 WeakPolarHBondContact O-CB 3.41Å; K148-K151 PolarHBondContact O-N 3.25Å; K148-K151 VanDerWaalsContact O-N 3.16Å; K148-E152 WeakPolarHBondContact O-CG 3.33Å; K148-E152 PolarHBondContact O-N 2.9Å
149K98.1Very high96.8Very high54 Ų5474.7 Ų74.724%0.23536%0.355CS..Hα-helixtrans-60.3-39.5176.5-69.1173.1-179.4177.50112.1I133 S137 E140 E145 I147 K151 E152 A153I133-K149 HydrophobicContact CG2-CB 4.21Å; I133-K149 WeakPolarHBondContact CG2-O 3.11Å; S137-K149 WeakPolarHBondContact OG-CB 2.9Å; E140-K149 IonicContact OE2-NZ 3.49Å; E140-K149 PolarHBondContact OE2-NZ 3.48Å; E145-K149 WeakPolarHBondContact O-CB 3.43Å; E145-K149 VanDerWaalsContact O-CG 3.29Å; E145-K149 WeakPolarHBondContact O-CG 3.38Å; E145-K149 PolarHBondContact O-N 2.93Å; I147-K149 PolarHBondContact O-N 3.35Å; K149-K151 VanDerWaalsContact C-N 3.33Å; K149-K151 PolarHBondContact O-N 2.89Å; K149-E152 WeakPolarHBondContact O-CB 3.44Å; K149-E152 PolarHBondContact O-N 3.48Å; K149-E152 VanDerWaalsContact O-N 3.15Å; K149-A153 PolarHBondContact O-N 2.95Å
150T98.4Very high97Very high0 Ų067.3 Ų67.30%033%0.327CS..Hα-helixtrans-62.8-39.9176.8-54.30000112.2M134 R146 I147 K148 E152 A153 L154 A163 L166 L167M134-T150 HydrophobicContact CE-CG2 4.49Å; M134-T150 HydrophobicContact SD-CG2 3.96Å; R146-T150 WeakPolarHBondContact O-CB 3.47Å; R146-T150 PolarHBondContact O-N 3.15Å; R146-T150 PolarHBondContact O-OG1 3.45Å; I147-T150 WeakPolarHBondContact O-CB 3.23Å; I147-T150 PolarHBondContact O-N 2.97Å; K148-T150 VanDerWaalsContact C-N 3.3Å; K148-T150 PolarHBondContact O-N 3.38Å; T150-E152 VanDerWaalsContact C-N 3.33Å; T150-A153 WeakPolarHBondContact O-CB 3.09Å; T150-A153 PolarHBondContact O-N 2.91Å; T150-L154 PolarHBondContact O-N 3.34Å; T150-L154 VanDerWaalsContact O-N 3.13Å; T150-A163 HydrophobicContact CG2-CB 3.85Å; T150-A163 VanDerWaalsContact CG2-O 3.23Å; T150-A163 WeakPolarHBondContact CG2-O 3.41Å; T150-L166 HydrophobicContact CG2-CB 3.96Å; T150-L166 HydrophobicContact CG2-CD1 4.45Å; T150-L166 HydrophobicContact CG2-CD2 4.03Å; T150-L166 HydrophobicContact CG2-CG 4.36Å; T150-L166 VanDerWaalsContact OG1-CD1 3.29Å; T150-L166 WeakPolarHBondContact OG1-CD1 3.43Å; T150-L166 VanDerWaalsContact OG1-CD2 3.22Å; T150-L166 WeakPolarHBondContact OG1-CD2 3.47Å; T150-L167 HydrophobicContact CG2-CD2 3.66Å; T150-L167 HydrophobicContact CG2-CG 3.71Å
151K98.5Very high97.1Very high99 Ų9965.3 Ų65.343%0.4332%0.318SS..Hα-helixtrans-65.8-36.6174.3-71.2177.3177179.10111.9I147 K148 K149 A153 L154 A155 L167 E171I147-K151 HydrophobicContact CG2-CD 4.14Å; I147-K151 HydrophobicContact CG2-CG 4.48Å; I147-K151 WeakPolarHBondContact O-CG 3.48Å; I147-K151 PolarHBondContact O-N 3.34Å; K148-K151 WeakPolarHBondContact O-CB 3.41Å; K148-K151 PolarHBondContact O-N 3.25Å; K148-K151 VanDerWaalsContact O-N 3.16Å; K149-K151 VanDerWaalsContact C-N 3.33Å; K149-K151 PolarHBondContact O-N 2.89Å; K151-A153 VanDerWaalsContact C-N 3.33Å; K151-L154 PolarHBondContact O-N 3.13Å; K151-A155 PolarHBondContact O-N 3.22Å; K151-L167 HydrophobicContact CG-CD1 4.36Å; K151-L167 HydrophobicContact CG-CD2 4.26Å; K151-E171 WeakPolarHBondContact CE-OE1 3.46Å; K151-E171 IonicContact NZ-OE1 2.85Å; K151-E171 PolarHBondContact NZ-OE1 3.34Å
152E98.2Very high97.4Very high92 Ų9256.8 Ų56.843%0.4329%0.286SS..Hα-helixtrans-62.2-40.1172.7-67.5171.4-164.500111.6I133 K148 K149 T150 A155 K156I133-E152 HydrophobicContact CD1-CB 4.49Å; K148-E152 WeakPolarHBondContact O-CG 3.33Å; K148-E152 PolarHBondContact O-N 2.9Å; K149-E152 WeakPolarHBondContact O-CB 3.44Å; K149-E152 PolarHBondContact O-N 3.48Å; K149-E152 VanDerWaalsContact O-N 3.15Å; T150-E152 VanDerWaalsContact C-N 3.33Å; E152-A155 WeakPolarHBondContact O-CB 3.47Å; E152-A155 PolarHBondContact O-N 3.06Å; E152-K156 WeakPolarHBondContact O-CG 3.13Å; E152-K156 PolarHBondContact O-N 3.28Å
153A98.4Very high97.7Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-61-45174.400000112.3E130 I133 M134 K149 T150 K151 A155 K156 N157 A163E130-A153 HydrophobicContact CB-CB 4.38Å; E130-A153 WeakPolarHBondContact CB-O 3.34Å; I133-A153 HydrophobicContact CB-CB 4.02Å; I133-A153 HydrophobicContact CG2-CB 3.85Å; M134-A153 HydrophobicContact CG-CB 3.95Å; M134-A153 HydrophobicContact SD-CB 4.02Å; K149-A153 PolarHBondContact O-N 2.95Å; T150-A153 WeakPolarHBondContact O-CB 3.09Å; T150-A153 PolarHBondContact O-N 2.91Å; K151-A153 VanDerWaalsContact C-N 3.33Å; A153-A155 VanDerWaalsContact C-N 3.3Å; A153-A155 PolarHBondContact O-N 3.05Å; A153-K156 WeakPolarHBondContact O-CB 3.32Å; A153-K156 PolarHBondContact O-N 3.18Å; A153-K156 VanDerWaalsContact O-N 3.09Å; A153-N157 PolarHBondContact O-N 3.34Å; A153-A163 HydrophobicContact CB-CB 4.31Å
154L98.2Very high97.9Very high32 Ų3251.6 Ų51.617%0.16826%0.259CS..Hα-helixtrans-66.6-29.8176-77.1167.9000113.2T150 K151 K156 N157 P158 C160 A163 M164 L167T150-L154 PolarHBondContact O-N 3.34Å; T150-L154 VanDerWaalsContact O-N 3.13Å; K151-L154 PolarHBondContact O-N 3.13Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.22Å; L154-N157 CarbonylContact O-C 3.49Å; L154-N157 PolarHBondContact O-N 3.16Å; L154-P158 WeakPolarHBondContact O-CA 3.26Å; L154-P158 VanDerWaalsContact O-N 3.12Å; L154-C160 HydrophobicContact CD2-CB 4.13Å; L154-A163 HydrophobicContact CD1-CB 4.21Å; L154-A163 HydrophobicContact CD2-CB 3.94Å; L154-A163 HydrophobicContact CG-CB 3.66Å; L154-M164 HydrophobicContact CD2-CE 4.11Å; L154-M164 HydrophobicContact CD2-CG 3.95Å; L154-L167 HydrophobicContact CD1-CD1 3.37Å; L154-L167 HydrophobicContact CD1-CG 4.25Å
155A98.2Very high98.1Very high82 Ų8245.1 Ų45.168%0.67823%0.229SC*.Hα-helixtrans-68.1-27.2172.600000112.3K151 E152 A153K151-A155 PolarHBondContact O-N 3.22Å; E152-A155 WeakPolarHBondContact O-CB 3.47Å; E152-A155 PolarHBondContact O-N 3.06Å; A153-A155 VanDerWaalsContact C-N 3.3Å; A153-A155 PolarHBondContact O-N 3.05Å
156K98.1Very high98.1Very high141 Ų14141.6 Ų41.661%0.61321%0.213SC*.Hα-helixtrans-77.7-41.5171.8-60.9-57.5-179.8-179.40112.2P129 E130 I133 E152 A153 L154P129-K156 HydrophobicContact CB-CB 4.34Å; P129-K156 HydrophobicContact CB-CG 4.16Å; E130-K156 HydrophobicContact CB-CB 4.3Å; I133-K156 HydrophobicContact CD1-CG 3.96Å; E152-K156 WeakPolarHBondContact O-CG 3.13Å; E152-K156 PolarHBondContact O-N 3.28Å; A153-K156 WeakPolarHBondContact O-CB 3.32Å; A153-K156 PolarHBondContact O-N 3.18Å; A153-K156 VanDerWaalsContact O-N 3.09Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.22Å
157N97.9Very high98.2Very high40 Ų4041.6 Ų41.621%0.21421%0.214CC..  trans-144.9105.5176.6-175.2-4.6000111.1E130 A153 L154 E159 C160E130-N157 HydrophobicContact CB-CB 3.87Å; E130-N157 HydrophobicContact CG-CB 3.69Å; E130-N157 PolarHBondContact OE1-ND2 2.93Å; A153-N157 PolarHBondContact O-N 3.34Å; L154-N157 CarbonylContact O-C 3.49Å; L154-N157 PolarHBondContact O-N 3.16Å; N157-E159 PolarHBondContact O-N 3.16Å; N157-E159 VanDerWaalsContact O-N 3.1Å; N157-E159 WeakPolarHBondContact OD1-CA 3.33Å; N157-E159 WeakPolarHBondContact OD1-CB 3.39Å; N157-E159 PolarHBondContact OD1-N 2.91Å; N157-C160 VanDerWaalsContact O-CB 3.28Å; N157-C160 WeakPolarHBondContact O-CB 3.31Å; N157-C160 PolarHBondContact O-N 2.7Å; N157-C160 VanDerWaalsContact O-N 3.09Å
158P97.8Very high98.2Very high90 Ų9040.8 Ų40.858%0.58421%0.21SC*.THydrogen-bonded Turntrans-63.4-13.9176.8-23.934.6000114.3L154 M164L154-P158 WeakPolarHBondContact O-CA 3.26Å; L154-P158 VanDerWaalsContact O-N 3.12Å; P158-M164 WeakPolarHBondContact O-CE 3.37Å
159E97.1Very high98.2Very high90 Ų9036.3 Ų36.342%0.42119%0.19SC..THydrogen-bonded Turntrans-95.620.2175.6-58.5-164.7145.700112.8N157 A161 V188 N192N157-E159 PolarHBondContact O-N 3.16Å; N157-E159 VanDerWaalsContact O-N 3.1Å; N157-E159 WeakPolarHBondContact OD1-CA 3.33Å; N157-E159 WeakPolarHBondContact OD1-CB 3.39Å; N157-E159 PolarHBondContact OD1-N 2.91Å; E159-A161 PolarHBondContact O-N 2.93Å; E159-A161 VanDerWaalsContact O-N 3.1Å; E159-V188 VanDerWaalsContact C-CG1 3.45Å; E159-V188 HydrophobicContact CB-CG1 3.92Å; E159-V188 WeakPolarHBondContact O-CG1 3.33Å; E159-N192 PolarHBondContact O-ND2 3.29Å
160C97.9Very high98.1Very high0 Ų034 Ų340%018%0.181CC..  trans-79.188.9173.9-168.80000111.4E130 L154 N157 T162 A163 M164E130-C160 HydrophobicContact CB-CB 4.33Å; E130-C160 HydrophobicContact CG-CB 4.16Å; L154-C160 HydrophobicContact CD2-CB 4.13Å; N157-C160 VanDerWaalsContact O-CB 3.28Å; N157-C160 WeakPolarHBondContact O-CB 3.31Å; N157-C160 PolarHBondContact O-N 2.7Å; N157-C160 VanDerWaalsContact O-N 3.09Å; C160-T162 PolarHBondContact O-N 3.44Å; C160-T162 PolarHBondContact SG-OG1 2.92Å; C160-T162 VanDerWaalsContact SG-OG1 3.36Å; C160-A163 HydrophobicContact CB-CB 3.97Å; C160-A163 PolarHBondContact O-N 3.22Å; C160-M164 PolarHBondContact O-N 2.75Å
161A98.3Very high98Very high4 Ų437.5 Ų37.53%0.03320%0.197CC..Hα-helixtrans-57-35.4-179.800000113.3E159 M164 I165 V188 A189 I220E159-A161 PolarHBondContact O-N 2.93Å; E159-A161 VanDerWaalsContact O-N 3.1Å; A161-M164 PolarHBondContact O-N 2.71Å; A161-I165 WeakPolarHBondContact O-CG1 3.19Å; A161-I165 PolarHBondContact O-N 3.22Å; A161-V188 HydrophobicContact CB-CG1 4.02Å; A161-A189 HydrophobicContact CB-CB 4.1Å; A161-I220 HydrophobicContact CB-CD1 4.47Å
162T98Very high98Very high3 Ų333.4 Ų33.42%0.01818%0.181CC..Hα-helixtrans-70.1-34.4-17958.80000112F120 Y131 W138 C160 I165 L166F120-T162 HydrophobicContact CB-CG2 3.69Å; F120-T162 HydrophobicContact CG-CG2 4.29Å; Y131-T162 HydrophobicContact CE1-CG2 4.38Å; W138-T162 WeakPolarHBondContact CZ2-O 3.34Å; C160-T162 PolarHBondContact O-N 3.44Å; C160-T162 PolarHBondContact SG-OG1 2.92Å; C160-T162 VanDerWaalsContact SG-OG1 3.36Å; T162-I165 WeakPolarHBondContact O-CB 3.48Å; T162-I165 PolarHBondContact O-N 2.86Å; T162-L166 PolarHBondContact O-N 3.45Å
163A98.5Very high97.9Very high0 Ų032.6 Ų32.60%019%0.185CC..Hα-helixtrans-67.5-39.717100000111.9M134 T150 A153 L154 C160 I165 L166 L167M134-A163 HydrophobicContact CE-CB 4.33Å; M134-A163 HydrophobicContact CG-CB 4.11Å; M134-A163 VanDerWaalsContact SD-CA 3.58Å; M134-A163 HydrophobicContact SD-CB 3.55Å; M134-A163 VanDerWaalsContact SD-CB 3.55Å; T150-A163 HydrophobicContact CG2-CB 3.85Å; T150-A163 VanDerWaalsContact CG2-O 3.23Å; T150-A163 WeakPolarHBondContact CG2-O 3.41Å; A153-A163 HydrophobicContact CB-CB 4.31Å; L154-A163 HydrophobicContact CD1-CB 4.21Å; L154-A163 HydrophobicContact CD2-CB 3.94Å; L154-A163 HydrophobicContact CG-CB 3.66Å; C160-A163 HydrophobicContact CB-CB 3.97Å; C160-A163 PolarHBondContact O-N 3.22Å; A163-I165 VanDerWaalsContact C-N 3.29Å; A163-I165 PolarHBondContact O-N 3.44Å; A163-L166 PolarHBondContact O-N 3.42Å; A163-L167 PolarHBondContact O-N 3.24Å; A163-L167 VanDerWaalsContact O-N 3.1Å
164M98.7Very high97.9Very high6 Ų639.8 Ų39.83%0.0321%0.213CC..Hα-helixtrans-63.3-34.2174.3-62.1-172.7-175.700112.7L154 P158 C160 A161 A168 Q184 A185 V188L154-M164 HydrophobicContact CD2-CE 4.11Å; L154-M164 HydrophobicContact CD2-CG 3.95Å; P158-M164 WeakPolarHBondContact O-CE 3.37Å; C160-M164 PolarHBondContact O-N 2.75Å; A161-M164 PolarHBondContact O-N 2.71Å; M164-A168 VanDerWaalsContact O-CB 3.32Å; M164-A168 WeakPolarHBondContact O-CB 3.2Å; M164-A168 PolarHBondContact O-N 2.65Å; M164-Q184 HydrophobicContact CE-CG 4.05Å; M164-Q184 HydrophobicContact SD-CB 4.4Å; M164-Q184 HydrophobicContact SD-CG 3.88Å; M164-A185 HydrophobicContact CB-CB 3.68Å; M164-A185 HydrophobicContact CG-CB 4.49Å; M164-A185 VanDerWaalsContact SD-CA 3.55Å; M164-A185 HydrophobicContact SD-CB 4.03Å; M164-V188 HydrophobicContact CE-CG2 3.93Å; M164-V188 HydrophobicContact SD-CG2 4.22Å
165I98.5Very high97.9Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-58.5-48.5173.2-71.4169.1000110.4F120 W138 A161 T162 A163 A168 E169 Y182 A216 F219 I220F120-I165 HydrophobicContact CD1-CD1 4.23Å; F120-I165 HydrophobicContact CE1-CD1 3.85Å; F120-I165 HydrophobicContact CE2-CD1 4.2Å; F120-I165 HydrophobicContact CE2-CG2 3.96Å; F120-I165 HydrophobicContact CZ-CD1 3.84Å; F120-I165 HydrophobicContact CZ-CG2 4.29Å; W138-I165 HydrophobicContact CH2-CG2 4.23Å; A161-I165 WeakPolarHBondContact O-CG1 3.19Å; A161-I165 PolarHBondContact O-N 3.22Å; T162-I165 WeakPolarHBondContact O-CB 3.48Å; T162-I165 PolarHBondContact O-N 2.86Å; A163-I165 VanDerWaalsContact C-N 3.29Å; A163-I165 PolarHBondContact O-N 3.44Å; I165-A168 PolarHBondContact O-N 3.28Å; I165-E169 HydrophobicContact CG2-CG 4.49Å; I165-E169 WeakPolarHBondContact O-CG 3.36Å; I165-E169 PolarHBondContact O-N 3.42Å; I165-Y182 HydrophobicContact CG1-CE1 4.33Å; I165-A216 HydrophobicContact CD1-CB 4.17Å; I165-F219 HydrophobicContact CD1-CD1 4.06Å; I165-F219 HydrophobicContact CG1-CD1 4.3Å; I165-F219 HydrophobicContact CG2-CD1 3.92Å; I165-F219 HydrophobicContact CG2-CE1 3.55Å; I165-I220 HydrophobicContact CD1-CD1 3.98Å; I165-I220 HydrophobicContact CD1-CG1 3.86Å; I165-I220 HydrophobicContact CG1-CD1 3.93Å; I165-I220 HydrophobicContact CG1-CG1 3.64Å
166L98.2Very high97.9Very high1 Ų138.9 Ų38.91%0.00520%0.199CC..Hα-helixtrans-64.1-45.2-178.4-167.9161000111.3M134 W138 R146 T150 T162 A163 A168 E169 E170M134-L166 HydrophobicContact CE-CB 4.12Å; M134-L166 HydrophobicContact CE-CD1 3.83Å; W138-L166 HydrophobicContact CD2-CD1 4.3Å; W138-L166 HydrophobicContact CE3-CD1 3.75Å; W138-L166 HydrophobicContact CE3-CG 4.42Å; W138-L166 HydrophobicContact CH2-CB 3.66Å; W138-L166 HydrophobicContact CH2-CD1 4.16Å; W138-L166 HydrophobicContact CH2-CG 4.29Å; W138-L166 HydrophobicContact CZ2-CB 4.49Å; W138-L166 HydrophobicContact CZ3-CB 3.76Å; W138-L166 HydrophobicContact CZ3-CD1 3.67Å; W138-L166 HydrophobicContact CZ3-CG 3.88Å; R146-L166 HydrophobicContact CG-CD1 4Å; R146-L166 HydrophobicContact CG-CD2 4.2Å; T150-L166 HydrophobicContact CG2-CB 3.96Å; T150-L166 HydrophobicContact CG2-CD1 4.45Å; T150-L166 HydrophobicContact CG2-CD2 4.03Å; T150-L166 HydrophobicContact CG2-CG 4.36Å; T150-L166 VanDerWaalsContact OG1-CD1 3.29Å; T150-L166 WeakPolarHBondContact OG1-CD1 3.43Å; T150-L166 VanDerWaalsContact OG1-CD2 3.22Å; T150-L166 WeakPolarHBondContact OG1-CD2 3.47Å; T162-L166 PolarHBondContact O-N 3.45Å; A163-L166 PolarHBondContact O-N 3.42Å; L166-A168 PolarHBondContact O-N 2.92Å; L166-E169 PolarHBondContact O-N 2.96Å; L166-E170 HydrophobicContact CD2-CB 4.31Å; L166-E170 HydrophobicContact CD2-CG 4.39Å; L166-E170 WeakPolarHBondContact O-CB 3.48Å; L166-E170 PolarHBondContact O-N 3.24Å
167L98.4Very high98Very high16 Ų1634.4 Ų34.48%0.08418%0.182CC..Hα-helixtrans-62-41.9176.3-65.1-169.7000112.4I147 T150 K151 L154 A163 E169 E170 E171I147-L167 HydrophobicContact CG2-CD2 4.19Å; T150-L167 HydrophobicContact CG2-CD2 3.66Å; T150-L167 HydrophobicContact CG2-CG 3.71Å; K151-L167 HydrophobicContact CG-CD1 4.36Å; K151-L167 HydrophobicContact CG-CD2 4.26Å; L154-L167 HydrophobicContact CD1-CD1 3.37Å; L154-L167 HydrophobicContact CD1-CG 4.25Å; A163-L167 PolarHBondContact O-N 3.24Å; A163-L167 VanDerWaalsContact O-N 3.1Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.06Å; L167-E170 PolarHBondContact O-N 2.9Å; L167-E171 HydrophobicContact CD2-CB 4.42Å; L167-E171 VanDerWaalsContact O-CB 3.32Å; L167-E171 WeakPolarHBondContact O-CB 3.29Å; L167-E171 PolarHBondContact O-N 2.88Å
168A98.5Very high98Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-62.6-38.4176.900000112.4M164 I165 L166 V181 Y182M164-A168 VanDerWaalsContact O-CB 3.32Å; M164-A168 WeakPolarHBondContact O-CB 3.2Å; M164-A168 PolarHBondContact O-N 2.65Å; I165-A168 PolarHBondContact O-N 3.28Å; L166-A168 PolarHBondContact O-N 2.92Å; A168-V181 HydrophobicContact CB-CB 3.96Å; A168-V181 HydrophobicContact CB-CG1 3.74Å; A168-Y182 HydrophobicContact CB-CD1 4.01Å; A168-Y182 HydrophobicContact CB-CD2 3.81Å; A168-Y182 HydrophobicContact CB-CE1 3.76Å; A168-Y182 HydrophobicContact CB-CE2 3.52Å; A168-Y182 HydrophobicContact CB-CG 4.02Å; A168-Y182 VanDerWaalsContact CB-CZ 3.49Å
169E97.6Very high98.1Very high12 Ų1229 Ų296%0.05615%0.148CC..Hα-helixtrans-72.7-41.2177.8-71.6-65.5175.900112.7F87 R88 G89 I165 L166 L167 Y182 F219 R223F87-E169 WeakPolarHBondContact CD1-OE2 3.25Å; R88-E169 CarbonylContact C-O 3.31Å; R88-E169 WeakPolarHBondContact CA-O 3.49Å; R88-E169 WeakPolarHBondContact CB-O 3.3Å; R88-E169 PolarHBondContact N-O 3.21Å; R88-E169 VanDerWaalsContact N-O 3.09Å; G89-E169 PolarHBondContact N-O 3.49Å; I165-E169 HydrophobicContact CG2-CG 4.49Å; I165-E169 WeakPolarHBondContact O-CG 3.36Å; I165-E169 PolarHBondContact O-N 3.42Å; L166-E169 PolarHBondContact O-N 2.96Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.06Å; E169-Y182 VanDerWaalsContact CG-OH 3.28Å; E169-Y182 WeakPolarHBondContact CG-OH 3.28Å; E169-Y182 PolarHBondContact OE1-OH 3.21Å; E169-F219 WeakPolarHBondContact OE1-CZ 3.49Å; E169-R223 VanDerWaalsContact CD-NH2 3.35Å; E169-R223 IonicContact OE1-CZ 2.79Å; E169-R223 VanDerWaalsContact OE1-CZ 3.27Å; E169-R223 IonicContact OE1-NE 3.74Å; E169-R223 PolarHBondContact OE1-NE 3.18Å; E169-R223 IonicContact OE1-NH2 2.7Å; E169-R223 PolarHBondContact OE1-NH2 3.28Å; E169-R223 VanDerWaalsContact OE1-NH2 3.12Å; E169-R223 IonicContact OE2-CZ 3.45Å; E169-R223 IonicContact OE2-NE 2.56Å; E169-R223 IonicContact OE2-NH2 2.71Å; E169-R223 PolarHBondContact OE2-NH2 3.35Å
170E96.3Very high98.1Very high7 Ų730.9 Ų30.93%0.03315%0.154CC..Hα-helixtrans-109.8-35.3-164-65.9-152.9-159.200115.2R88 G89 H143 R146 I147 L166 L167R88-E170 HydrophobicContact CB-CG 4.14Å; R88-E170 IonicContact CZ-OE1 2.68Å; R88-E170 IonicContact NH1-OE1 3.88Å; R88-E170 PolarHBondContact NH1-OE1 2.83Å; G89-E170 VanDerWaalsContact CA-O 3.31Å; G89-E170 WeakPolarHBondContact CA-O 3.44Å; H143-E170 PolarHBondContact CE1-O 2.72Å; H143-E170 IonicContact CE1-OE2 3.47Å; H143-E170 IonicContact ND1-OE2 3.75Å; H143-E170 PolarHBondContact ND1-OE2 3.5Å; R146-E170 WeakPolarHBondContact CD-OE1 3.06Å; R146-E170 VanDerWaalsContact CD-OE2 3.26Å; R146-E170 WeakPolarHBondContact CD-OE2 3.49Å; R146-E170 IonicContact CZ-OE1 3.73Å; R146-E170 IonicContact NE-OE1 3.14Å; R146-E170 PolarHBondContact NE-OE1 3.14Å; R146-E170 VanDerWaalsContact NE-OE1 3.11Å; R146-E170 IonicContact NE-OE2 3.69Å; R146-E170 PolarHBondContact NE-OE2 3.43Å; R146-E170 VanDerWaalsContact NE-OE2 3.07Å; I147-E170 HydrophobicContact CG1-CB 4.49Å; L166-E170 HydrophobicContact CD2-CB 4.31Å; L166-E170 HydrophobicContact CD2-CG 4.39Å; L166-E170 WeakPolarHBondContact O-CB 3.48Å; L166-E170 PolarHBondContact O-N 3.24Å; L167-E170 PolarHBondContact O-N 2.9Å
171E97.4Very high98.2Very high73 Ų7332.4 Ų32.434%0.34116%0.164SC..THydrogen-bonded Turntrans-84.3-40.8-173.1-178.8173.8-148.700112.5I147 K151 L167 S173I147-E171 HydrophobicContact CD1-CB 3.92Å; I147-E171 HydrophobicContact CD1-CG 4.36Å; K151-E171 WeakPolarHBondContact CE-OE1 3.46Å; K151-E171 IonicContact NZ-OE1 2.85Å; K151-E171 PolarHBondContact NZ-OE1 3.34Å; L167-E171 HydrophobicContact CD2-CB 4.42Å; L167-E171 VanDerWaalsContact O-CB 3.32Å; L167-E171 WeakPolarHBondContact O-CB 3.29Å; L167-E171 PolarHBondContact O-N 2.88Å; E171-S173 PolarHBondContact O-N 3.22Å
172C97.9Very high98.2Very high13 Ų1332.2 Ų32.29%0.08816%0.162CC..  trans-67128.3-173-67.60000111.9G89 A90 D177 V178G89-C172 CarbonylContact C-O 3.23Å; G89-C172 WeakPolarHBondContact CA-O 3.29Å; A90-C172 WeakPolarHBondContact CA-O 3.42Å; A90-C172 PolarHBondContact N-O 3.13Å; C172-D177 HydrophobicContact CB-CB 4.14Å; C172-V178 HydrophobicContact CB-CB 4.3Å; C172-V178 HydrophobicContact CB-CG2 3.45Å; C172-V178 VanDerWaalsContact CB-CG2 3.45Å
173S96.7Very high98.2Very high75 Ų7536.7 Ų36.752%0.52418%0.181SC..SBendtrans-86.8-16.7178-57.30000114A90 E171A90-S173 WeakPolarHBondContact CA-O 3.31Å; E171-S173 PolarHBondContact O-N 3.22Å
174Y98.1Very high98.2Very high151 Ų15142 Ų4259%0.59221%0.206SC*.SBendtrans-133.1146.3-178.2-55.7-81.1000111.5V176 D177 V178Y174-V176 PolarHBondContact O-N 3.41Å; Y174-V176 VanDerWaalsContact O-N 3.17Å; Y174-D177 PolarHBondContact O-N 2.81Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 2.95Å
175I98.5Very high98.2Very high29 Ų2941.7 Ų41.715%0.14920%0.204CC..Hα-helixtrans-58.1-32.3-179.8-56.5-58.4000112.5F87 A90 E91 D177 V178 E179 C227 K230 L231F87-I175 HydrophobicContact CB-CD1 4.48Å; F87-I175 HydrophobicContact CD2-CD1 3.46Å; F87-I175 VanDerWaalsContact CD2-CD1 3.46Å; F87-I175 HydrophobicContact CE2-CD1 4.03Å; F87-I175 HydrophobicContact CG-CD1 4.22Å; A90-I175 HydrophobicContact CB-CD1 3.86Å; E91-I175 HydrophobicContact CG-CD1 4.32Å; I175-D177 VanDerWaalsContact C-N 3.27Å; I175-D177 PolarHBondContact O-N 2.75Å; I175-V178 WeakPolarHBondContact O-CB 3.38Å; I175-V178 PolarHBondContact O-N 3.45Å; I175-E179 WeakPolarHBondContact O-CB 3.39Å; I175-E179 PolarHBondContact O-N 3.32Å; I175-C227 HydrophobicContact CG2-CB 4.15Å; I175-K230 HydrophobicContact CD1-CD 3.76Å; I175-K230 HydrophobicContact CG1-CD 4.14Å; I175-K230 HydrophobicContact CG2-CB 4.07Å; I175-L231 HydrophobicContact CB-CD2 4.34Å; I175-L231 HydrophobicContact CG2-CD1 4.24Å; I175-L231 HydrophobicContact CG2-CD2 4.08Å; I175-L231 HydrophobicContact CG2-CG 3.87Å
176V98.5Very high98.2Very high65 Ų6544.8 Ų44.839%0.39422%0.217SC..Hα-helixtrans-63.9-32.8175.3-68.70000112.6Y174 K180 L231Y174-V176 PolarHBondContact O-N 3.41Å; Y174-V176 VanDerWaalsContact O-N 3.17Å; V176-K180 VanDerWaalsContact O-CG 3.31Å; V176-K180 WeakPolarHBondContact O-CG 3.26Å; V176-K180 PolarHBondContact O-N 3.38Å; V176-L231 HydrophobicContact CG1-CD2 3.68Å
177D98.5Very high98.2Very high48 Ų4851.8 Ų51.826%0.25725%0.247SC..Hα-helixtrans-82.2-38.3178.4-58.4-42.2000110.8C172 Y174 I175 E179 K180 V181C172-D177 HydrophobicContact CB-CB 4.14Å; Y174-D177 PolarHBondContact O-N 2.81Å; I175-D177 VanDerWaalsContact C-N 3.27Å; I175-D177 PolarHBondContact O-N 2.75Å; D177-E179 VanDerWaalsContact C-N 3.27Å; D177-E179 PolarHBondContact O-N 3.21Å; D177-K180 PolarHBondContact O-N 2.94Å; D177-K180 VanDerWaalsContact O-N 3.16Å; D177-K180 IonicContact OD1-NZ 3.97Å; D177-K180 PolarHBondContact OD1-NZ 3.3Å; D177-V181 WeakPolarHBondContact O-CG2 3.27Å; D177-V181 PolarHBondContact O-N 2.85Å
178V98.8Very high98.2Very high0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-52.3-48.6167.8179.30000110.3F87 A90 C172 Y174 I175 K180 V181 Y182F87-V178 HydrophobicContact CD1-CG1 3.5Å; F87-V178 VanDerWaalsContact CD1-CG1 3.5Å; F87-V178 HydrophobicContact CD1-CG2 4.45Å; F87-V178 HydrophobicContact CE1-CG1 3.48Å; F87-V178 VanDerWaalsContact CE1-CG1 3.48Å; F87-V178 HydrophobicContact CG-CG1 4.13Å; F87-V178 HydrophobicContact CG-CG2 4.43Å; F87-V178 HydrophobicContact CZ-CG1 4.07Å; A90-V178 HydrophobicContact CB-CG2 4.06Å; C172-V178 HydrophobicContact CB-CB 4.3Å; C172-V178 HydrophobicContact CB-CG2 3.45Å; C172-V178 VanDerWaalsContact CB-CG2 3.45Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 2.95Å; I175-V178 WeakPolarHBondContact O-CB 3.38Å; I175-V178 PolarHBondContact O-N 3.45Å; V178-K180 PolarHBondContact O-N 3.4Å; V178-V181 PolarHBondContact O-N 2.77Å; V178-Y182 HydrophobicContact CG1-CD2 3.63Å; V178-Y182 HydrophobicContact CG1-CE2 3.53Å; V178-Y182 WeakPolarHBondContact O-CD2 3.33Å; V178-Y182 PolarHBondContact O-N 3.32Å
179E98.7Very high98.2Very high17 Ų1752 Ų528%0.07925%0.249CC..Hα-helixtrans-60.7-43.5178.6-169.5-169-17600112.2I175 D177 Y182 K183 L224 C227 L231 K233I175-E179 WeakPolarHBondContact O-CB 3.39Å; I175-E179 PolarHBondContact O-N 3.32Å; D177-E179 VanDerWaalsContact C-N 3.27Å; D177-E179 PolarHBondContact O-N 3.21Å; E179-Y182 PolarHBondContact O-N 3.43Å; E179-K183 HydrophobicContact CG-CD 4.37Å; E179-K183 WeakPolarHBondContact O-CG 3.5Å; E179-K183 PolarHBondContact O-N 2.8Å; E179-K183 WeakPolarHBondContact OE1-CE 3.43Å; E179-K183 IonicContact OE1-NZ 3.54Å; E179-K183 PolarHBondContact OE1-NZ 3.07Å; E179-K183 IonicContact OE2-NZ 3.61Å; E179-L224 HydrophobicContact CG-CD2 4.13Å; E179-C227 HydrophobicContact CB-CB 4.03Å; E179-C227 HydrophobicContact CG-CB 4.18Å; E179-L231 HydrophobicContact CB-CD1 4.41Å; E179-L231 WeakPolarHBondContact OE2-CD1 3.41Å; E179-K233 IonicContact OE1-NZ 2.76Å; E179-K233 PolarHBondContact OE1-NZ 3.28Å; E179-K233 IonicContact OE2-NZ 2.71Å; E179-K233 PolarHBondContact OE2-NZ 3.4Å; E179-K233 VanDerWaalsContact OE2-NZ 3.14Å
180K98.6Very high98.3Very high129 Ų12953.8 Ų53.856%0.56126%0.257SS*.Hα-helixtrans-60.4-47.9178.7-72168.2-162.5159.90111.4V176 D177 V178 K183 Q184V176-K180 VanDerWaalsContact O-CG 3.31Å; V176-K180 WeakPolarHBondContact O-CG 3.26Å; V176-K180 PolarHBondContact O-N 3.38Å; D177-K180 PolarHBondContact O-N 2.94Å; D177-K180 VanDerWaalsContact O-N 3.16Å; D177-K180 IonicContact OD1-NZ 3.97Å; D177-K180 PolarHBondContact OD1-NZ 3.3Å; V178-K180 PolarHBondContact O-N 3.4Å; K180-K183 PolarHBondContact O-N 2.68Å; K180-Q184 PolarHBondContact O-N 3.28Å
181V98.6Very high98.4Very high32 Ų3256.6 Ų56.619%0.19428%0.275CS..Hα-helixtrans-64.1-43.2179.4-178.60000110.4A168 D177 V178 K183 Q184 A185A168-V181 HydrophobicContact CB-CB 3.96Å; A168-V181 HydrophobicContact CB-CG1 3.74Å; D177-V181 WeakPolarHBondContact O-CG2 3.27Å; D177-V181 PolarHBondContact O-N 2.85Å; V178-V181 PolarHBondContact O-N 2.77Å; V181-K183 VanDerWaalsContact C-N 3.33Å; V181-K183 PolarHBondContact O-N 3.03Å; V181-Q184 WeakPolarHBondContact O-CB 3.43Å; V181-Q184 PolarHBondContact O-N 3.31Å; V181-Q184 VanDerWaalsContact O-N 3.14Å; V181-A185 PolarHBondContact O-N 3.12Å
182Y98.8Very high98.4Very high0 Ų053.7 Ų53.70%026%0.262CS..Hα-helixtrans-66.6-30.7176.1-82.7-55.1000114.2F87 I165 A168 E169 V178 E179 Q184 A185 Y186 I220 R223 L224F87-Y182 HydrophobicContact CD1-CE2 4.42Å; F87-Y182 AromaticContact CE1-CE2 3.78Å; F87-Y182 HydrophobicContact CE1-CE2 3.78Å; I165-Y182 HydrophobicContact CG1-CE1 4.33Å; A168-Y182 HydrophobicContact CB-CD1 4.01Å; A168-Y182 HydrophobicContact CB-CD2 3.81Å; A168-Y182 HydrophobicContact CB-CE1 3.76Å; A168-Y182 HydrophobicContact CB-CE2 3.52Å; A168-Y182 HydrophobicContact CB-CG 4.02Å; A168-Y182 VanDerWaalsContact CB-CZ 3.49Å; E169-Y182 VanDerWaalsContact CG-OH 3.28Å; E169-Y182 WeakPolarHBondContact CG-OH 3.28Å; E169-Y182 PolarHBondContact OE1-OH 3.21Å; V178-Y182 HydrophobicContact CG1-CD2 3.63Å; V178-Y182 HydrophobicContact CG1-CE2 3.53Å; V178-Y182 WeakPolarHBondContact O-CD2 3.33Å; V178-Y182 PolarHBondContact O-N 3.32Å; E179-Y182 PolarHBondContact O-N 3.43Å; Y182-Q184 VanDerWaalsContact C-N 3.29Å; Y182-Q184 PolarHBondContact O-N 3.49Å; Y182-A185 HydrophobicContact CD1-CB 4.42Å; Y182-A185 PolarHBondContact O-N 3.35Å; Y182-Y186 VanDerWaalsContact O-CB 3.25Å; Y182-Y186 WeakPolarHBondContact O-CB 3.45Å; Y182-Y186 PolarHBondContact O-N 3.31Å; Y182-I220 HydrophobicContact CD1-CB 4.33Å; Y182-I220 HydrophobicContact CD1-CG1 4.09Å; Y182-I220 HydrophobicContact CD1-CG2 3.98Å; Y182-I220 HydrophobicContact CE1-CG1 4.26Å; Y182-R223 HydrophobicContact CD1-CB 4.5Å; Y182-R223 HydrophobicContact CD2-CB 4.07Å; Y182-R223 HydrophobicContact CE1-CB 4.06Å; Y182-R223 HydrophobicContact CE1-CG 4.47Å; Y182-R223 HydrophobicContact CE2-CB 3.6Å; Y182-R223 HydrophobicContact CE2-CG 4.34Å; Y182-L224 VanDerWaalsContact CB-CD2 3.45Å
183K98.7Very high98.4Very high96 Ų9653.6 Ų53.642%0.41726%0.26SS..Hα-helixtrans-64.8-35.4172.5-79.7177.4179.1166.80111.8E179 K180 V181 L224E179-K183 HydrophobicContact CG-CD 4.37Å; E179-K183 WeakPolarHBondContact O-CG 3.5Å; E179-K183 PolarHBondContact O-N 2.8Å; E179-K183 WeakPolarHBondContact OE1-CE 3.43Å; E179-K183 IonicContact OE1-NZ 3.54Å; E179-K183 PolarHBondContact OE1-NZ 3.07Å; E179-K183 IonicContact OE2-NZ 3.61Å; K180-K183 PolarHBondContact O-N 2.68Å; V181-K183 VanDerWaalsContact C-N 3.33Å; V181-K183 PolarHBondContact O-N 3.03Å; K183-L224 HydrophobicContact CG-CD2 3.93Å
184Q98.4Very high98.4Very high111 Ų11156.8 Ų56.852%0.51926%0.261SS..Hα-helixtrans-68.6-48.6171.6-175.2179.7-900110.8M164 K180 V181 Y182 Y186 K187 V188M164-Q184 HydrophobicContact CE-CG 4.05Å; M164-Q184 HydrophobicContact SD-CB 4.4Å; M164-Q184 HydrophobicContact SD-CG 3.88Å; K180-Q184 PolarHBondContact O-N 3.28Å; V181-Q184 WeakPolarHBondContact O-CB 3.43Å; V181-Q184 PolarHBondContact O-N 3.31Å; V181-Q184 VanDerWaalsContact O-N 3.14Å; Y182-Q184 VanDerWaalsContact C-N 3.29Å; Y182-Q184 PolarHBondContact O-N 3.49Å; Q184-Y186 PolarHBondContact O-N 2.81Å; Q184-K187 PolarHBondContact O-N 2.56Å; Q184-V188 PolarHBondContact O-N 2.83Å
185A98.7Very high98.4Very high0 Ų055.6 Ų55.60%026%0.255CS..Hα-helixtrans-57.2-37.9177.500000112.2M164 V181 Y182 V188 A189 I220M164-A185 HydrophobicContact CB-CB 3.68Å; M164-A185 HydrophobicContact CG-CB 4.49Å; M164-A185 VanDerWaalsContact SD-CA 3.55Å; M164-A185 HydrophobicContact SD-CB 4.03Å; V181-A185 PolarHBondContact O-N 3.12Å; Y182-A185 HydrophobicContact CD1-CB 4.42Å; Y182-A185 PolarHBondContact O-N 3.35Å; A185-V188 PolarHBondContact O-N 3.08Å; A185-A189 VanDerWaalsContact O-CB 3.22Å; A185-A189 WeakPolarHBondContact O-CB 3.27Å; A185-A189 PolarHBondContact O-N 2.66Å; A185-I220 HydrophobicContact CB-CD1 3.82Å; A185-I220 HydrophobicContact CB-CG1 4.23Å; A185-I220 HydrophobicContact CB-CG2 4.34Å
186Y98.7Very high98.3Very high66 Ų6654.4 Ų54.426%0.25925%0.25SC..Hα-helixtrans-60.3-47.1178.4174.2-104.3000112.2Y182 Q184 V188 A189 E190 F217 R221 L224Y182-Y186 VanDerWaalsContact O-CB 3.25Å; Y182-Y186 WeakPolarHBondContact O-CB 3.45Å; Y182-Y186 PolarHBondContact O-N 3.31Å; Q184-Y186 PolarHBondContact O-N 2.81Å; Y186-V188 VanDerWaalsContact C-N 3.32Å; Y186-V188 PolarHBondContact O-N 2.88Å; Y186-A189 PolarHBondContact O-N 3.1Å; Y186-E190 VanDerWaalsContact O-CB 3.28Å; Y186-E190 WeakPolarHBondContact O-CB 3.49Å; Y186-E190 PolarHBondContact O-N 3.42Å; Y186-F217 HydrophobicContact CD2-CD2 4.45Å; Y186-F217 AromaticContact CD2-CE2 3.96Å; Y186-F217 HydrophobicContact CD2-CE2 3.96Å; Y186-F217 HydrophobicContact CE2-CD2 4.27Å; Y186-F217 AromaticContact CE2-CE2 3.39Å; Y186-F217 HydrophobicContact CE2-CE2 3.39Å; Y186-F217 AromaticContact CE2-CZ 3.8Å; Y186-F217 HydrophobicContact CE2-CZ 3.8Å; Y186-R221 HydrophobicContact CD2-CG 3.7Å; Y186-R221 HydrophobicContact CE2-CG 3.52Å; Y186-L224 HydrophobicContact CD2-CD1 4.41Å; Y186-L224 HydrophobicContact CG-CD1 4.2Å
187K98.5Very high98.2Very high148 Ų14855.9 Ų55.964%0.64325%0.252SS*.Hα-helixtrans-61.2-42.7178.1-66.7176.9-179.9-178.50111.7Q184 T191Q184-K187 PolarHBondContact O-N 2.56Å; K187-T191 PolarHBondContact O-N 3.39Å; K187-T191 PolarHBondContact O-OG1 3.48Å
188V98.6Very high98.1Very high18 Ų1860.8 Ų60.811%0.10927%0.274CS..Hα-helixtrans-67.2-48.1178.5175.40000110.9E159 A161 M164 Q184 A185 Y186 E190 T191 N192E159-V188 VanDerWaalsContact C-CG1 3.45Å; E159-V188 HydrophobicContact CB-CG1 3.92Å; E159-V188 WeakPolarHBondContact O-CG1 3.33Å; A161-V188 HydrophobicContact CB-CG1 4.02Å; M164-V188 HydrophobicContact CE-CG2 3.93Å; M164-V188 HydrophobicContact SD-CG2 4.22Å; Q184-V188 PolarHBondContact O-N 2.83Å; A185-V188 PolarHBondContact O-N 3.08Å; Y186-V188 VanDerWaalsContact C-N 3.32Å; Y186-V188 PolarHBondContact O-N 2.88Å; V188-E190 VanDerWaalsContact C-N 3.32Å; V188-E190 PolarHBondContact O-N 3.01Å; V188-T191 PolarHBondContact O-N 2.89Å; V188-N192 VanDerWaalsContact O-CG 3.3Å; V188-N192 PolarHBondContact O-N 3.36Å
189A98.4Very high97.9Very high1 Ų163.6 Ų63.61%0.00829%0.288CS..Hα-helixtrans-63.5-36.9179.300000112.4A161 A185 Y186 N192 L193 F217 I220A161-A189 HydrophobicContact CB-CB 4.1Å; A185-A189 VanDerWaalsContact O-CB 3.22Å; A185-A189 WeakPolarHBondContact O-CB 3.27Å; A185-A189 PolarHBondContact O-N 2.66Å; Y186-A189 PolarHBondContact O-N 3.1Å; A189-N192 PolarHBondContact O-N 2.8Å; A189-L193 WeakPolarHBondContact O-CB 3.26Å; A189-L193 PolarHBondContact O-N 3.22Å; A189-F217 HydrophobicContact CB-CB 4.4Å; A189-F217 HydrophobicContact CB-CD2 4.26Å; A189-I220 HydrophobicContact CB-CD1 3.56Å
190E98.2Very high97.6Very high51 Ų5165 Ų6524%0.23830%0.295CS..Hα-helixtrans-62.9-46.1174.8-173.5175.3-151.200111.7Y186 V188 L193 R194 F217Y186-E190 VanDerWaalsContact O-CB 3.28Å; Y186-E190 WeakPolarHBondContact O-CB 3.49Å; Y186-E190 PolarHBondContact O-N 3.42Å; V188-E190 VanDerWaalsContact C-N 3.32Å; V188-E190 PolarHBondContact O-N 3.01Å; E190-L193 PolarHBondContact O-N 2.79Å; E190-R194 VanDerWaalsContact O-CG 3.31Å; E190-R194 WeakPolarHBondContact O-CG 3.29Å; E190-R194 PolarHBondContact O-N 3.02Å; E190-R194 IonicContact OE1-CZ 3.37Å; E190-R194 IonicContact OE1-NE 3.83Å; E190-R194 IonicContact OE1-NH2 3.81Å; E190-R194 PolarHBondContact OE1-NH2 3.25Å; E190-R194 IonicContact OE2-NH2 3.87Å; E190-F217 HydrophobicContact CB-CD2 4.39Å; E190-F217 HydrophobicContact CB-CE2 3.92Å; E190-F217 HydrophobicContact CG-CE2 4.24Å
191T98.2Very high97.4Very high65 Ų6566 Ų6640%0.39931%0.306SS..Hα-helixtrans-61.8-45.2175.5-62.20000111.6K187 V188 R194 R195K187-T191 PolarHBondContact O-N 3.39Å; K187-T191 PolarHBondContact O-OG1 3.48Å; V188-T191 PolarHBondContact O-N 2.89Å; T191-R194 PolarHBondContact O-N 2.57Å; T191-R195 PolarHBondContact O-N 3.25Å; T191-R195 VanDerWaalsContact O-N 3.11Å
192N97.8Very high97.2Very high12 Ų1270.7 Ų70.76%0.06433%0.326CS..Hα-helixtrans-62.4-46.5178.3-70.8-14.5000111.4E159 V188 A189 R194 R195 S196E159-N192 PolarHBondContact O-ND2 3.29Å; V188-N192 VanDerWaalsContact O-CG 3.3Å; V188-N192 PolarHBondContact O-N 3.36Å; A189-N192 PolarHBondContact O-N 2.8Å; N192-R194 PolarHBondContact O-N 3.3Å; N192-R195 WeakPolarHBondContact O-CB 3.33Å; N192-R195 PolarHBondContact O-N 3.35Å; N192-S196 PolarHBondContact O-N 2.65Å; N192-S196 PolarHBondContact O-OG 2.85Å; N192-S196 VanDerWaalsContact O-OG 3.06Å
193L97.8Very high97Very high12 Ų1272.6 Ų72.66%0.06334%0.339CS..Hα-helixtrans-60-45.7177.917760.1000112.2A189 E190 R195 S196 Q197 Y210 D213 I214 F217A189-L193 WeakPolarHBondContact O-CB 3.26Å; A189-L193 PolarHBondContact O-N 3.22Å; E190-L193 PolarHBondContact O-N 2.79Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 3.41Å; L193-S196 PolarHBondContact O-N 3.43Å; L193-S196 PolarHBondContact O-OG 2.75Å; L193-Q197 WeakPolarHBondContact O-CB 3.39Å; L193-Q197 PolarHBondContact O-N 3.26Å; L193-Y210 HydrophobicContact CD1-CD2 3.82Å; L193-Y210 HydrophobicContact CD1-CE2 3.55Å; L193-D213 HydrophobicContact CB-CB 4.42Å; L193-D213 HydrophobicContact CD1-CB 4.33Å; L193-I214 HydrophobicContact CD1-CB 4.35Å; L193-I214 HydrophobicContact CD1-CG1 3.44Å; L193-I214 VanDerWaalsContact CD1-CG1 3.44Å; L193-F217 HydrophobicContact CD2-CB 3.94Å; L193-F217 HydrophobicContact CD2-CD1 3.59Å; L193-F217 HydrophobicContact CD2-CD2 4.16Å; L193-F217 HydrophobicContact CD2-CE1 4.04Å; L193-F217 HydrophobicContact CD2-CG 3.63Å
194R97.8Very high96.8Very high141 Ų14173.1 Ų73.153%0.53235%0.352SS..Hα-helixtrans-60.1-41.9177.1-71.8174.6-172-177.65.1111.5E190 T191 N192 Q198E190-R194 VanDerWaalsContact O-CG 3.31Å; E190-R194 WeakPolarHBondContact O-CG 3.29Å; E190-R194 PolarHBondContact O-N 3.02Å; E190-R194 IonicContact OE1-CZ 3.37Å; E190-R194 IonicContact OE1-NE 3.83Å; E190-R194 IonicContact OE1-NH2 3.81Å; E190-R194 PolarHBondContact OE1-NH2 3.25Å; E190-R194 IonicContact OE2-NH2 3.87Å; T191-R194 PolarHBondContact O-N 2.57Å; N192-R194 PolarHBondContact O-N 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.44Å; R194-Q198 PolarHBondContact O-N 2.93Å
195R96.8Very high96.6Very high127 Ų12769.9 Ų69.948%0.47935%0.345SS..Hα-helixtrans-65.3-48.5178.3-172.1-173.1-63.9149.3-0.7111.5T191 N192 L193 Q198T191-R195 PolarHBondContact O-N 3.25Å; T191-R195 VanDerWaalsContact O-N 3.11Å; N192-R195 WeakPolarHBondContact O-CB 3.33Å; N192-R195 PolarHBondContact O-N 3.35Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 3.41Å; R195-Q198 PolarHBondContact O-N 2.82Å
196S97.1Very high96.5Very high4 Ų472.8 Ų72.83%0.02836%0.358CS..Hα-helixtrans-70.9-31.5-179.354.40000112.7N192 L193 Q198 L199 Q200 D213N192-S196 PolarHBondContact O-N 2.65Å; N192-S196 PolarHBondContact O-OG 2.85Å; N192-S196 VanDerWaalsContact O-OG 3.06Å; L193-S196 PolarHBondContact O-N 3.43Å; L193-S196 PolarHBondContact O-OG 2.75Å; S196-Q198 VanDerWaalsContact C-N 3.31Å; S196-Q198 PolarHBondContact O-N 3.26Å; S196-L199 CarbonylContact O-C 3.2Å; S196-L199 PolarHBondContact O-N 3.45Å; S196-L199 VanDerWaalsContact O-N 3.09Å; S196-Q200 PolarHBondContact O-N 3.43Å; S196-D213 WeakPolarHBondContact CB-OD2 3.49Å; S196-D213 WeakPolarHBondContact OG-CB 3.09Å; S196-D213 PolarHBondContact OG-OD2 2.82Å
197Q96.6Very high96.3Very high96 Ų9674 Ų7445%0.44937%0.366SS..Hα-helixtrans-60.7-38.1174.6-169.6173.832.700112.9L193 L199 Q200 Y210L193-Q197 WeakPolarHBondContact O-CB 3.39Å; L193-Q197 PolarHBondContact O-N 3.26Å; Q197-L199 VanDerWaalsContact C-N 3.27Å; Q197-L199 PolarHBondContact O-N 3.17Å; Q197-Q200 WeakPolarHBondContact O-CG 3.39Å; Q197-Q200 PolarHBondContact O-NE2 3.24Å; Q197-Y210 HydrophobicContact CB-CD2 3.91Å; Q197-Y210 HydrophobicContact CB-CE2 3.5Å; Q197-Y210 VanDerWaalsContact CB-CE2 3.5Å; Q197-Y210 HydrophobicContact CG-CD2 4.45Å; Q197-Y210 HydrophobicContact CG-CE2 3.65Å; Q197-Y210 PolarHBondContact NE2-OH 3.24Å
198Q96.5Very high96.2Very high151 Ų15168.1 Ų68.171%0.70634%0.344SS*.Hα-helixtrans-68.1-29.1176.5-70170.8-8.100112.2R194 R195 S196 H202R194-Q198 WeakPolarHBondContact O-CG 3.44Å; R194-Q198 PolarHBondContact O-N 2.93Å; R195-Q198 PolarHBondContact O-N 2.82Å; S196-Q198 VanDerWaalsContact C-N 3.31Å; S196-Q198 PolarHBondContact O-N 3.26Å; Q198-H202 PolarHBondContact O-CE1 2.97Å
199L94.4Very high96.1Very high58 Ų5869.1 Ų69.130%0.30435%0.348SS..Hα-helixtrans-98.4-12.6-174.9-60.9174.5000113.8S196 Q197 N201 H202 H206S196-L199 CarbonylContact O-C 3.2Å; S196-L199 PolarHBondContact O-N 3.45Å; S196-L199 VanDerWaalsContact O-N 3.09Å; Q197-L199 VanDerWaalsContact C-N 3.27Å; Q197-L199 PolarHBondContact O-N 3.17Å; L199-N201 PolarHBondContact O-N 3.36Å; L199-H202 WeakPolarHBondContact CA-ND1 3.33Å; L199-H202 VanDerWaalsContact O-CB 3.32Å; L199-H202 WeakPolarHBondContact O-CB 3.32Å; L199-H202 PolarHBondContact O-N 3.18Å; L199-H202 PolarHBondContact O-ND1 2.91Å; L199-H206 HydrophobicContact CB-CB 4.28Å; L199-H206 WeakPolarHBondContact O-CB 3.49Å
200Q93.5Very high96Very high48 Ų4871 Ų7122%0.22436%0.355CS..G310 helixtrans-50.9-36.4-167.273-175.1-60.500114.8S196 Q197 H202 E207 Y210S196-Q200 PolarHBondContact O-N 3.43Å; Q197-Q200 WeakPolarHBondContact O-CG 3.39Å; Q197-Q200 PolarHBondContact O-NE2 3.24Å; Q200-H202 VanDerWaalsContact C-N 3.33Å; Q200-H202 PolarHBondContact O-N 3.44Å; Q200-E207 PolarHBondContact O-N 3.31Å; Q200-Y210 HydrophobicContact CB-CD1 3.9Å; Q200-Y210 HydrophobicContact CB-CG 3.91Å; Q200-Y210 HydrophobicContact CG-CD1 4.48Å
201N94.3Very high95.9Very high149 Ų14975 Ų7580%0.79737%0.368SS*.G310 helixtrans-84.60.4-176.3-65.4-29.9000114.3L199L199-N201 PolarHBondContact O-N 3.36Å
202H92.7Very high95.8Very high131 Ų13172.2 Ų72.261%0.60635%0.35SS*.G310 helixtrans-81-30.7-173.9-68.361.8000112.8Q198 L199 Q200Q198-H202 PolarHBondContact O-CE1 2.97Å; L199-H202 WeakPolarHBondContact CA-ND1 3.33Å; L199-H202 VanDerWaalsContact O-CB 3.32Å; L199-H202 WeakPolarHBondContact O-CB 3.32Å; L199-H202 PolarHBondContact O-N 3.18Å; L199-H202 PolarHBondContact O-ND1 2.91Å; Q200-H202 VanDerWaalsContact C-N 3.33Å; Q200-H202 PolarHBondContact O-N 3.44Å
203S94.6Very high95.8Very high39 Ų3972.1 Ų72.127%0.27335%0.35SS..  trans-168.6161.8179.769.50000110.7A205 H206 E207S203-A205 PolarHBondContact O-N 3.05Å; S203-A205 VanDerWaalsContact O-N 3.16Å; S203-A205 PolarHBondContact OG-N 3.36Å; S203-H206 PolarHBondContact O-N 3.29Å; S203-H206 VanDerWaalsContact O-N 3.08Å; S203-H206 PolarHBondContact OG-N 3.44Å; S203-H206 PolarHBondContact OG-ND1 2.72Å; S203-E207 PolarHBondContact O-N 3.11Å
204P94.7Very high95.7Very high107 Ų10772.5 Ų72.570%0.69535%0.351SS*.Hα-helixtrans-54-35171.7-26.335.2000114.1E207 S208P204-E207 PolarHBondContact O-N 3Å; P204-S208 PolarHBondContact O-N 3.22Å
205A94.7Very high95.7Very high44 Ų4467 Ų6736%0.36433%0.332SS..Hα-helixtrans-61.6-49.2176.300000111.8A124 S203 E207 S208 M209A124-A205 HydrophobicContact CB-CB 4.1Å; S203-A205 PolarHBondContact O-N 3.05Å; S203-A205 VanDerWaalsContact O-N 3.16Å; S203-A205 PolarHBondContact OG-N 3.36Å; A205-E207 VanDerWaalsContact C-N 3.35Å; A205-E207 PolarHBondContact O-N 3.12Å; A205-S208 PolarHBondContact O-N 3.18Å; A205-S208 PolarHBondContact O-OG 3.19Å; A205-M209 WeakPolarHBondContact O-CG 3.31Å; A205-M209 PolarHBondContact O-N 3.03Å
206H95.6Very high95.7Very high60 Ų6061 Ų6128%0.27831%0.31SS..Hα-helixtrans-62.9-36.3175.3-67.6102.8000113.2L199 S203 M209 Y210L199-H206 HydrophobicContact CB-CB 4.28Å; L199-H206 WeakPolarHBondContact O-CB 3.49Å; S203-H206 PolarHBondContact O-N 3.29Å; S203-H206 VanDerWaalsContact O-N 3.08Å; S203-H206 PolarHBondContact OG-N 3.44Å; S203-H206 PolarHBondContact OG-ND1 2.72Å; H206-M209 PolarHBondContact O-N 3.43Å; H206-Y210 PolarHBondContact O-N 3.23Å
207E95.8Very high95.7Very high91 Ų9161.3 Ų61.343%0.42531%0.31SS..Hα-helixtrans-61.7-44172.4-166.7-160.7143.400111.1Q200 S203 P204 A205 M209 Y210 R211Q200-E207 PolarHBondContact O-N 3.31Å; S203-E207 PolarHBondContact O-N 3.11Å; P204-E207 PolarHBondContact O-N 3Å; A205-E207 VanDerWaalsContact C-N 3.35Å; A205-E207 PolarHBondContact O-N 3.12Å; E207-M209 VanDerWaalsContact C-N 3.34Å; E207-M209 PolarHBondContact O-N 3.24Å; E207-Y210 PolarHBondContact O-N 3.35Å; E207-R211 PolarHBondContact O-N 2.94Å; E207-R211 IonicContact OE1-CZ 3.82Å; E207-R211 IonicContact OE1-NH2 3.11Å; E207-R211 PolarHBondContact OE1-NH2 3.34Å
208S95.9Very high95.8Very high26 Ų2656.8 Ų56.818%0.18229%0.289CS..Hα-helixtrans-63.6-37.7178.279.70000112.7P204 A205 R211 R212P204-S208 PolarHBondContact O-N 3.22Å; A205-S208 PolarHBondContact O-N 3.18Å; A205-S208 PolarHBondContact O-OG 3.19Å; S208-R211 PolarHBondContact O-N 3.08Å; S208-R212 PolarHBondContact O-N 2.92Å
209M96.6Very high95.8Very high39 Ų3949.6 Ų49.619%0.19226%0.256CS..Hα-helixtrans-63.5-46173.7-68.6176.957.600111.5A124 A205 H206 E207 R211 R212 D213A124-M209 HydrophobicContact CB-CG 3.44Å; A124-M209 VanDerWaalsContact CB-CG 3.44Å; A124-M209 HydrophobicContact CB-SD 3.77Å; A205-M209 WeakPolarHBondContact O-CG 3.31Å; A205-M209 PolarHBondContact O-N 3.03Å; H206-M209 PolarHBondContact O-N 3.43Å; E207-M209 VanDerWaalsContact C-N 3.34Å; E207-M209 PolarHBondContact O-N 3.24Å; M209-R211 VanDerWaalsContact C-N 3.34Å; M209-R211 PolarHBondContact O-N 3.23Å; M209-R212 PolarHBondContact O-N 3.38Å; M209-D213 WeakPolarHBondContact O-CB 3.25Å; M209-D213 VanDerWaalsContact O-CG 3.26Å; M209-D213 PolarHBondContact O-N 3.38Å
210Y96.9Very high96Very high39 Ų3946.8 Ų46.815%0.15324%0.241CC..Hα-helixtrans-61-43177.7175.3-119000111.8L193 Q197 Q200 H206 E207 D213 I214L193-Y210 HydrophobicContact CD1-CD2 3.82Å; L193-Y210 HydrophobicContact CD1-CE2 3.55Å; Q197-Y210 HydrophobicContact CB-CD2 3.91Å; Q197-Y210 HydrophobicContact CB-CE2 3.5Å; Q197-Y210 VanDerWaalsContact CB-CE2 3.5Å; Q197-Y210 HydrophobicContact CG-CD2 4.45Å; Q197-Y210 HydrophobicContact CG-CE2 3.65Å; Q197-Y210 PolarHBondContact NE2-OH 3.24Å; Q200-Y210 HydrophobicContact CB-CD1 3.9Å; Q200-Y210 HydrophobicContact CB-CG 3.91Å; Q200-Y210 HydrophobicContact CG-CD1 4.48Å; H206-Y210 PolarHBondContact O-N 3.23Å; E207-Y210 PolarHBondContact O-N 3.35Å; Y210-D213 PolarHBondContact O-N 2.66Å; Y210-I214 HydrophobicContact CD1-CD1 3.79Å; Y210-I214 HydrophobicContact CD2-CD1 4.09Å; Y210-I214 HydrophobicContact CD2-CG1 4.17Å; Y210-I214 HydrophobicContact CE1-CD1 3.27Å; Y210-I214 HydrophobicContact CE1-CG1 4.33Å; Y210-I214 HydrophobicContact CE2-CD1 3.6Å; Y210-I214 HydrophobicContact CE2-CG1 3.81Å; Y210-I214 HydrophobicContact CG-CD1 4.19Å; Y210-I214 WeakPolarHBondContact O-CB 3.31Å; Y210-I214 WeakPolarHBondContact O-CG1 3.45Å; Y210-I214 PolarHBondContact O-N 3.03Å
211R95.4Very high96.2Very high135 Ų13545.6 Ų45.651%0.50923%0.234SC..Hα-helixtrans-60.3-47.1176.2-169.6-178.1-61.3167.82.8112E207 S208 M209 I214 H215E207-R211 PolarHBondContact O-N 2.94Å; E207-R211 IonicContact OE1-CZ 3.82Å; E207-R211 IonicContact OE1-NH2 3.11Å; E207-R211 PolarHBondContact OE1-NH2 3.34Å; S208-R211 PolarHBondContact O-N 3.08Å; M209-R211 VanDerWaalsContact C-N 3.34Å; M209-R211 PolarHBondContact O-N 3.23Å; R211-I214 PolarHBondContact O-N 3.5Å; R211-H215 VanDerWaalsContact O-CG 3.25Å; R211-H215 PolarHBondContact O-N 3.25Å
212R96.2Very high96.4Very high8 Ų838.5 Ų38.53%0.0320%0.196CC..Hα-helixtrans-60.2-45.4175.2-177.4-149.362.7-166.2-7.2111.8C122 D125 Y131 S208 M209 H215 A216C122-R212 HydrophobicContact CB-CB 4.34Å; D125-R212 IonicContact OD1-CZ 3.07Å; D125-R212 IonicContact OD1-NH1 2.75Å; D125-R212 PolarHBondContact OD1-NH1 3.08Å; D125-R212 IonicContact OD2-NH1 3.79Å; D125-R212 PolarHBondContact OD2-NH1 3.3Å; D125-R212 VanDerWaalsContact OD2-NH1 3.14Å; Y131-R212 PolarHBondContact OH-NH1 3.29Å; Y131-R212 PolarHBondContact OH-NH2 3Å; S208-R212 PolarHBondContact O-N 2.92Å; M209-R212 PolarHBondContact O-N 3.38Å; R212-H215 PolarHBondContact O-N 3.5Å; R212-A216 PolarHBondContact O-N 2.9Å
213D97.7Very high96.6Very high10 Ų1032.3 Ų32.35%0.05317%0.168CC..Hα-helixtrans-67.1-37.9-178.9-70.6-15.8000112.4L193 S196 M209 Y210 A216 F217L193-D213 HydrophobicContact CB-CB 4.42Å; L193-D213 HydrophobicContact CD1-CB 4.33Å; S196-D213 WeakPolarHBondContact CB-OD2 3.49Å; S196-D213 WeakPolarHBondContact OG-CB 3.09Å; S196-D213 PolarHBondContact OG-OD2 2.82Å; M209-D213 WeakPolarHBondContact O-CB 3.25Å; M209-D213 VanDerWaalsContact O-CG 3.26Å; M209-D213 PolarHBondContact O-N 3.38Å; Y210-D213 PolarHBondContact O-N 2.66Å; D213-A216 PolarHBondContact O-N 3.37Å; D213-F217 WeakPolarHBondContact O-CB 3.39Å; D213-F217 PolarHBondContact O-N 3.47Å
214I96.6Very high96.8Very high20 Ų2031.1 Ų31.110%0.10316%0.158CC..Hα-helixtrans-57.4-51169.6-78.2173.6000110.1L193 Y210 R211 A216 F217 V218 L251L193-I214 HydrophobicContact CD1-CB 4.35Å; L193-I214 HydrophobicContact CD1-CG1 3.44Å; L193-I214 VanDerWaalsContact CD1-CG1 3.44Å; Y210-I214 HydrophobicContact CD1-CD1 3.79Å; Y210-I214 HydrophobicContact CD2-CD1 4.09Å; Y210-I214 HydrophobicContact CD2-CG1 4.17Å; Y210-I214 HydrophobicContact CE1-CD1 3.27Å; Y210-I214 HydrophobicContact CE1-CG1 4.33Å; Y210-I214 HydrophobicContact CE2-CD1 3.6Å; Y210-I214 HydrophobicContact CE2-CG1 3.81Å; Y210-I214 HydrophobicContact CG-CD1 4.19Å; Y210-I214 WeakPolarHBondContact O-CB 3.31Å; Y210-I214 WeakPolarHBondContact O-CG1 3.45Å; Y210-I214 PolarHBondContact O-N 3.03Å; R211-I214 PolarHBondContact O-N 3.5Å; I214-A216 VanDerWaalsContact C-N 3.35Å; I214-A216 PolarHBondContact O-N 3.31Å; I214-F217 PolarHBondContact O-N 3.25Å; I214-V218 HydrophobicContact CG2-CG2 4.36Å; I214-V218 WeakPolarHBondContact O-CB 3.4Å; I214-V218 WeakPolarHBondContact O-CG2 2.82Å; I214-V218 PolarHBondContact O-N 3.01Å; I214-L251 HydrophobicContact CG2-CD1 3.15Å; I214-L251 HydrophobicContact CG2-CD2 4.47Å; I214-L251 HydrophobicContact CG2-CG 4.41Å
215H96.6Very high97Very high25 Ų2526 Ų2612%0.11613%0.125CC..Hα-helixtrans-60.5-45.4-177.9-68.7167000111.4F119 R211 R212 F219F119-H215 HydrophobicContact CB-CB 4.15Å; F119-H215 WeakPolarHBondContact O-CB 3.42Å; R211-H215 VanDerWaalsContact O-CG 3.25Å; R211-H215 PolarHBondContact O-N 3.25Å; R212-H215 PolarHBondContact O-N 3.5Å; H215-F219 WeakPolarHBondContact O-CB 3.44Å; H215-F219 PolarHBondContact O-N 3.46Å
216A97.6Very high97.2Very high2 Ų224.4 Ų24.42%0.01711%0.11CC..Hα-helixtrans-60.4-47.4175.500000111.7F120 I165 R212 D213 I214 F219 I220F120-A216 HydrophobicContact CD1-CB 4.2Å; F120-A216 HydrophobicContact CE1-CB 4.38Å; I165-A216 HydrophobicContact CD1-CB 4.17Å; R212-A216 PolarHBondContact O-N 2.9Å; D213-A216 PolarHBondContact O-N 3.37Å; I214-A216 VanDerWaalsContact C-N 3.35Å; I214-A216 PolarHBondContact O-N 3.31Å; A216-F219 PolarHBondContact O-N 3.03Å; A216-I220 WeakPolarHBondContact O-CB 3.47Å; A216-I220 WeakPolarHBondContact O-CD1 3.36Å; A216-I220 WeakPolarHBondContact O-CG1 3.31Å; A216-I220 PolarHBondContact O-N 3.22Å
217F97.9Very high97.3Very high9 Ų921.6 Ų21.64%0.03910%0.097CC..Hα-helixtrans-61.7-49.1-179.6178.8-101.7000112.7Y186 A189 E190 L193 D213 I214 I220 R221 Y248Y186-F217 HydrophobicContact CD2-CD2 4.45Å; Y186-F217 AromaticContact CD2-CE2 3.96Å; Y186-F217 HydrophobicContact CD2-CE2 3.96Å; Y186-F217 HydrophobicContact CE2-CD2 4.27Å; Y186-F217 AromaticContact CE2-CE2 3.39Å; Y186-F217 HydrophobicContact CE2-CE2 3.39Å; Y186-F217 AromaticContact CE2-CZ 3.8Å; Y186-F217 HydrophobicContact CE2-CZ 3.8Å; A189-F217 HydrophobicContact CB-CB 4.4Å; A189-F217 HydrophobicContact CB-CD2 4.26Å; E190-F217 HydrophobicContact CB-CD2 4.39Å; E190-F217 HydrophobicContact CB-CE2 3.92Å; E190-F217 HydrophobicContact CG-CE2 4.24Å; L193-F217 HydrophobicContact CD2-CB 3.94Å; L193-F217 HydrophobicContact CD2-CD1 3.59Å; L193-F217 HydrophobicContact CD2-CD2 4.16Å; L193-F217 HydrophobicContact CD2-CE1 4.04Å; L193-F217 HydrophobicContact CD2-CG 3.63Å; D213-F217 WeakPolarHBondContact O-CB 3.39Å; D213-F217 PolarHBondContact O-N 3.47Å; I214-F217 PolarHBondContact O-N 3.25Å; F217-I220 PolarHBondContact O-N 3.06Å; F217-R221 VanDerWaalsContact CE1-CD 3.45Å; F217-R221 HydrophobicContact CE1-CG 4.44Å; F217-R221 VanDerWaalsContact CZ-CD 3.47Å; F217-R221 HydrophobicContact CZ-CG 4.33Å; F217-R221 PolarHBondContact O-N 3.35Å; F217-Y248 HydrophobicContact CD1-CE2 4.3Å; F217-Y248 HydrophobicContact CE1-CE2 4.03Å; F217-Y248 VanDerWaalsContact CE1-OH 3.29Å; F217-Y248 WeakPolarHBondContact CE1-OH 3.37Å
218V96.9Very high97.5Very high1 Ų117.2 Ų17.21%0.0068%0.077CC..Hα-helixtrans-65-41.4178.5173.40000110.7I214 R221 R222 L244 Y248 L251 F254 I256I214-V218 HydrophobicContact CG2-CG2 4.36Å; I214-V218 WeakPolarHBondContact O-CB 3.4Å; I214-V218 WeakPolarHBondContact O-CG2 2.82Å; I214-V218 PolarHBondContact O-N 3.01Å; V218-R221 PolarHBondContact O-N 3.29Å; V218-R222 WeakPolarHBondContact O-CB 3.42Å; V218-R222 PolarHBondContact O-N 3.06Å; V218-L244 HydrophobicContact CB-CD2 4.5Å; V218-L244 HydrophobicContact CG1-CD2 4.2Å; V218-L244 HydrophobicContact CG2-CD2 4.33Å; V218-Y248 HydrophobicContact CG2-CD1 4.14Å; V218-Y248 HydrophobicContact CG2-CD2 3.83Å; V218-Y248 HydrophobicContact CG2-CE1 4.35Å; V218-Y248 HydrophobicContact CG2-CE2 4.07Å; V218-Y248 HydrophobicContact CG2-CG 3.87Å; V218-L251 HydrophobicContact CG2-CD1 3.92Å; V218-F254 HydrophobicContact CB-CE2 4.09Å; V218-F254 HydrophobicContact CG1-CD2 3.64Å; V218-F254 HydrophobicContact CG1-CE2 3.7Å; V218-I256 HydrophobicContact CG1-CD1 4.11Å
219F97.2Very high97.6Very high0 Ų019.1 Ų19.10%08%0.08CC..Hα-helixtrans-58.8-50.5175.3-175.6-91.5000111.3R81 F120 I165 E169 H215 A216 R221 R222 R223 F254R81-F219 VanDerWaalsContact NH2-CE2 3.35Å; F120-F219 HydrophobicContact CE1-CB 4.06Å; F120-F219 HydrophobicContact CE1-CG 4.2Å; F120-F219 HydrophobicContact CZ-CB 4.02Å; F120-F219 AromaticContact CZ-CD1 3.77Å; F120-F219 HydrophobicContact CZ-CD1 3.77Å; F120-F219 HydrophobicContact CZ-CD2 4.01Å; F120-F219 HydrophobicContact CZ-CE1 4.26Å; F120-F219 HydrophobicContact CZ-CE2 4.48Å; F120-F219 AromaticContact CZ-CG 3.64Å; F120-F219 HydrophobicContact CZ-CG 3.64Å; I165-F219 HydrophobicContact CD1-CD1 4.06Å; I165-F219 HydrophobicContact CG1-CD1 4.3Å; I165-F219 HydrophobicContact CG2-CD1 3.92Å; I165-F219 HydrophobicContact CG2-CE1 3.55Å; E169-F219 WeakPolarHBondContact OE1-CZ 3.49Å; H215-F219 WeakPolarHBondContact O-CB 3.44Å; H215-F219 PolarHBondContact O-N 3.46Å; A216-F219 PolarHBondContact O-N 3.03Å; F219-R221 PolarHBondContact O-N 2.98Å; F219-R222 PolarHBondContact O-N 3.35Å; F219-R223 HydrophobicContact CD1-CG 3.97Å; F219-R223 HydrophobicContact CE1-CG 3.53Å; F219-R223 HydrophobicContact CE2-CG 4.28Å; F219-R223 HydrophobicContact CZ-CG 3.71Å; F219-R223 WeakPolarHBondContact O-CG 3.35Å; F219-R223 PolarHBondContact O-N 3.15Å; F219-F254 HydrophobicContact CB-CE1 4.5Å; F219-F254 HydrophobicContact CB-CE2 4.42Å; F219-F254 HydrophobicContact CB-CZ 4.04Å; F219-F254 HydrophobicContact CD2-CD1 4.23Å; F219-F254 AromaticContact CD2-CE1 3.79Å; F219-F254 HydrophobicContact CD2-CE1 3.79Å; F219-F254 HydrophobicContact CD2-CZ 4.18Å
220I98.5Very high97.7Very high0 Ų020.2 Ų20.20%08%0.084CC..Hα-helixtrans-58.9-48.5179.3-71.6161000111.2A161 I165 Y182 A185 A189 A216 F217 R222 R223 L224A161-I220 HydrophobicContact CB-CD1 4.47Å; I165-I220 HydrophobicContact CD1-CD1 3.98Å; I165-I220 HydrophobicContact CD1-CG1 3.86Å; I165-I220 HydrophobicContact CG1-CD1 3.93Å; I165-I220 HydrophobicContact CG1-CG1 3.64Å; Y182-I220 HydrophobicContact CD1-CB 4.33Å; Y182-I220 HydrophobicContact CD1-CG1 4.09Å; Y182-I220 HydrophobicContact CD1-CG2 3.98Å; Y182-I220 HydrophobicContact CE1-CG1 4.26Å; A185-I220 HydrophobicContact CB-CD1 3.82Å; A185-I220 HydrophobicContact CB-CG1 4.23Å; A185-I220 HydrophobicContact CB-CG2 4.34Å; A189-I220 HydrophobicContact CB-CD1 3.56Å; A216-I220 WeakPolarHBondContact O-CB 3.47Å; A216-I220 WeakPolarHBondContact O-CD1 3.36Å; A216-I220 WeakPolarHBondContact O-CG1 3.31Å; A216-I220 PolarHBondContact O-N 3.22Å; F217-I220 PolarHBondContact O-N 3.06Å; I220-R222 VanDerWaalsContact C-N 3.34Å; I220-R222 PolarHBondContact O-N 2.92Å; I220-R223 PolarHBondContact O-N 2.97Å; I220-L224 HydrophobicContact CG2-CD1 4.22Å; I220-L224 PolarHBondContact O-N 3.37Å
221R98Very high97.7Very high22 Ų2221.1 Ų21.18%0.0839%0.091CC..Hα-helixtrans-62.8-40.2178.6-75.7-176.167.9-176.12.1112.3Y186 F217 V218 F219 L224 A225 L244 E247Y186-R221 HydrophobicContact CD2-CG 3.7Å; Y186-R221 HydrophobicContact CE2-CG 3.52Å; F217-R221 VanDerWaalsContact CE1-CD 3.45Å; F217-R221 HydrophobicContact CE1-CG 4.44Å; F217-R221 VanDerWaalsContact CZ-CD 3.47Å; F217-R221 HydrophobicContact CZ-CG 4.33Å; F217-R221 PolarHBondContact O-N 3.35Å; V218-R221 PolarHBondContact O-N 3.29Å; F219-R221 PolarHBondContact O-N 2.98Å; R221-L224 PolarHBondContact O-N 2.9Å; R221-A225 PolarHBondContact O-N 3.2Å; R221-L244 HydrophobicContact CB-CD1 3.74Å; R221-L244 HydrophobicContact CB-CD2 3.83Å; R221-L244 HydrophobicContact CB-CG 4.09Å; R221-L244 HydrophobicContact CG-CD2 4.44Å; R221-E247 IonicContact CZ-OE2 3.12Å; R221-E247 IonicContact NH1-OE1 3.01Å; R221-E247 IonicContact NH1-OE2 2.75Å; R221-E247 PolarHBondContact NH1-OE2 3.02Å; R221-E247 IonicContact NH2-OE1 3.66Å; R221-E247 IonicContact NH2-OE2 2.69Å
222R97.6Very high97.9Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-60.9-46.7174.4176.7-172.5161.6-126.2-7.1110.4P83 V218 F219 I220 L224 A225 M226 L244 F254 I256 N259P83-R222 VanDerWaalsContact C-NH2 3.3Å; P83-R222 VanDerWaalsContact CA-NH2 3.34Å; P83-R222 PolarHBondContact O-NH2 3.32Å; V218-R222 WeakPolarHBondContact O-CB 3.42Å; V218-R222 PolarHBondContact O-N 3.06Å; F219-R222 PolarHBondContact O-N 3.35Å; I220-R222 VanDerWaalsContact C-N 3.34Å; I220-R222 PolarHBondContact O-N 2.92Å; R222-L224 PolarHBondContact O-N 2.88Å; R222-A225 WeakPolarHBondContact O-CB 3.38Å; R222-A225 PolarHBondContact O-N 3.23Å; R222-A225 VanDerWaalsContact O-N 3.14Å; R222-M226 HydrophobicContact CG-SD 4.42Å; R222-M226 WeakPolarHBondContact O-CG 3.33Å; R222-M226 PolarHBondContact O-N 2.92Å; R222-L244 HydrophobicContact CB-CD1 4.16Å; R222-F254 PolarHBondContact NE-O 3.02Å; R222-I256 HydrophobicContact CB-CG1 4.49Å; R222-I256 HydrophobicContact CG-CG1 4.15Å; R222-N259 PolarHBondContact NE-OD1 2.82Å
223R98.2Very high98Very high2 Ų220 Ų201%0.00811%0.105CC..Hα-helixtrans-66.8-34179.3-63.6-58.7-77.7171.6-13.9112.6S85 L86 F87 E169 Y182 F219 I220 M226 C227S85-R223 PolarHBondContact O-NH1 3.21Å; L86-R223 PolarHBondContact O-NH2 2.85Å; L86-R223 VanDerWaalsContact O-NH2 3.07Å; F87-R223 HydrophobicContact CE1-CB 4.31Å; E169-R223 VanDerWaalsContact CD-NH2 3.35Å; E169-R223 IonicContact OE1-CZ 2.79Å; E169-R223 VanDerWaalsContact OE1-CZ 3.27Å; E169-R223 IonicContact OE1-NE 3.74Å; E169-R223 PolarHBondContact OE1-NE 3.18Å; E169-R223 IonicContact OE1-NH2 2.7Å; E169-R223 PolarHBondContact OE1-NH2 3.28Å; E169-R223 VanDerWaalsContact OE1-NH2 3.12Å; E169-R223 IonicContact OE2-CZ 3.45Å; E169-R223 IonicContact OE2-NE 2.56Å; E169-R223 IonicContact OE2-NH2 2.71Å; E169-R223 PolarHBondContact OE2-NH2 3.35Å; Y182-R223 HydrophobicContact CD1-CB 4.5Å; Y182-R223 HydrophobicContact CD2-CB 4.07Å; Y182-R223 HydrophobicContact CE1-CB 4.06Å; Y182-R223 HydrophobicContact CE1-CG 4.47Å; Y182-R223 HydrophobicContact CE2-CB 3.6Å; Y182-R223 HydrophobicContact CE2-CG 4.34Å; F219-R223 HydrophobicContact CD1-CG 3.97Å; F219-R223 HydrophobicContact CE1-CG 3.53Å; F219-R223 HydrophobicContact CE2-CG 4.28Å; F219-R223 HydrophobicContact CZ-CG 3.71Å; F219-R223 WeakPolarHBondContact O-CG 3.35Å; F219-R223 PolarHBondContact O-N 3.15Å; I220-R223 PolarHBondContact O-N 2.97Å; R223-M226 PolarHBondContact NH1-SD 3Å; R223-M226 PolarHBondContact O-N 3.33Å; R223-C227 PolarHBondContact O-N 3.26Å; R223-C227 PolarHBondContact O-SG 3.03Å
224L98.7Very high98Very high13 Ų1321.2 Ų21.27%0.06811%0.112CC..Hα-helixtrans-60.7-44.1168.1-79.3172.4000112.1E179 Y182 K183 Y186 I220 R221 R222 M226 C227 A228 M240E179-L224 HydrophobicContact CG-CD2 4.13Å; Y182-L224 VanDerWaalsContact CB-CD2 3.45Å; K183-L224 HydrophobicContact CG-CD2 3.93Å; Y186-L224 HydrophobicContact CD2-CD1 4.41Å; Y186-L224 HydrophobicContact CG-CD1 4.2Å; I220-L224 HydrophobicContact CG2-CD1 4.22Å; I220-L224 PolarHBondContact O-N 3.37Å; R221-L224 PolarHBondContact O-N 2.9Å; R222-L224 PolarHBondContact O-N 2.88Å; L224-M226 VanDerWaalsContact C-N 3.28Å; L224-M226 PolarHBondContact O-N 2.98Å; L224-C227 WeakPolarHBondContact O-CB 2.95Å; L224-C227 PolarHBondContact O-N 3.2Å; L224-A228 PolarHBondContact O-N 2.84Å; L224-M240 HydrophobicContact CB-SD 3.95Å
225A98.5Very high98.1Very high0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-62-37.9175.800000111.6R221 R222 A228 R229 A237 M240 M241R221-A225 PolarHBondContact O-N 3.2Å; R222-A225 WeakPolarHBondContact O-CB 3.38Å; R222-A225 PolarHBondContact O-N 3.23Å; R222-A225 VanDerWaalsContact O-N 3.14Å; A225-A228 PolarHBondContact O-N 3.23Å; A225-R229 WeakPolarHBondContact O-CB 3.3Å; A225-R229 PolarHBondContact O-N 2.82Å; A225-A237 WeakPolarHBondContact O-CB 3.4Å; A225-M240 HydrophobicContact CB-CB 3.78Å; A225-M240 HydrophobicContact CB-SD 4.15Å; A225-M241 HydrophobicContact CB-CE 3.72Å; A225-M241 HydrophobicContact CB-CG 3.83Å
226M98.5Very high98.2Very high11 Ų1131.1 Ų31.15%0.05416%0.155CC..Hα-helixtrans-66.6-39.4173.9-65.6178.575.800112.4S85 F87 R222 R223 L224 R229 K230S85-M226 WeakPolarHBondContact O-CE 3.11Å; F87-M226 HydrophobicContact CE2-CB 4.43Å; F87-M226 HydrophobicContact CZ-CB 4.13Å; R222-M226 HydrophobicContact CG-SD 4.42Å; R222-M226 WeakPolarHBondContact O-CG 3.33Å; R222-M226 PolarHBondContact O-N 2.92Å; R223-M226 PolarHBondContact NH1-SD 3Å; R223-M226 PolarHBondContact O-N 3.33Å; L224-M226 VanDerWaalsContact C-N 3.28Å; L224-M226 PolarHBondContact O-N 2.98Å; M226-R229 PolarHBondContact O-N 3.19Å; M226-K230 WeakPolarHBondContact O-CG 3.14Å; M226-K230 PolarHBondContact O-N 3.01Å
227C98.7Very high98.3Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-59.9-48.9171.2-65.30000110.7F87 I175 E179 R223 L224 R229 K230 L231F87-C227 WeakPolarHBondContact CZ-SG 3.44Å; I175-C227 HydrophobicContact CG2-CB 4.15Å; E179-C227 HydrophobicContact CB-CB 4.03Å; E179-C227 HydrophobicContact CG-CB 4.18Å; R223-C227 PolarHBondContact O-N 3.26Å; R223-C227 PolarHBondContact O-SG 3.03Å; L224-C227 WeakPolarHBondContact O-CB 2.95Å; L224-C227 PolarHBondContact O-N 3.2Å; C227-R229 VanDerWaalsContact C-N 3.31Å; C227-R229 PolarHBondContact O-N 3.42Å; C227-K230 PolarHBondContact O-N 3.27Å; C227-L231 WeakPolarHBondContact O-CB 3.3Å; C227-L231 VanDerWaalsContact O-CG 3.25Å; C227-L231 WeakPolarHBondContact O-CG 3.49Å; C227-L231 PolarHBondContact O-N 3.47Å
228A98.8Very high98.3Very high0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-58.2-43.4177.900000111.7L224 A225 L231 G232 K233 E236 A237L224-A228 PolarHBondContact O-N 2.84Å; A225-A228 PolarHBondContact O-N 3.23Å; A228-L231 CarbonylContact O-C 3.15Å; A228-L231 PolarHBondContact O-N 3.49Å; A228-G232 PolarHBondContact O-N 3.34Å; A228-K233 HydrophobicContact CB-CB 4.12Å; A228-K233 WeakPolarHBondContact O-CA 3.48Å; A228-K233 WeakPolarHBondContact O-CB 3.39Å; A228-K233 PolarHBondContact O-N 3.48Å; A228-E236 HydrophobicContact CB-CB 4.39Å; A228-A237 HydrophobicContact CB-CB 4.01Å
229R98.4Very high98.4Very high65 Ų6537.7 Ų37.725%0.24518%0.183CC..Hα-helixtrans-59.4-45.6174.9172.356.3-172.592.2-1112.4A225 M226 C227 L231 G232 A237 E262A225-R229 WeakPolarHBondContact O-CB 3.3Å; A225-R229 PolarHBondContact O-N 2.82Å; M226-R229 PolarHBondContact O-N 3.19Å; C227-R229 VanDerWaalsContact C-N 3.31Å; C227-R229 PolarHBondContact O-N 3.42Å; R229-L231 VanDerWaalsContact C-N 3.34Å; R229-G232 PolarHBondContact O-N 2.95Å; R229-A237 HydrophobicContact CB-CB 4.01Å; R229-E262 IonicContact CZ-OE1 3.93Å; R229-E262 IonicContact CZ-OE2 2.67Å; R229-E262 IonicContact NE-OE1 3.61Å; R229-E262 PolarHBondContact NE-OE1 2.59Å; R229-E262 IonicContact NE-OE2 2.72Å; R229-E262 PolarHBondContact NE-OE2 2.81Å; R229-E262 IonicContact NH2-OE1 3.8Å; R229-E262 PolarHBondContact NH2-OE1 3.21Å; R229-E262 IonicContact NH2-OE2 2.72Å
230K97.9Very high98.4Very high62 Ų6239.4 Ų39.427%0.2719%0.192SC..Hα-helixtrans-69.2-30.7178.4-73.8-178.2-172.7-79.30113F87 E91 I175 M226 C227 G232F87-K230 HydrophobicContact CD2-CD 4.13Å; F87-K230 HydrophobicContact CE2-CD 3.91Å; E91-K230 VanDerWaalsContact CD-NZ 3.26Å; E91-K230 IonicContact OE1-NZ 2.81Å; E91-K230 PolarHBondContact OE1-NZ 2.68Å; E91-K230 WeakPolarHBondContact OE2-CE 3.44Å; E91-K230 IonicContact OE2-NZ 3.44Å; E91-K230 PolarHBondContact OE2-NZ 2.85Å; I175-K230 HydrophobicContact CD1-CD 3.76Å; I175-K230 HydrophobicContact CG1-CD 4.14Å; I175-K230 HydrophobicContact CG2-CB 4.07Å; M226-K230 WeakPolarHBondContact O-CG 3.14Å; M226-K230 PolarHBondContact O-N 3.01Å; C227-K230 PolarHBondContact O-N 3.27Å; K230-G232 PolarHBondContact O-N 3.5Å
231L98.4Very high98.4Very high59 Ų5939.5 Ų39.531%0.30919%0.192SC..THydrogen-bonded Turntrans-83.77.3175.9-64.7170.4000113.4I175 V176 E179 C227 A228 R229 K233I175-L231 HydrophobicContact CB-CD2 4.34Å; I175-L231 HydrophobicContact CG2-CD1 4.24Å; I175-L231 HydrophobicContact CG2-CD2 4.08Å; I175-L231 HydrophobicContact CG2-CG 3.87Å; V176-L231 HydrophobicContact CG1-CD2 3.68Å; E179-L231 HydrophobicContact CB-CD1 4.41Å; E179-L231 WeakPolarHBondContact OE2-CD1 3.41Å; C227-L231 WeakPolarHBondContact O-CB 3.3Å; C227-L231 VanDerWaalsContact O-CG 3.25Å; C227-L231 WeakPolarHBondContact O-CG 3.49Å; C227-L231 PolarHBondContact O-N 3.47Å; A228-L231 CarbonylContact O-C 3.15Å; A228-L231 PolarHBondContact O-N 3.49Å; R229-L231 VanDerWaalsContact C-N 3.34Å; L231-K233 VanDerWaalsContact C-N 3.25Å; L231-K233 HydrophobicContact CB-CG 4.4Å; L231-K233 PolarHBondContact O-N 3.13Å
232G98.2Very high98.4Very high54 Ų5443.1 Ų43.156%0.55721%0.209SC*.THydrogen-bonded Turntrans75.76.8179.100000114.9A228 R229 K230 L234A228-G232 PolarHBondContact O-N 3.34Å; R229-G232 PolarHBondContact O-N 2.95Å; K230-G232 PolarHBondContact O-N 3.5Å; G232-L234 PolarHBondContact O-N 2.98Å
233K98.7Very high98.3Very high64 Ų6445.6 Ų45.628%0.27822%0.222SC..  trans-83.859179.1-57.4-179.7-62.7173.80110.6E179 A228 L231 K235 E236 A237E179-K233 IonicContact OE1-NZ 2.76Å; E179-K233 PolarHBondContact OE1-NZ 3.28Å; E179-K233 IonicContact OE2-NZ 2.71Å; E179-K233 PolarHBondContact OE2-NZ 3.4Å; E179-K233 VanDerWaalsContact OE2-NZ 3.14Å; A228-K233 HydrophobicContact CB-CB 4.12Å; A228-K233 WeakPolarHBondContact O-CA 3.48Å; A228-K233 WeakPolarHBondContact O-CB 3.39Å; A228-K233 PolarHBondContact O-N 3.48Å; L231-K233 VanDerWaalsContact C-N 3.25Å; L231-K233 HydrophobicContact CB-CG 4.4Å; L231-K233 PolarHBondContact O-N 3.13Å; K233-K235 PolarHBondContact O-N 2.95Å; K233-E236 HydrophobicContact CB-CB 4.12Å; K233-E236 WeakPolarHBondContact CD-OE2 3.38Å; K233-E236 WeakPolarHBondContact CE-OE2 3.15Å; K233-E236 IonicContact NZ-OE2 3.46Å; K233-E236 PolarHBondContact NZ-OE2 3.49Å; K233-E236 WeakPolarHBondContact O-CB 3.47Å; K233-E236 PolarHBondContact O-N 3.33Å; K233-E236 VanDerWaalsContact O-N 3.12Å; K233-A237 PolarHBondContact O-N 3.02Å
234L98.6Very high98.3Very high37 Ų3745.6 Ų45.619%0.19422%0.222CC..Hα-helixtrans-60.7-42.9-168.4-58.2-178.1000113.3G232 E236 A237 I238 A266 A267G232-L234 PolarHBondContact O-N 2.98Å; L234-E236 VanDerWaalsContact C-N 3.26Å; L234-E236 PolarHBondContact O-N 3.08Å; L234-A237 PolarHBondContact O-N 2.92Å; L234-I238 WeakPolarHBondContact O-CB 3.17Å; L234-I238 VanDerWaalsContact O-CG1 3.27Å; L234-I238 WeakPolarHBondContact O-CG1 3.31Å; L234-I238 PolarHBondContact O-N 3.38Å; L234-A266 HydrophobicContact CD1-CB 4.16Å; L234-A266 WeakPolarHBondContact CD1-O 3.42Å; L234-A266 HydrophobicContact CD2-CB 4.12Å; L234-A267 HydrophobicContact CB-CB 4.29Å; L234-A267 HydrophobicContact CD1-CB 4.07Å
235K98.6Very high98.1Very high180 Ų18047.2 Ų47.278%0.78323%0.23SC*.Hα-helixtrans-60.6-38.1177.6-65.8-176.7-179.41790112K233 K239K233-K235 PolarHBondContact O-N 2.95Å; K235-K239 WeakPolarHBondContact O-CB 3.26Å; K235-K239 PolarHBondContact O-N 2.78Å; K235-K239 VanDerWaalsContact O-N 3.09Å
236E98.6Very high97.9Very high73 Ų7355.5 Ų55.534%0.34127%0.266SS..Hα-helixtrans-67.9-48.1177.5-161.3-168.2160.800110.4A228 K233 L234 I238 K239 M240A228-E236 HydrophobicContact CB-CB 4.39Å; K233-E236 HydrophobicContact CB-CB 4.12Å; K233-E236 WeakPolarHBondContact CD-OE2 3.38Å; K233-E236 WeakPolarHBondContact CE-OE2 3.15Å; K233-E236 IonicContact NZ-OE2 3.46Å; K233-E236 PolarHBondContact NZ-OE2 3.49Å; K233-E236 WeakPolarHBondContact O-CB 3.47Å; K233-E236 PolarHBondContact O-N 3.33Å; K233-E236 VanDerWaalsContact O-N 3.12Å; L234-E236 VanDerWaalsContact C-N 3.26Å; L234-E236 PolarHBondContact O-N 3.08Å; E236-I238 PolarHBondContact O-N 3.49Å; E236-K239 PolarHBondContact O-N 2.83Å; E236-M240 HydrophobicContact CG-CE 3.58Å; E236-M240 WeakPolarHBondContact O-CG 3.39Å; E236-M240 PolarHBondContact O-N 2.72Å; E236-M240 WeakPolarHBondContact OE1-CE 3.45Å
237A98.8Very high97.7Very high0 Ų059.8 Ų59.80%029%0.286CS..Hα-helixtrans-58.4-49.2177.200000112.3A225 A228 R229 K233 L234 K239 M240 M241A225-A237 WeakPolarHBondContact O-CB 3.4Å; A228-A237 HydrophobicContact CB-CB 4.01Å; R229-A237 HydrophobicContact CB-CB 4.01Å; K233-A237 PolarHBondContact O-N 3.02Å; L234-A237 PolarHBondContact O-N 2.92Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 2.96Å; A237-M240 PolarHBondContact O-N 3.03Å; A237-M241 WeakPolarHBondContact O-CG 3.37Å; A237-M241 PolarHBondContact O-N 3.26Å
238I98.8Very high97.5Very high12 Ų1262.3 Ų62.36%0.06230%0.296CS..Hα-helixtrans-58.4-46.9177.9-70.7168.6000110.5L234 E236 M241 K242 L260 C263 Y264 A267L234-I238 WeakPolarHBondContact O-CB 3.17Å; L234-I238 VanDerWaalsContact O-CG1 3.27Å; L234-I238 WeakPolarHBondContact O-CG1 3.31Å; L234-I238 PolarHBondContact O-N 3.38Å; E236-I238 PolarHBondContact O-N 3.49Å; I238-M241 PolarHBondContact O-N 2.95Å; I238-K242 HydrophobicContact CG2-CD 3.74Å; I238-K242 HydrophobicContact CG2-CG 4.33Å; I238-K242 WeakPolarHBondContact O-CB 3.23Å; I238-K242 VanDerWaalsContact O-CG 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.25Å; I238-K242 PolarHBondContact O-N 2.82Å; I238-L260 HydrophobicContact CB-CD1 4.42Å; I238-L260 HydrophobicContact CG1-CD1 4.43Å; I238-L260 HydrophobicContact CG2-CD1 4.03Å; I238-C263 HydrophobicContact CD1-CB 4.4Å; I238-C263 HydrophobicContact CG1-CB 3.66Å; I238-Y264 HydrophobicContact CD1-CD1 4.06Å; I238-Y264 HydrophobicContact CD1-CE1 4.46Å; I238-Y264 HydrophobicContact CG1-CD1 4.47Å; I238-Y264 HydrophobicContact CG2-CD1 4.35Å; I238-Y264 HydrophobicContact CG2-CE1 3.73Å; I238-A267 HydrophobicContact CD1-CB 3.75Å
239K98.7Very high97Very high137 Ų13766.5 Ų66.560%0.59632%0.323SS*.Hα-helixtrans-58.9-51.2178-177.2-179175.8-173.30111K235 E236 A237 M241 K242 D243K235-K239 WeakPolarHBondContact O-CB 3.26Å; K235-K239 PolarHBondContact O-N 2.78Å; K235-K239 VanDerWaalsContact O-N 3.09Å; E236-K239 PolarHBondContact O-N 2.83Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 2.96Å; K239-M241 VanDerWaalsContact C-N 3.32Å; K239-M241 PolarHBondContact O-N 3.01Å; K239-K242 PolarHBondContact O-N 3.29Å; K239-D243 WeakPolarHBondContact O-CB 3.48Å; K239-D243 PolarHBondContact O-N 2.79Å
240M98.3Very high96.2Very high37 Ų3770.9 Ų70.918%0.18235%0.351CS..Hα-helixtrans-57.9-43179.7-69.2-167.4-150.100112.6L224 A225 E236 A237 L244L224-M240 HydrophobicContact CB-SD 3.95Å; A225-M240 HydrophobicContact CB-CB 3.78Å; A225-M240 HydrophobicContact CB-SD 4.15Å; E236-M240 HydrophobicContact CG-CE 3.58Å; E236-M240 WeakPolarHBondContact O-CG 3.39Å; E236-M240 PolarHBondContact O-N 2.72Å; E236-M240 WeakPolarHBondContact OE1-CE 3.45Å; A237-M240 PolarHBondContact O-N 3.03Å; M240-L244 WeakPolarHBondContact O-CB 3.44Å; M240-L244 WeakPolarHBondContact O-CG 3.46Å; M240-L244 PolarHBondContact O-N 3.09Å
241M97.5Very high95.4Very high2 Ų269.7 Ų69.71%0.0135%0.348CS..Hα-helixtrans-69-41.4-179.9-68.5175.3-17200112.2A225 A237 I238 K239 L244 I245 I256 N259 L260 C263A225-M241 HydrophobicContact CB-CE 3.72Å; A225-M241 HydrophobicContact CB-CG 3.83Å; A237-M241 WeakPolarHBondContact O-CG 3.37Å; A237-M241 PolarHBondContact O-N 3.26Å; I238-M241 PolarHBondContact O-N 2.95Å; K239-M241 VanDerWaalsContact C-N 3.32Å; K239-M241 PolarHBondContact O-N 3.01Å; M241-L244 PolarHBondContact O-N 3.17Å; M241-I245 VanDerWaalsContact O-CG1 3.31Å; M241-I245 WeakPolarHBondContact O-CG1 3.37Å; M241-I245 PolarHBondContact O-N 2.64Å; M241-I256 HydrophobicContact CB-CG2 3.89Å; M241-I256 HydrophobicContact CG-CG2 3.95Å; M241-N259 HydrophobicContact CE-CB 3.62Å; M241-N259 VanDerWaalsContact SD-C 3.53Å; M241-N259 HydrophobicContact SD-CB 3.67Å; M241-L260 HydrophobicContact CB-CB 4.14Å; M241-L260 HydrophobicContact CB-CD1 4.12Å; M241-L260 HydrophobicContact SD-CB 4.21Å; M241-L260 PolarHBondContact SD-N 3.3Å; M241-C263 HydrophobicContact SD-CB 4.47Å
242K97.1Very high94.5Very high98 Ų9870.3 Ų70.343%0.42635%0.351SS..Hα-helixtrans-61.2-45.2174.5-73.4174.871.1165.80111.6I238 K239 I245 K246 L260 Y264I238-K242 HydrophobicContact CG2-CD 3.74Å; I238-K242 HydrophobicContact CG2-CG 4.33Å; I238-K242 WeakPolarHBondContact O-CB 3.23Å; I238-K242 VanDerWaalsContact O-CG 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.25Å; I238-K242 PolarHBondContact O-N 2.82Å; K239-K242 PolarHBondContact O-N 3.29Å; K242-I245 PolarHBondContact O-N 2.94Å; K242-K246 WeakPolarHBondContact O-CB 3.27Å; K242-K246 PolarHBondContact O-N 2.93Å; K242-L260 HydrophobicContact CG-CD1 4.02Å; K242-L260 HydrophobicContact CG-CD2 3.88Å; K242-Y264 WeakPolarHBondContact CD-OH 3.4Å
243D97.6Very high93.7Very high51 Ų5171 Ų7127%0.27334%0.342SS..Hα-helixtrans-62.8-45.4179.5-68-14000110.3K239 I245 K246 E247K239-D243 WeakPolarHBondContact O-CB 3.48Å; K239-D243 PolarHBondContact O-N 2.79Å; D243-I245 PolarHBondContact O-N 3.41Å; D243-K246 PolarHBondContact O-N 2.98Å; D243-E247 VanDerWaalsContact O-CB 3.29Å; D243-E247 WeakPolarHBondContact O-CB 3.32Å; D243-E247 VanDerWaalsContact O-CG 3.24Å; D243-E247 WeakPolarHBondContact O-CG 3.45Å; D243-E247 PolarHBondContact O-N 3.41Å
244L96.6Very high93.2Very high2 Ų268.1 Ų68.11%0.0133%0.329CS..Hα-helixtrans-59-47.3175.6-80.7175.3000113.5V218 R221 R222 M240 M241 K246 E247 Y248 I256V218-L244 HydrophobicContact CB-CD2 4.5Å; V218-L244 HydrophobicContact CG1-CD2 4.2Å; V218-L244 HydrophobicContact CG2-CD2 4.33Å; R221-L244 HydrophobicContact CB-CD1 3.74Å; R221-L244 HydrophobicContact CB-CD2 3.83Å; R221-L244 HydrophobicContact CB-CG 4.09Å; R221-L244 HydrophobicContact CG-CD2 4.44Å; R222-L244 HydrophobicContact CB-CD1 4.16Å; M240-L244 WeakPolarHBondContact O-CB 3.44Å; M240-L244 WeakPolarHBondContact O-CG 3.46Å; M240-L244 PolarHBondContact O-N 3.09Å; M241-L244 PolarHBondContact O-N 3.17Å; L244-K246 VanDerWaalsContact C-N 3.29Å; L244-K246 PolarHBondContact O-N 3.1Å; L244-E247 PolarHBondContact O-N 3.32Å; L244-Y248 HydrophobicContact CD2-CD2 4.1Å; L244-Y248 HydrophobicContact CD2-CE2 4.33Å; L244-Y248 PolarHBondContact O-N 2.72Å; L244-I256 HydrophobicContact CB-CD1 4.02Å; L244-I256 HydrophobicContact CD1-CD1 3.95Å
245I94.6Very high92.9Very high47 Ų4767 Ų6724%0.24132%0.324CS..Hα-helixtrans-63.9-37.8179.8-68.7167000110.8M241 K242 D243 P249 I256 H257 L260 F276M241-I245 VanDerWaalsContact O-CG1 3.31Å; M241-I245 WeakPolarHBondContact O-CG1 3.37Å; M241-I245 PolarHBondContact O-N 2.64Å; K242-I245 PolarHBondContact O-N 2.94Å; D243-I245 PolarHBondContact O-N 3.41Å; I245-P249 WeakPolarHBondContact O-CA 3.39Å; I245-I256 HydrophobicContact CD1-CB 4.41Å; I245-I256 HydrophobicContact CD1-CG2 4.09Å; I245-I256 HydrophobicContact CG1-CB 4.17Å; I245-I256 HydrophobicContact CG1-CG2 4.01Å; I245-H257 HydrophobicContact CD1-CB 4.26Å; I245-L260 HydrophobicContact CD1-CB 4.39Å; I245-L260 HydrophobicContact CD1-CD2 3.77Å; I245-F276 HydrophobicContact CD1-CZ 4.12Å
246K94.8Very high92.7Very high175 Ų17558.9 Ų58.976%0.76129%0.289SS*.Hα-helixtrans-72.1-43.3179.4-176.8-174.9175.5-172.10112.4K242 D243 L244K242-K246 WeakPolarHBondContact O-CB 3.27Å; K242-K246 PolarHBondContact O-N 2.93Å; D243-K246 PolarHBondContact O-N 2.98Å; L244-K246 VanDerWaalsContact C-N 3.29Å; L244-K246 PolarHBondContact O-N 3.1Å
247E94.9Very high92.6Very high101 Ų10155.5 Ų55.547%0.47227%0.273SS..Hα-helixtrans-76.9-31.9-176.6-70.6168.2-153.200112.2R221 D243 L244 P249R221-E247 IonicContact CZ-OE2 3.12Å; R221-E247 IonicContact NH1-OE1 3.01Å; R221-E247 IonicContact NH1-OE2 2.75Å; R221-E247 PolarHBondContact NH1-OE2 3.02Å; R221-E247 IonicContact NH2-OE1 3.66Å; R221-E247 IonicContact NH2-OE2 2.69Å; D243-E247 VanDerWaalsContact O-CB 3.29Å; D243-E247 WeakPolarHBondContact O-CB 3.32Å; D243-E247 VanDerWaalsContact O-CG 3.24Å; D243-E247 WeakPolarHBondContact O-CG 3.45Å; D243-E247 PolarHBondContact O-N 3.41Å; L244-E247 PolarHBondContact O-N 3.32Å; E247-P249 VanDerWaalsContact C-CD 3.46Å
248Y93.7Very high92.5Very high53 Ų5355.8 Ų55.821%0.20827%0.274CS..  trans-129.459.2-175.5-56.1-83.4000112.9F217 V218 L244 N250 L251F217-Y248 HydrophobicContact CD1-CE2 4.3Å; F217-Y248 HydrophobicContact CE1-CE2 4.03Å; F217-Y248 VanDerWaalsContact CE1-OH 3.29Å; F217-Y248 WeakPolarHBondContact CE1-OH 3.37Å; V218-Y248 HydrophobicContact CG2-CD1 4.14Å; V218-Y248 HydrophobicContact CG2-CD2 3.83Å; V218-Y248 HydrophobicContact CG2-CE1 4.35Å; V218-Y248 HydrophobicContact CG2-CE2 4.07Å; V218-Y248 HydrophobicContact CG2-CG 3.87Å; L244-Y248 HydrophobicContact CD2-CD2 4.1Å; L244-Y248 HydrophobicContact CD2-CE2 4.33Å; L244-Y248 PolarHBondContact O-N 2.72Å; Y248-N250 PolarHBondContact O-N 3.49Å; Y248-N250 VanDerWaalsContact O-N 3.15Å; Y248-L251 HydrophobicContact CD1-CD1 3.79Å; Y248-L251 HydrophobicContact CG-CD1 4.09Å; Y248-L251 PolarHBondContact O-N 2.93Å; Y248-L251 VanDerWaalsContact O-N 3.07Å
249P87.8Confident92.4Very high87 Ų8755.5 Ų55.557%0.56527%0.273SS*.THydrogen-bonded Turntrans-61.7-28.1-174.725.5-35.1000113.5I245 E247 L251I245-P249 WeakPolarHBondContact O-CA 3.39Å; E247-P249 VanDerWaalsContact C-CD 3.46Å; P249-L251 VanDerWaalsContact C-N 3.32Å; P249-L251 PolarHBondContact O-N 2.67Å
250N82.3Confident92.4Very high157 Ų15749 Ų4984%0.8425%0.245SC*.THydrogen-bonded Turntrans-83.3-4.4-179.1-62.1-22.9000113.5Y248 N252Y248-N250 PolarHBondContact O-N 3.49Å; Y248-N250 VanDerWaalsContact O-N 3.15Å; N250-N252 PolarHBondContact O-N 3.47Å
251L81.2Confident92.4Very high38 Ų3847.2 Ų47.220%0.19924%0.236CC..  trans-102.455.2179.5-65.7174.4000111.5I214 V218 Y248 P249 L253I214-L251 HydrophobicContact CG2-CD1 3.15Å; I214-L251 HydrophobicContact CG2-CD2 4.47Å; I214-L251 HydrophobicContact CG2-CG 4.41Å; V218-L251 HydrophobicContact CG2-CD1 3.92Å; Y248-L251 HydrophobicContact CD1-CD1 3.79Å; Y248-L251 HydrophobicContact CG-CD1 4.09Å; Y248-L251 PolarHBondContact O-N 2.93Å; Y248-L251 VanDerWaalsContact O-N 3.07Å; P249-L251 VanDerWaalsContact C-N 3.32Å; P249-L251 PolarHBondContact O-N 2.67Å; L251-L253 PolarHBondContact O-N 3.16Å
252N79.6Confident92.4Very high71 Ų7147.3 Ų47.338%0.3824%0.236SC..G310 helixtrans-69.83.7175.1-163.129.9000113.5N250 F254 N255 H257N250-N252 PolarHBondContact O-N 3.47Å; N252-F254 PolarHBondContact O-N 2.91Å; N252-N255 PolarHBondContact O-N 3.42Å; N252-N255 PolarHBondContact O-OD1 2.92Å; N252-H257 PolarHBondContact OD1-CE1 3.29Å; N252-H257 PolarHBondContact OD1-ND1 2.86Å; N252-H257 VanDerWaalsContact OD1-ND1 3.1Å
253L80.1Confident92.5Very high69 Ų6942.7 Ų42.736%0.36122%0.216SC..G310 helixtrans-49.5-32.7-179.7178.763.9000114F119 L251F119-L253 HydrophobicContact CD1-CD2 3.6Å; F119-L253 HydrophobicContact CE1-CD1 3.74Å; F119-L253 HydrophobicContact CE1-CD2 3.33Å; F119-L253 HydrophobicContact CE1-CG 3.95Å; F119-L253 HydrophobicContact CE2-CD2 4.44Å; F119-L253 HydrophobicContact CG-CD2 4.33Å; F119-L253 HydrophobicContact CZ-CD1 3.83Å; F119-L253 HydrophobicContact CZ-CD2 3.79Å; F119-L253 HydrophobicContact CZ-CG 4Å; L251-L253 PolarHBondContact O-N 3.16Å
254F88.7Confident92.5Very high3 Ų340.8 Ų40.81%0.01321%0.205CC..G310 helixtrans-103.24.9-175.8-52.7-61.7000114.7F119 V218 F219 R222 N252 I256F119-F254 HydrophobicContact CD2-CE1 4.02Å; F119-F254 HydrophobicContact CE2-CE1 4.01Å; V218-F254 HydrophobicContact CB-CE2 4.09Å; V218-F254 HydrophobicContact CG1-CD2 3.64Å; V218-F254 HydrophobicContact CG1-CE2 3.7Å; F219-F254 HydrophobicContact CB-CE1 4.5Å; F219-F254 HydrophobicContact CB-CE2 4.42Å; F219-F254 HydrophobicContact CB-CZ 4.04Å; F219-F254 HydrophobicContact CD2-CD1 4.23Å; F219-F254 AromaticContact CD2-CE1 3.79Å; F219-F254 HydrophobicContact CD2-CE1 3.79Å; F219-F254 HydrophobicContact CD2-CZ 4.18Å; R222-F254 PolarHBondContact NE-O 3.02Å; N252-F254 PolarHBondContact O-N 2.91Å; F254-I256 HydrophobicContact CB-CG1 4.08Å; F254-I256 PolarHBondContact O-N 3.46Å; F254-I256 VanDerWaalsContact O-N 3.13Å
255N92.7Very high92.6Very high14 Ų1440.8 Ų40.88%0.07521%0.205CC..  trans48.140.8179.4-61.9-48.2000113.9P83 N252 H257 E258P83-N255 HydrophobicContact CB-CB 4.06Å; P83-N255 HydrophobicContact CG-CB 4.32Å; N252-N255 PolarHBondContact O-N 3.42Å; N252-N255 PolarHBondContact O-OD1 2.92Å; N255-H257 PolarHBondContact O-N 3.49Å; N255-E258 HydrophobicContact CB-CG 4.47Å; N255-E258 PolarHBondContact O-N 3.46Å
256I95.2Very high92.8Very high9 Ų939.7 Ų39.75%0.04620%0.203CC..Hα-helixtrans-57.4-28.5-175.3-59.8167.6000111.8V218 R222 M241 L244 I245 F254 E258 N259 L260V218-I256 HydrophobicContact CG1-CD1 4.11Å; R222-I256 HydrophobicContact CB-CG1 4.49Å; R222-I256 HydrophobicContact CG-CG1 4.15Å; M241-I256 HydrophobicContact CB-CG2 3.89Å; M241-I256 HydrophobicContact CG-CG2 3.95Å; L244-I256 HydrophobicContact CB-CD1 4.02Å; L244-I256 HydrophobicContact CD1-CD1 3.95Å; I245-I256 HydrophobicContact CD1-CB 4.41Å; I245-I256 HydrophobicContact CD1-CG2 4.09Å; I245-I256 HydrophobicContact CG1-CB 4.17Å; I245-I256 HydrophobicContact CG1-CG2 4.01Å; F254-I256 HydrophobicContact CB-CG1 4.08Å; F254-I256 PolarHBondContact O-N 3.46Å; F254-I256 VanDerWaalsContact O-N 3.13Å; I256-E258 PolarHBondContact O-N 3.29Å; I256-N259 WeakPolarHBondContact O-CB 3.24Å; I256-N259 PolarHBondContact O-N 3.39Å; I256-N259 VanDerWaalsContact O-N 3.14Å; I256-L260 PolarHBondContact O-N 3.38Å
257H94.7Very high93Very high3 Ų332.8 Ų32.81%0.01418%0.179CC..Hα-helixtrans-58.2-34.9177.163.6-88.5000112.8I245 N252 N255 L260 I261 F276 Y280I245-H257 HydrophobicContact CD1-CB 4.26Å; N252-H257 PolarHBondContact OD1-CE1 3.29Å; N252-H257 PolarHBondContact OD1-ND1 2.86Å; N252-H257 VanDerWaalsContact OD1-ND1 3.1Å; N255-H257 PolarHBondContact O-N 3.49Å; H257-L260 PolarHBondContact O-N 2.78Å; H257-I261 WeakPolarHBondContact O-CD1 3.33Å; H257-I261 VanDerWaalsContact O-CG1 3.29Å; H257-I261 WeakPolarHBondContact O-CG1 3.31Å; H257-I261 PolarHBondContact O-N 3.37Å; H257-F276 HydrophobicContact CB-CE1 3.9Å; H257-F276 HydrophobicContact CB-CZ 3.91Å; H257-Y280 HydrophobicContact CB-CE2 4.42Å; H257-Y280 WeakPolarHBondContact CB-OH 3.5Å; H257-Y280 AromaticContact CD2-CE1 3.53Å; H257-Y280 AromaticContact CD2-CZ 3.58Å; H257-Y280 AromaticContact CG-CZ 3.71Å; H257-Y280 AromaticContact NE2-CE1 3.84Å
258E96.8Very high93.1Very high6 Ų634.7 Ų34.73%0.02819%0.188CC..Hα-helixtrans-67.2-45.1175.1-62.6-160.3-161.800111.1P83 Y84 N255 I256 L260 I261 E262 S288 T290P83-E258 HydrophobicContact CB-CB 4.14Å; P83-E258 HydrophobicContact CG-CB 3.99Å; P83-E258 HydrophobicContact CG-CG 4.35Å; P83-E258 WeakPolarHBondContact CG-OE2 3.35Å; Y84-E258 HydrophobicContact CE2-CB 4.32Å; Y84-E258 VanDerWaalsContact OH-C 3.31Å; Y84-E258 PolarHBondContact OH-O 2.81Å; N255-E258 HydrophobicContact CB-CG 4.47Å; N255-E258 PolarHBondContact O-N 3.46Å; I256-E258 PolarHBondContact O-N 3.29Å; E258-L260 VanDerWaalsContact C-N 3.25Å; E258-L260 PolarHBondContact O-N 3.36Å; E258-I261 PolarHBondContact O-N 3.2Å; E258-E262 PolarHBondContact O-N 3.35Å; E258-E262 VanDerWaalsContact O-N 3.15Å; E258-S288 VanDerWaalsContact CD-OG 3.23Å; E258-S288 WeakPolarHBondContact OE1-CB 3.46Å; E258-S288 PolarHBondContact OE1-OG 3.01Å; E258-T290 HydrophobicContact CB-CG2 3.95Å; E258-T290 HydrophobicContact CG-CG2 4.16Å; E258-T290 WeakPolarHBondContact OE2-CB 3.46Å; E258-T290 PolarHBondContact OE2-OG1 2.97Å
259N97.6Very high93.3Very high5 Ų535.3 Ų35.33%0.02719%0.193CC..Hα-helixtrans-58.9-38.8174.9-61.3132.2000112.3P83 R222 M241 I256 E262 C263P83-N259 PolarHBondContact O-ND2 2.91Å; P83-N259 PolarHBondContact O-OD1 2.88Å; R222-N259 PolarHBondContact NE-OD1 2.82Å; M241-N259 HydrophobicContact CE-CB 3.62Å; M241-N259 VanDerWaalsContact SD-C 3.53Å; M241-N259 HydrophobicContact SD-CB 3.67Å; I256-N259 WeakPolarHBondContact O-CB 3.24Å; I256-N259 PolarHBondContact O-N 3.39Å; I256-N259 VanDerWaalsContact O-N 3.14Å; N259-E262 PolarHBondContact O-N 3.33Å; N259-C263 WeakPolarHBondContact O-CB 3.1Å; N259-C263 PolarHBondContact O-N 2.86Å; N259-C263 PolarHBondContact O-SG 3.06Å
260L97.8Very high93.8Very high1 Ų133 Ų331%0.00517%0.173CC..Hα-helixtrans-66.5-41.3178.3178.658.2000111.9I238 M241 K242 I245 I256 H257 E258 C263 Y264 F276I238-L260 HydrophobicContact CB-CD1 4.42Å; I238-L260 HydrophobicContact CG1-CD1 4.43Å; I238-L260 HydrophobicContact CG2-CD1 4.03Å; M241-L260 HydrophobicContact CB-CB 4.14Å; M241-L260 HydrophobicContact CB-CD1 4.12Å; M241-L260 HydrophobicContact SD-CB 4.21Å; M241-L260 PolarHBondContact SD-N 3.3Å; K242-L260 HydrophobicContact CG-CD1 4.02Å; K242-L260 HydrophobicContact CG-CD2 3.88Å; I245-L260 HydrophobicContact CD1-CB 4.39Å; I245-L260 HydrophobicContact CD1-CD2 3.77Å; I256-L260 PolarHBondContact O-N 3.38Å; H257-L260 PolarHBondContact O-N 2.78Å; E258-L260 VanDerWaalsContact C-N 3.25Å; E258-L260 PolarHBondContact O-N 3.36Å; L260-C263 PolarHBondContact O-N 3.4Å; L260-Y264 HydrophobicContact CD1-CD2 4.25Å; L260-Y264 HydrophobicContact CD1-CE1 4.23Å; L260-Y264 HydrophobicContact CD1-CE2 3.82Å; L260-Y264 HydrophobicContact CD2-CE2 4.06Å; L260-Y264 HydrophobicContact CG-CD2 4.09Å; L260-Y264 HydrophobicContact CG-CE2 3.65Å; L260-Y264 WeakPolarHBondContact O-CD2 3.47Å; L260-Y264 PolarHBondContact O-N 3.07Å; L260-F276 HydrophobicContact CD2-CD2 4.31Å; L260-F276 HydrophobicContact CD2-CE1 4.25Å; L260-F276 HydrophobicContact CD2-CE2 3.87Å; L260-F276 HydrophobicContact CD2-CZ 3.84Å
261I98.1Very high94.6Very high0 Ų029.4 Ų29.40%017%0.165CC..Hα-helixtrans-57.4-50.4175.5-70.6159.1000110.2H257 E258 C263 Y264 L265 F276 L277 T290 T294H257-I261 WeakPolarHBondContact O-CD1 3.33Å; H257-I261 VanDerWaalsContact O-CG1 3.29Å; H257-I261 WeakPolarHBondContact O-CG1 3.31Å; H257-I261 PolarHBondContact O-N 3.37Å; E258-I261 PolarHBondContact O-N 3.2Å; I261-C263 VanDerWaalsContact C-N 3.32Å; I261-C263 PolarHBondContact O-N 3.38Å; I261-Y264 PolarHBondContact O-N 3.17Å; I261-L265 PolarHBondContact O-N 2.85Å; I261-L265 VanDerWaalsContact O-N 3.16Å; I261-F276 HydrophobicContact CD1-CD1 4.26Å; I261-F276 HydrophobicContact CD1-CE1 4.28Å; I261-F276 HydrophobicContact CG1-CD1 3.71Å; I261-F276 HydrophobicContact CG1-CE1 3.98Å; I261-L277 HydrophobicContact CD1-CD2 3.61Å; I261-L277 HydrophobicContact CD1-CG 4.31Å; I261-L277 HydrophobicContact CG1-CD2 4.23Å; I261-L277 HydrophobicContact CG1-CG 4.41Å; I261-T290 HydrophobicContact CB-CG2 4.19Å; I261-T290 HydrophobicContact CD1-CG2 4.2Å; I261-T290 HydrophobicContact CG2-CG2 4.05Å; I261-T294 HydrophobicContact CG2-CG2 3.7Å
262E98.3Very high95.4Very high4 Ų431 Ų312%0.01917%0.173CC..Hα-helixtrans-61.3-40.5178-168.1-74.3143.500111.8Y84 R229 E258 N259 Y264 L265 A266 F369 H373Y84-E262 HydrophobicContact CE1-CB 3.79Å; Y84-E262 HydrophobicContact CE1-CG 4.07Å; R229-E262 IonicContact CZ-OE1 3.93Å; R229-E262 IonicContact CZ-OE2 2.67Å; R229-E262 IonicContact NE-OE1 3.61Å; R229-E262 PolarHBondContact NE-OE1 2.59Å; R229-E262 IonicContact NE-OE2 2.72Å; R229-E262 PolarHBondContact NE-OE2 2.81Å; R229-E262 IonicContact NH2-OE1 3.8Å; R229-E262 PolarHBondContact NH2-OE1 3.21Å; R229-E262 IonicContact NH2-OE2 2.72Å; E258-E262 PolarHBondContact O-N 3.35Å; E258-E262 VanDerWaalsContact O-N 3.15Å; N259-E262 PolarHBondContact O-N 3.33Å; E262-Y264 VanDerWaalsContact C-N 3.33Å; E262-Y264 PolarHBondContact O-N 3.26Å; E262-L265 WeakPolarHBondContact O-CB 3.43Å; E262-L265 PolarHBondContact O-N 2.88Å; E262-A266 WeakPolarHBondContact O-CB 3.45Å; E262-A266 PolarHBondContact O-N 2.66Å; E262-F369 HydrophobicContact CG-CB 4.22Å; E262-H373 IonicContact OE1-CD2 3.89Å; E262-H373 IonicContact OE1-CE1 3.82Å; E262-H373 PolarHBondContact OE1-CE1 3.03Å; E262-H373 IonicContact OE1-NE2 3.62Å; E262-H373 PolarHBondContact OE1-NE2 3.37Å
263C98.7Very high96.2Very high1 Ų127.6 Ų27.61%0.00716%0.155CC..Hα-helixtrans-63.6-36.6177.1-71.50000112.7I238 M241 N259 L260 I261 A266 A267I238-C263 HydrophobicContact CD1-CB 4.4Å; I238-C263 HydrophobicContact CG1-CB 3.66Å; M241-C263 HydrophobicContact SD-CB 4.47Å; N259-C263 WeakPolarHBondContact O-CB 3.1Å; N259-C263 PolarHBondContact O-N 2.86Å; N259-C263 PolarHBondContact O-SG 3.06Å; L260-C263 PolarHBondContact O-N 3.4Å; I261-C263 VanDerWaalsContact C-N 3.32Å; I261-C263 PolarHBondContact O-N 3.38Å; C263-A266 PolarHBondContact O-N 2.9Å; C263-A267 WeakPolarHBondContact O-CB 3.37Å; C263-A267 PolarHBondContact O-N 2.72Å
264Y98.7Very high97Very high11 Ų1127.6 Ų27.64%0.04315%0.154CC..Hα-helixtrans-63.9-42.7173.4-74.8-45.7000111.7I238 K242 L260 I261 E262 A267 Q268 Q269 D272 A273 F276I238-Y264 HydrophobicContact CD1-CD1 4.06Å; I238-Y264 HydrophobicContact CD1-CE1 4.46Å; I238-Y264 HydrophobicContact CG1-CD1 4.47Å; I238-Y264 HydrophobicContact CG2-CD1 4.35Å; I238-Y264 HydrophobicContact CG2-CE1 3.73Å; K242-Y264 WeakPolarHBondContact CD-OH 3.4Å; L260-Y264 HydrophobicContact CD1-CD2 4.25Å; L260-Y264 HydrophobicContact CD1-CE1 4.23Å; L260-Y264 HydrophobicContact CD1-CE2 3.82Å; L260-Y264 HydrophobicContact CD2-CE2 4.06Å; L260-Y264 HydrophobicContact CG-CD2 4.09Å; L260-Y264 HydrophobicContact CG-CE2 3.65Å; L260-Y264 WeakPolarHBondContact O-CD2 3.47Å; L260-Y264 PolarHBondContact O-N 3.07Å; I261-Y264 PolarHBondContact O-N 3.17Å; E262-Y264 VanDerWaalsContact C-N 3.33Å; E262-Y264 PolarHBondContact O-N 3.26Å; Y264-A267 CarbonylContact O-C 3.57Å; Y264-A267 PolarHBondContact O-N 2.79Å; Y264-Q268 PolarHBondContact O-N 2.79Å; Y264-Q268 VanDerWaalsContact O-N 3.12Å; Y264-Q269 HydrophobicContact CD1-CB 4Å; Y264-Q269 PolarHBondContact O-N 2.85Å; Y264-D272 HydrophobicContact CD1-CB 3.75Å; Y264-D272 HydrophobicContact CD2-CB 4.36Å; Y264-D272 HydrophobicContact CE1-CB 3.64Å; Y264-D272 HydrophobicContact CE2-CB 4.25Å; Y264-D272 HydrophobicContact CG-CB 4.12Å; Y264-A273 HydrophobicContact CD2-CB 4.48Å; Y264-F276 HydrophobicContact CE2-CB 4.06Å; Y264-F276 HydrophobicContact CE2-CG 4.22Å
265L98.6Very high97.4Very high1 Ų130.6 Ų30.61%0.00518%0.179CC..Hα-helixtrans-62-46.9175.3-62.1178.3000111.4I261 E262 A267 Q268 Y270 A273 T294 L297 L298 H373I261-L265 PolarHBondContact O-N 2.85Å; I261-L265 VanDerWaalsContact O-N 3.16Å; E262-L265 WeakPolarHBondContact O-CB 3.43Å; E262-L265 PolarHBondContact O-N 2.88Å; L265-A267 PolarHBondContact O-N 3.35Å; L265-Q268 WeakPolarHBondContact O-CA 3.49Å; L265-Q268 PolarHBondContact O-N 3.07Å; L265-Y270 HydrophobicContact CD2-CD1 4.02Å; L265-Y270 HydrophobicContact CD2-CE1 4.22Å; L265-A273 HydrophobicContact CD2-CB 4.3Å; L265-T294 HydrophobicContact CD1-CG2 3.73Å; L265-T294 HydrophobicContact CD2-CG2 4.02Å; L265-T294 HydrophobicContact CG-CG2 4.2Å; L265-L297 HydrophobicContact CD1-CD2 4.38Å; L265-L298 HydrophobicContact CD2-CD2 4.05Å; L265-H373 HydrophobicContact CB-CB 4.42Å; L265-H373 HydrophobicContact CD1-CB 4.18Å
266A98.3Very high97.5Very high24 Ų2431 Ų3120%0.19818%0.18CC..Hα-helixtrans-60.1-33.6177.900000112.6L234 E262 C263 Q268L234-A266 HydrophobicContact CD1-CB 4.16Å; L234-A266 WeakPolarHBondContact CD1-O 3.42Å; L234-A266 HydrophobicContact CD2-CB 4.12Å; E262-A266 WeakPolarHBondContact O-CB 3.45Å; E262-A266 PolarHBondContact O-N 2.66Å; C263-A266 PolarHBondContact O-N 2.9Å; A266-Q268 VanDerWaalsContact C-N 3.27Å
267A98.3Very high97.5Very high31 Ų3130.8 Ų30.826%0.25618%0.179SC..THydrogen-bonded Turntrans-84.32.2175.100000113.6L234 I238 C263 Y264 L265 Q269L234-A267 HydrophobicContact CB-CB 4.29Å; L234-A267 HydrophobicContact CD1-CB 4.07Å; I238-A267 HydrophobicContact CD1-CB 3.75Å; C263-A267 WeakPolarHBondContact O-CB 3.37Å; C263-A267 PolarHBondContact O-N 2.72Å; Y264-A267 CarbonylContact O-C 3.57Å; Y264-A267 PolarHBondContact O-N 2.79Å; L265-A267 PolarHBondContact O-N 3.35Å; A267-Q269 HydrophobicContact CB-CG 3.99Å; A267-Q269 PolarHBondContact O-N 2.61Å
268Q97.9Very high97.4Very high140 Ų14033.3 Ų33.365%0.65420%0.2SC*.THydrogen-bonded Turntrans55.226.3-173.4-54.9-174.914.500113.8Y264 L265 A266 Y270Y264-Q268 PolarHBondContact O-N 2.79Å; Y264-Q268 VanDerWaalsContact O-N 3.12Å; L265-Q268 WeakPolarHBondContact O-CA 3.49Å; L265-Q268 PolarHBondContact O-N 3.07Å; A266-Q268 VanDerWaalsContact C-N 3.27Å; Q268-Y270 HydrophobicContact CB-CE2 3.82Å; Q268-Y270 HydrophobicContact CG-CE2 4.38Å; Q268-Y270 WeakPolarHBondContact O-CD2 3.37Å; Q268-Y270 PolarHBondContact O-N 3.4Å; Q268-Y270 VanDerWaalsContact O-N 3.08Å
269Q98.3Very high97.1Very high66 Ų6639.2 Ų39.231%0.30823%0.225SC..  trans-85.959.7176-68.6-174.7-1500110.1Y264 A267 A271 D272 A273Y264-Q269 HydrophobicContact CD1-CB 4Å; Y264-Q269 PolarHBondContact O-N 2.85Å; A267-Q269 HydrophobicContact CB-CG 3.99Å; A267-Q269 PolarHBondContact O-N 2.61Å; Q269-A271 VanDerWaalsContact C-N 3.29Å; Q269-A271 PolarHBondContact O-N 3.47Å; Q269-D272 HydrophobicContact CB-CB 4.14Å; Q269-D272 PolarHBondContact O-N 3.48Å; Q269-A273 PolarHBondContact O-N 3.03Å
270Y98.1Very high96.6Very high40 Ų4039.9 Ų39.916%0.15723%0.228CC..Hα-helixtrans-62.4-33.9-173.7-56.7-66.3000113.3L265 Q268 A273 Q274 L298L265-Y270 HydrophobicContact CD2-CD1 4.02Å; L265-Y270 HydrophobicContact CD2-CE1 4.22Å; Q268-Y270 HydrophobicContact CB-CE2 3.82Å; Q268-Y270 HydrophobicContact CG-CE2 4.38Å; Q268-Y270 WeakPolarHBondContact O-CD2 3.37Å; Q268-Y270 PolarHBondContact O-N 3.4Å; Q268-Y270 VanDerWaalsContact O-N 3.08Å; Y270-A273 PolarHBondContact O-N 2.91Å; Y270-Q274 WeakPolarHBondContact O-CB 3.28Å; Y270-Q274 PolarHBondContact O-N 3.11Å; Y270-L298 HydrophobicContact CD1-CD2 3.87Å; Y270-L298 HydrophobicContact CG-CD2 4.41Å
271A98Very high95.7Very high80 Ų8044.6 Ų44.666%0.66125%0.253SS*.Hα-helixtrans-65.7-41.9176.400000111.6Q269 Q274 A275Q269-A271 VanDerWaalsContact C-N 3.29Å; Q269-A271 PolarHBondContact O-N 3.47Å; A271-Q274 PolarHBondContact O-N 3.29Å; A271-A275 WeakPolarHBondContact O-CB 3.21Å; A271-A275 PolarHBondContact O-N 2.91Å
272D98.2Very high94.6Very high72 Ų7248 Ų4839%0.38527%0.271SS..Hα-helixtrans-66.9-40.6175.6-65.8-67.3000111.4Y264 Q269 A275 F276Y264-D272 HydrophobicContact CD1-CB 3.75Å; Y264-D272 HydrophobicContact CD2-CB 4.36Å; Y264-D272 HydrophobicContact CE1-CB 3.64Å; Y264-D272 HydrophobicContact CE2-CB 4.25Å; Y264-D272 HydrophobicContact CG-CB 4.12Å; Q269-D272 HydrophobicContact CB-CB 4.14Å; Q269-D272 PolarHBondContact O-N 3.48Å; D272-A275 PolarHBondContact O-N 3Å; D272-F276 WeakPolarHBondContact O-CB 3.31Å; D272-F276 PolarHBondContact O-N 3.39Å
273A97.8Very high93.5Very high0 Ų055.2 Ų55.20%031%0.308CS..Hα-helixtrans-59.1-47.1173.400000111.6Y264 L265 Q269 Y270 F276 L277 L298Y264-A273 HydrophobicContact CD2-CB 4.48Å; L265-A273 HydrophobicContact CD2-CB 4.3Å; Q269-A273 PolarHBondContact O-N 3.03Å; Y270-A273 PolarHBondContact O-N 2.91Å; A273-F276 PolarHBondContact O-N 3.21Å; A273-L277 WeakPolarHBondContact O-CB 3.42Å; A273-L277 WeakPolarHBondContact O-CG 3.49Å; A273-L277 PolarHBondContact O-N 2.73Å; A273-L298 HydrophobicContact CB-CD1 4.05Å
274Q97Very high92.3Very high69 Ų6961.5 Ų61.532%0.32234%0.342SS..Hα-helixtrans-62.1-48178.6-173.86844.100111.7Y270 A271 F276 L277 A278 L298Y270-Q274 WeakPolarHBondContact O-CB 3.28Å; Y270-Q274 PolarHBondContact O-N 3.11Å; A271-Q274 PolarHBondContact O-N 3.29Å; Q274-F276 VanDerWaalsContact C-N 3.3Å; Q274-F276 PolarHBondContact O-N 3.1Å; Q274-L277 PolarHBondContact O-N 3.02Å; Q274-A278 PolarHBondContact O-N 3.34Å; Q274-A278 VanDerWaalsContact O-N 3.12Å; Q274-L298 HydrophobicContact CB-CD1 4.11Å; Q274-L298 VanDerWaalsContact OE1-CB 3.27Å
275A96.6Very high91.3Very high65 Ų6566 Ų6654%0.53736%0.359SS..Hα-helixtrans-64.9-35.1179.500000112.2A271 D272A271-A275 WeakPolarHBondContact O-CB 3.21Å; A271-A275 PolarHBondContact O-N 2.91Å; D272-A275 PolarHBondContact O-N 3Å
276F95.3Very high90.6Very high23 Ų2368.6 Ų68.610%0.10138%0.377CS..Hα-helixtrans-71.6-42176.6-171-102.7000112.1I245 H257 L260 I261 Y264 D272 A273 Q274 A278 K279 Y280I245-F276 HydrophobicContact CD1-CZ 4.12Å; H257-F276 HydrophobicContact CB-CE1 3.9Å; H257-F276 HydrophobicContact CB-CZ 3.91Å; L260-F276 HydrophobicContact CD2-CD2 4.31Å; L260-F276 HydrophobicContact CD2-CE1 4.25Å; L260-F276 HydrophobicContact CD2-CE2 3.87Å; L260-F276 HydrophobicContact CD2-CZ 3.84Å; I261-F276 HydrophobicContact CD1-CD1 4.26Å; I261-F276 HydrophobicContact CD1-CE1 4.28Å; I261-F276 HydrophobicContact CG1-CD1 3.71Å; I261-F276 HydrophobicContact CG1-CE1 3.98Å; Y264-F276 HydrophobicContact CE2-CB 4.06Å; Y264-F276 HydrophobicContact CE2-CG 4.22Å; D272-F276 WeakPolarHBondContact O-CB 3.31Å; D272-F276 PolarHBondContact O-N 3.39Å; A273-F276 PolarHBondContact O-N 3.21Å; Q274-F276 VanDerWaalsContact C-N 3.3Å; Q274-F276 PolarHBondContact O-N 3.1Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 2.56Å; F276-K279 PolarHBondContact O-N 2.7Å; F276-Y280 HydrophobicContact CD1-CE2 4.28Å; F276-Y280 AromaticContact CE1-CE2 3.76Å; F276-Y280 HydrophobicContact CE1-CE2 3.76Å; F276-Y280 HydrophobicContact CZ-CE2 4.04Å
277L94.8Very high90.2Very high5 Ų569.8 Ų69.83%0.02638%0.377CS..Hα-helixtrans-65-31.5177.8-81.7168.7000113.5I261 A273 Q274 K279 Y280 I291 T294 L298I261-L277 HydrophobicContact CD1-CD2 3.61Å; I261-L277 HydrophobicContact CD1-CG 4.31Å; I261-L277 HydrophobicContact CG1-CD2 4.23Å; I261-L277 HydrophobicContact CG1-CG 4.41Å; A273-L277 WeakPolarHBondContact O-CB 3.42Å; A273-L277 WeakPolarHBondContact O-CG 3.49Å; A273-L277 PolarHBondContact O-N 2.73Å; Q274-L277 PolarHBondContact O-N 3.02Å; L277-K279 PolarHBondContact O-N 3.45Å; L277-Y280 WeakPolarHBondContact O-CA 3.44Å; L277-Y280 WeakPolarHBondContact O-CB 3.3Å; L277-Y280 PolarHBondContact O-N 2.71Å; L277-I291 HydrophobicContact CD2-CB 4.4Å; L277-I291 HydrophobicContact CD2-CG1 4.41Å; L277-I291 HydrophobicContact CD2-CG2 4.19Å; L277-T294 HydrophobicContact CD1-CG2 3.72Å; L277-L298 HydrophobicContact CD1-CD1 3.68Å
278A93.2Very high90Very high55 Ų5568.3 Ų68.346%0.45537%0.365SS..G310 helixtrans-56.4-25.2178.400000113.4Q274 F276 Y280 D281Q274-A278 PolarHBondContact O-N 3.34Å; Q274-A278 VanDerWaalsContact O-N 3.12Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 2.56Å; A278-Y280 VanDerWaalsContact C-N 3.26Å; A278-Y280 PolarHBondContact O-N 2.92Å; A278-D281 PolarHBondContact O-N 3.15Å
279K89.1Confident90Very high130 Ų13061.7 Ų61.757%0.56533%0.334SS*.G310 helixtrans-69.1-25.2174.1-58.9-179-179-176.50113.1F276 L277 Y285F276-K279 PolarHBondContact O-N 2.7Å; L277-K279 PolarHBondContact O-N 3.45Å; K279-Y285 WeakPolarHBondContact O-CD2 3.17Å
280Y86.6Confident90Very high20 Ų2058.6 Ų58.68%0.07832%0.32CS..G310 helixtrans-95.41.2-178.1-67.7-93.3000112.8H257 F276 L277 A278 D282 Y285 K287 I291H257-Y280 HydrophobicContact CB-CE2 4.42Å; H257-Y280 WeakPolarHBondContact CB-OH 3.5Å; H257-Y280 AromaticContact CD2-CE1 3.53Å; H257-Y280 AromaticContact CD2-CZ 3.58Å; H257-Y280 AromaticContact CG-CZ 3.71Å; H257-Y280 AromaticContact NE2-CE1 3.84Å; F276-Y280 HydrophobicContact CD1-CE2 4.28Å; F276-Y280 AromaticContact CE1-CE2 3.76Å; F276-Y280 HydrophobicContact CE1-CE2 3.76Å; F276-Y280 HydrophobicContact CZ-CE2 4.04Å; L277-Y280 WeakPolarHBondContact O-CA 3.44Å; L277-Y280 WeakPolarHBondContact O-CB 3.3Å; L277-Y280 PolarHBondContact O-N 2.71Å; A278-Y280 VanDerWaalsContact C-N 3.26Å; A278-Y280 PolarHBondContact O-N 2.92Å; Y280-D282 VanDerWaalsContact C-N 3.25Å; Y280-Y285 AromaticContact CD1-CD1 3.98Å; Y280-Y285 HydrophobicContact CD1-CD1 3.98Å; Y280-Y285 HydrophobicContact CD1-CG 4.13Å; Y280-Y285 AromaticContact CE1-CD1 3.84Å; Y280-Y285 HydrophobicContact CE1-CD1 3.84Å; Y280-Y285 HydrophobicContact CE1-CG 4.46Å; Y280-K287 VanDerWaalsContact O-CE 3.27Å; Y280-K287 WeakPolarHBondContact O-CE 3.46Å; Y280-K287 PolarHBondContact O-NZ 3.01Å; Y280-I291 HydrophobicContact CD1-CD1 3.6Å; Y280-I291 HydrophobicContact CD1-CG1 4.4Å; Y280-I291 HydrophobicContact CE1-CD1 4.32Å; Y280-I291 HydrophobicContact CG-CD1 4.07Å; Y280-I291 HydrophobicContact CG-CG1 4.45Å
281D78.9Confident89.9Confident99 Ų9957 Ų5753%0.52931%0.314SS..SBendtrans-70.8-24.8170-76-31.1000111.7A278 I283A278-D281 PolarHBondContact O-N 3.15Å; D281-I283 PolarHBondContact O-N 3.31Å
282D76.4Confident89.8Confident71 Ų7153.6 Ų53.638%0.3829%0.285SS..SBendtrans-59.7133.7173.5179.4-13.9000111Y280 N284 Y285 K287Y280-D282 VanDerWaalsContact C-N 3.25Å; D282-N284 PolarHBondContact O-N 2.81Å; D282-N284 WeakPolarHBondContact OD1-CB 3.37Å; D282-N284 PolarHBondContact OD1-N 2.88Å; D282-N284 PolarHBondContact OD1-ND2 3.43Å; D282-N284 PolarHBondContact OD2-ND2 3.41Å; D282-Y285 HydrophobicContact CB-CD2 3.97Å; D282-Y285 HydrophobicContact CB-CE2 4.45Å; D282-Y285 PolarHBondContact O-N 2.77Å; D282-Y285 VanDerWaalsContact O-N 3.14Å; D282-K287 PolarHBondContact O-NZ 3.29Å
283I74.3Confident89.8Confident156 Ų15650.2 Ų50.280%0.827%0.267SS*.THydrogen-bonded Turntrans-58.9-26.8-179.6-164.9165.2000112.8D281 Y285D281-I283 PolarHBondContact O-N 3.31Å; I283-Y285 PolarHBondContact O-N 3.35Å
284N74.7Confident89.8Confident134 Ų13450.2 Ų50.272%0.71727%0.267SS*.THydrogen-bonded Turntrans-68.7-19.6179.4-64.5-50.4000113.4D282D282-N284 PolarHBondContact O-N 2.81Å; D282-N284 WeakPolarHBondContact OD1-CB 3.37Å; D282-N284 PolarHBondContact OD1-N 2.88Å; D282-N284 PolarHBondContact OD1-ND2 3.43Å; D282-N284 PolarHBondContact OD2-ND2 3.41Å
285Y77.7Confident89.9Confident104 Ų10447.9 Ų47.941%0.40826%0.259SS..SBendtrans-91.7132.6-179.9-75.3-90.2000112K279 Y280 D282 I283 K287K279-Y285 WeakPolarHBondContact O-CD2 3.17Å; Y280-Y285 AromaticContact CD1-CD1 3.98Å; Y280-Y285 HydrophobicContact CD1-CD1 3.98Å; Y280-Y285 HydrophobicContact CD1-CG 4.13Å; Y280-Y285 AromaticContact CE1-CD1 3.84Å; Y280-Y285 HydrophobicContact CE1-CD1 3.84Å; Y280-Y285 HydrophobicContact CE1-CG 4.46Å; D282-Y285 HydrophobicContact CB-CD2 3.97Å; D282-Y285 HydrophobicContact CB-CE2 4.45Å; D282-Y285 PolarHBondContact O-N 2.77Å; D282-Y285 VanDerWaalsContact O-N 3.14Å; I283-Y285 PolarHBondContact O-N 3.35Å; Y285-K287 PolarHBondContact O-N 2.72Å; Y285-K287 PolarHBondContact O-NZ 3.21Å
286P83.2Confident89.9Confident57 Ų5744.8 Ų44.837%0.3723%0.234SC..PPolyproline II helixtrans-63.5130.8-178.827.4-34.5000110.2I291P286-I291 WeakPolarHBondContact O-CD1 3.49Å
287K90Very high90.1Very high49 Ų4943.8 Ų43.821%0.21323%0.229CC..PPolyproline II helixtrans-81.6155.3176.3-54.7-68.2179.9-950110.7Y280 D282 Y285 I291 F334 K357 F405Y280-K287 VanDerWaalsContact O-CE 3.27Å; Y280-K287 WeakPolarHBondContact O-CE 3.46Å; Y280-K287 PolarHBondContact O-NZ 3.01Å; D282-K287 PolarHBondContact O-NZ 3.29Å; Y285-K287 PolarHBondContact O-N 2.72Å; Y285-K287 PolarHBondContact O-NZ 3.21Å; K287-I291 HydrophobicContact CD-CG2 4.31Å; K287-F334 HydrophobicContact CB-CD2 4.15Å; K287-F334 HydrophobicContact CB-CE2 3.8Å; K287-F334 HydrophobicContact CB-CZ 4.48Å; K287-K357 PolarHBondContact O-NZ 2.94Å; K287-F405 HydrophobicContact CB-CE1 4.27Å; K287-F405 HydrophobicContact CG-CE1 4.14Å
288S94.3Very high90.2Very high0 Ų043.9 Ų43.90%023%0.23CC..  trans-152.316617665.70000110.2E258 T290 I291 C292 F334 E362E258-S288 VanDerWaalsContact CD-OG 3.23Å; E258-S288 WeakPolarHBondContact OE1-CB 3.46Å; E258-S288 PolarHBondContact OE1-OG 3.01Å; S288-T290 PolarHBondContact O-N 3.39Å; S288-I291 PolarHBondContact O-N 2.89Å; S288-I291 VanDerWaalsContact O-N 3.11Å; S288-I291 PolarHBondContact OG-N 3.05Å; S288-C292 PolarHBondContact O-N 3.24Å; S288-F334 VanDerWaalsContact CA-CE1 3.48Å; S288-F334 VanDerWaalsContact CA-CZ 3.42Å; S288-E362 WeakPolarHBondContact CA-OE1 3.27Å
289A97.1Very high90.4Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-57.6-39.1176.100000110.9I291 C292 Y293 F334 V338 E362 Y366A289-I291 PolarHBondContact O-N 2.79Å; A289-C292 PolarHBondContact O-N 2.88Å; A289-Y293 HydrophobicContact CB-CD2 4.28Å; A289-Y293 VanDerWaalsContact O-CB 3.31Å; A289-Y293 WeakPolarHBondContact O-CB 3.39Å; A289-Y293 PolarHBondContact O-N 3.26Å; A289-F334 HydrophobicContact CB-CE1 4.46Å; A289-V338 HydrophobicContact CB-CG2 4.18Å; A289-E362 HydrophobicContact CB-CG 3.68Å; A289-E362 PolarHBondContact N-OE1 3.42Å; A289-Y366 HydrophobicContact CB-CD2 4.4Å; A289-Y366 HydrophobicContact CB-CG 4.16Å
290T97.8Very high90.8Very high2 Ų237.5 Ų37.51%0.01219%0.192CC..Hα-helixtrans-55.5-47.8174.9-57.20000112.1Y84 E258 I261 S288 T294Y84-T290 WeakPolarHBondContact CE2-OG1 3.35Å; Y84-T290 VanDerWaalsContact OH-CG2 3.3Å; Y84-T290 WeakPolarHBondContact OH-CG2 3.47Å; Y84-T290 PolarHBondContact OH-OG1 2.92Å; E258-T290 HydrophobicContact CB-CG2 3.95Å; E258-T290 HydrophobicContact CG-CG2 4.16Å; E258-T290 WeakPolarHBondContact OE2-CB 3.46Å; E258-T290 PolarHBondContact OE2-OG1 2.97Å; I261-T290 HydrophobicContact CB-CG2 4.19Å; I261-T290 HydrophobicContact CD1-CG2 4.2Å; I261-T290 HydrophobicContact CG2-CG2 4.05Å; S288-T290 PolarHBondContact O-N 3.39Å; T290-T294 WeakPolarHBondContact O-CB 3.16Å; T290-T294 PolarHBondContact O-N 3.46Å; T290-T294 VanDerWaalsContact O-N 3.17Å; T290-T294 PolarHBondContact O-OG1 2.69Å
291I96.6Very high91.3Very high6 Ų642.3 Ų42.33%0.03121%0.21CC..Hα-helixtrans-66.9-54.6-178.6-66.8165.3000110.2L277 Y280 P286 K287 S288 A289 A295L277-I291 HydrophobicContact CD2-CB 4.4Å; L277-I291 HydrophobicContact CD2-CG1 4.41Å; L277-I291 HydrophobicContact CD2-CG2 4.19Å; Y280-I291 HydrophobicContact CD1-CD1 3.6Å; Y280-I291 HydrophobicContact CD1-CG1 4.4Å; Y280-I291 HydrophobicContact CE1-CD1 4.32Å; Y280-I291 HydrophobicContact CG-CD1 4.07Å; Y280-I291 HydrophobicContact CG-CG1 4.45Å; P286-I291 WeakPolarHBondContact O-CD1 3.49Å; K287-I291 HydrophobicContact CD-CG2 4.31Å; S288-I291 PolarHBondContact O-N 2.89Å; S288-I291 VanDerWaalsContact O-N 3.11Å; S288-I291 PolarHBondContact OG-N 3.05Å; A289-I291 PolarHBondContact O-N 2.79Å; I291-A295 WeakPolarHBondContact O-CB 3.42Å; I291-A295 PolarHBondContact O-N 3.42Å; I291-A295 VanDerWaalsContact O-N 3.07Å
292C96.2Very high92.1Very high9 Ų944 Ų446%0.06122%0.215CC..Hα-helixtrans-69.2-47.2-171.3-61.40000112.4S288 A289 A296 A331 F334S288-C292 PolarHBondContact O-N 3.24Å; A289-C292 PolarHBondContact O-N 2.88Å; C292-A296 PolarHBondContact O-N 2.89Å; C292-A331 HydrophobicContact CB-CB 4Å; C292-F334 HydrophobicContact CB-CB 4.36Å
293Y98.4Very high93Very high1 Ų141.4 Ų41.40%0.00420%0.201CC..Hα-helixtrans-74.5-30.3-178.8-80.2-87.1000112.9A289 A296 L297 A331 V332 N335 V338 P339 L342 Y366 W374A289-Y293 HydrophobicContact CB-CD2 4.28Å; A289-Y293 VanDerWaalsContact O-CB 3.31Å; A289-Y293 WeakPolarHBondContact O-CB 3.39Å; A289-Y293 PolarHBondContact O-N 3.26Å; Y293-A296 PolarHBondContact O-N 3.2Å; Y293-L297 WeakPolarHBondContact O-CB 3.5Å; Y293-L297 PolarHBondContact O-N 3.16Å; Y293-A331 HydrophobicContact CD1-CB 3.81Å; Y293-A331 HydrophobicContact CD2-CB 3.82Å; Y293-A331 HydrophobicContact CE1-CB 3.82Å; Y293-A331 HydrophobicContact CE2-CB 3.83Å; Y293-A331 WeakPolarHBondContact CE2-O 3.4Å; Y293-A331 HydrophobicContact CG-CB 3.8Å; Y293-A331 PolarHBondContact OH-O 3.45Å; Y293-V332 VanDerWaalsContact OH-CA 3.29Å; Y293-V332 WeakPolarHBondContact OH-CA 3.15Å; Y293-V332 PolarHBondContact OH-N 2.76Å; Y293-N335 HydrophobicContact CE2-CB 4.43Å; Y293-N335 WeakPolarHBondContact CE2-O 3.12Å; Y293-N335 PolarHBondContact OH-O 3.08Å; Y293-V338 HydrophobicContact CD1-CG1 3.73Å; Y293-V338 HydrophobicContact CD2-CB 4.12Å; Y293-V338 HydrophobicContact CD2-CG1 3.84Å; Y293-V338 HydrophobicContact CD2-CG2 4.01Å; Y293-V338 HydrophobicContact CE1-CB 3.98Å; Y293-V338 HydrophobicContact CE1-CG1 3.55Å; Y293-V338 HydrophobicContact CE2-CB 3.5Å; Y293-V338 VanDerWaalsContact CE2-CB 3.5Å; Y293-V338 HydrophobicContact CE2-CG1 3.67Å; Y293-V338 HydrophobicContact CE2-CG2 3.56Å; Y293-V338 HydrophobicContact CG-CG1 3.88Å; Y293-V338 VanDerWaalsContact CZ-CB 3.42Å; Y293-P339 HydrophobicContact CE1-CG 4.34Å; Y293-P339 VanDerWaalsContact OH-CD 3.27Å; Y293-P339 WeakPolarHBondContact OH-CD 3.46Å; Y293-P339 WeakPolarHBondContact OH-CG 3.47Å; Y293-L342 HydrophobicContact CD1-CD1 4.16Å; Y293-L342 HydrophobicContact CE1-CD1 4.46Å; Y293-Y366 VanDerWaalsContact CB-CE1 3.46Å; Y293-Y366 VanDerWaalsContact CB-OH 3.25Å; Y293-Y366 WeakPolarHBondContact CB-OH 3.43Å; Y293-Y366 HydrophobicContact CD1-CE1 4.46Å; Y293-Y366 HydrophobicContact CG-CD1 4.48Å; Y293-Y366 AromaticContact CG-CE1 3.97Å; Y293-Y366 HydrophobicContact CG-CE1 3.97Å; Y293-W374 HydrophobicContact CD1-CZ2 4.01Å; Y293-W374 WeakPolarHBondContact O-CZ2 3.43Å
294T98.3Very high94Very high0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-70.8-39.7174-54.10000111.5I261 L265 L277 T290 A296 L297 L298I261-T294 HydrophobicContact CG2-CG2 3.7Å; L265-T294 HydrophobicContact CD1-CG2 3.73Å; L265-T294 HydrophobicContact CD2-CG2 4.02Å; L265-T294 HydrophobicContact CG-CG2 4.2Å; L277-T294 HydrophobicContact CD1-CG2 3.72Å; T290-T294 WeakPolarHBondContact O-CB 3.16Å; T290-T294 PolarHBondContact O-N 3.46Å; T290-T294 VanDerWaalsContact O-N 3.17Å; T290-T294 PolarHBondContact O-OG1 2.69Å; T294-A296 VanDerWaalsContact C-N 3.27Å; T294-A296 PolarHBondContact O-N 3.46Å; T294-L297 PolarHBondContact O-N 3.32Å; T294-L298 HydrophobicContact CG2-CD1 4.25Å; T294-L298 HydrophobicContact CG2-CG 4.3Å; T294-L298 WeakPolarHBondContact O-CG 3.5Å; T294-L298 PolarHBondContact O-N 3.09Å
295A97.4Very high94.8Very high19 Ų1934.7 Ų34.716%0.15716%0.163CC..Hα-helixtrans-59.3-41.1172.100000111.4I291 L298 K299I291-A295 WeakPolarHBondContact O-CB 3.42Å; I291-A295 PolarHBondContact O-N 3.42Å; I291-A295 VanDerWaalsContact O-N 3.07Å; A295-L298 PolarHBondContact O-N 3.44Å; A295-K299 PolarHBondContact O-N 3.12Å
296A97.6Very high95.4Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-62.3-45.8173.500000112.4C292 Y293 T294 L298 K299 A300 A327 I328 A331 W374C292-A296 PolarHBondContact O-N 2.89Å; Y293-A296 PolarHBondContact O-N 3.2Å; T294-A296 VanDerWaalsContact C-N 3.27Å; T294-A296 PolarHBondContact O-N 3.46Å; A296-L298 PolarHBondContact O-N 3.07Å; A296-K299 PolarHBondContact O-N 2.75Å; A296-A300 VanDerWaalsContact O-CB 3.26Å; A296-A300 WeakPolarHBondContact O-CB 3.41Å; A296-A300 PolarHBondContact O-N 2.85Å; A296-A327 HydrophobicContact CB-CB 4.14Å; A296-I328 HydrophobicContact CB-CG1 4.05Å; A296-A331 HydrophobicContact CB-CB 4.24Å; A296-W374 HydrophobicContact CB-CH2 4.43Å
297L98.6Very high95.7Very high2 Ų236.3 Ų36.31%0.0117%0.166CC..Hα-helixtrans-59.8-44.2177175.559.2000112.2L265 Y293 T294 K299 A300 R301 H373 W374 V377 A380L265-L297 HydrophobicContact CD1-CD2 4.38Å; Y293-L297 WeakPolarHBondContact O-CB 3.5Å; Y293-L297 PolarHBondContact O-N 3.16Å; T294-L297 PolarHBondContact O-N 3.32Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 3.44Å; L297-A300 WeakPolarHBondContact O-CB 3.04Å; L297-A300 PolarHBondContact O-N 2.92Å; L297-R301 WeakPolarHBondContact O-CB 3.48Å; L297-R301 PolarHBondContact O-N 2.78Å; L297-H373 HydrophobicContact CD2-CB 3.91Å; L297-W374 HydrophobicContact CB-CD2 4.4Å; L297-W374 HydrophobicContact CB-CH2 4.32Å; L297-W374 HydrophobicContact CB-CZ2 3.84Å; L297-W374 HydrophobicContact CD1-CD2 3.81Å; L297-W374 HydrophobicContact CD1-CE3 3.96Å; L297-W374 HydrophobicContact CD1-CG 4.07Å; L297-W374 HydrophobicContact CD1-CZ3 4.43Å; L297-W374 HydrophobicContact CD2-CG 4.34Å; L297-W374 HydrophobicContact CG-CD2 4.48Å; L297-V377 HydrophobicContact CD1-CB 4.08Å; L297-V377 HydrophobicContact CD1-CG2 3.87Å; L297-A380 HydrophobicContact CD1-CB 4.04Å
298L98.1Very high95.7Very high8 Ų836 Ų364%0.04217%0.17CC..Hα-helixtrans-66.6-35.3-178.8-68.3174.8000112.4L265 Y270 A273 Q274 L277 T294 A295 A296L265-L298 HydrophobicContact CD2-CD2 4.05Å; Y270-L298 HydrophobicContact CD1-CD2 3.87Å; Y270-L298 HydrophobicContact CG-CD2 4.41Å; A273-L298 HydrophobicContact CB-CD1 4.05Å; Q274-L298 HydrophobicContact CB-CD1 4.11Å; Q274-L298 VanDerWaalsContact OE1-CB 3.27Å; L277-L298 HydrophobicContact CD1-CD1 3.68Å; T294-L298 HydrophobicContact CG2-CD1 4.25Å; T294-L298 HydrophobicContact CG2-CG 4.3Å; T294-L298 WeakPolarHBondContact O-CG 3.5Å; T294-L298 PolarHBondContact O-N 3.09Å; A295-L298 PolarHBondContact O-N 3.44Å; A296-L298 PolarHBondContact O-N 3.07Å
299K97.3Very high95.3Very high50 Ų5038.4 Ų38.422%0.21719%0.186CC..Hα-helixtrans-72.5-42.9170.8-70.1-172.9-179.1-167.20112.1A295 A296 L297 R301 Q302 S323 A324 A327A295-K299 PolarHBondContact O-N 3.12Å; A296-K299 PolarHBondContact O-N 2.75Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 3.44Å; K299-R301 PolarHBondContact O-N 3.14Å; K299-Q302 WeakPolarHBondContact O-CB 3.33Å; K299-Q302 PolarHBondContact O-N 3.09Å; K299-S323 VanDerWaalsContact CD-O 3.27Å; K299-S323 WeakPolarHBondContact CD-O 3.23Å; K299-S323 PolarHBondContact NZ-O 3.22Å; K299-S323 PolarHBondContact NZ-OG 2.87Å; K299-A324 HydrophobicContact CB-CB 4Å; K299-A327 HydrophobicContact CD-CB 3.69Å
300A97Very high94.8Very high0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-54.7-41.8174.700000111.1A296 L297 Q302 V303 S304 A380 L383A296-A300 VanDerWaalsContact O-CB 3.26Å; A296-A300 WeakPolarHBondContact O-CB 3.41Å; A296-A300 PolarHBondContact O-N 2.85Å; L297-A300 WeakPolarHBondContact O-CB 3.04Å; L297-A300 PolarHBondContact O-N 2.92Å; A300-Q302 PolarHBondContact O-N 2.78Å; A300-Q302 VanDerWaalsContact O-N 3.1Å; A300-V303 PolarHBondContact O-N 3.15Å; A300-S304 WeakPolarHBondContact O-CB 3.45Å; A300-S304 PolarHBondContact O-N 3.49Å; A300-S304 PolarHBondContact O-OG 3.3Å; A300-A380 HydrophobicContact CB-CB 4.38Å; A300-L383 HydrophobicContact CB-CD2 3.73Å
301R97.1Very high94.3Very high121 Ų12147.6 Ų47.646%0.45724%0.235SC..Hα-helixtrans-55-28.3175.7-177.1-178.6171.5-73.3-5.1114.1L297 K299 V303 V377L297-R301 WeakPolarHBondContact O-CB 3.48Å; L297-R301 PolarHBondContact O-N 2.78Å; K299-R301 PolarHBondContact O-N 3.14Å; R301-V303 VanDerWaalsContact C-N 3.33Å; R301-V377 VanDerWaalsContact CA-CG1 3.46Å; R301-V377 HydrophobicContact CB-CG1 3.63Å; R301-V377 HydrophobicContact CB-CG2 4.17Å; R301-V377 HydrophobicContact CG-CG1 3.85Å; R301-V377 HydrophobicContact CG-CG2 4.12Å
302Q96.2Very high93.9Very high136 Ų13648.1 Ų48.164%0.63624%0.24SC*.Hα-helixtrans-78.4-18.4-179.3-60.2177.85.100113.2K299 A300K299-Q302 WeakPolarHBondContact O-CB 3.33Å; K299-Q302 PolarHBondContact O-N 3.09Å; A300-Q302 PolarHBondContact O-N 2.78Å; A300-Q302 VanDerWaalsContact O-N 3.1Å
303V96.1Very high93.4Very high15 Ų1552.3 Ų52.39%0.09127%0.269CS..Hα-helixtrans-129.5-22.2-169-590000114.5A300 R301 E305 K306 F307 A320 E321 A324 L383A300-V303 PolarHBondContact O-N 3.15Å; R301-V303 VanDerWaalsContact C-N 3.33Å; V303-E305 PolarHBondContact O-N 3.19Å; V303-K306 PolarHBondContact O-N 3.35Å; V303-F307 PolarHBondContact O-N 3.01Å; V303-F307 VanDerWaalsContact O-N 3.13Å; V303-A320 HydrophobicContact CG1-CB 3.65Å; V303-E321 HydrophobicContact CB-CG 4.19Å; V303-E321 HydrophobicContact CG1-CG 4.34Å; V303-A324 HydrophobicContact CG2-CB 3.69Å; V303-L383 HydrophobicContact CG2-CD2 4.05Å
304S93.5Very high93.1Very high7 Ų762.6 Ų62.65%0.04931%0.308CS..G310 helixtrans-63.7-37.1-166.339.70000115.1A300 K306 F307 E378 G379A300-S304 WeakPolarHBondContact O-CB 3.45Å; A300-S304 PolarHBondContact O-N 3.49Å; A300-S304 PolarHBondContact O-OG 3.3Å; S304-K306 PolarHBondContact O-N 3.37Å; S304-F307 PolarHBondContact O-N 2.89Å; S304-E378 VanDerWaalsContact CB-O 3.3Å; S304-E378 WeakPolarHBondContact CB-O 3.4Å; S304-E378 PolarHBondContact OG-O 2.88Å; S304-G379 VanDerWaalsContact CB-C 3.45Å
305E92.1Very high92.8Very high142 Ų14269.5 Ų69.566%0.66433%0.334SS*.G310 helixtrans-58.9-33.1178.6-170.3-170.9158.500112.5V303V303-E305 PolarHBondContact O-N 3.19Å
306K89.6Confident92.4Very high173 Ų17370.2 Ų70.275%0.75234%0.343SS*.G310 helixtrans-105.7-0.5-177.5-62179.3-176.7175.70113V303 S304 S308V303-K306 PolarHBondContact O-N 3.35Å; S304-K306 PolarHBondContact O-N 3.37Å; K306-S308 PolarHBondContact O-N 3.43Å
307F91.2Very high92.1Very high22 Ų2273.4 Ų73.410%0.09636%0.36CS..  trans-73.1121.6-175.8-177.7-98.6000110.3V303 S304 P309 A312 L317 E321 L383 C386V303-F307 PolarHBondContact O-N 3.01Å; V303-F307 VanDerWaalsContact O-N 3.13Å; S304-F307 PolarHBondContact O-N 2.89Å; F307-P309 HydrophobicContact CE1-CG 4.08Å; F307-A312 HydrophobicContact CE2-CB 4.25Å; F307-A312 HydrophobicContact CZ-CB 4.45Å; F307-L317 HydrophobicContact CE2-CD2 3.9Å; F307-E321 HydrophobicContact CD2-CG 4.27Å; F307-L383 HydrophobicContact CD1-CB 4.34Å; F307-L383 HydrophobicContact CD1-CD1 3.58Å; F307-L383 HydrophobicContact CD2-CD1 3.82Å; F307-L383 HydrophobicContact CE1-CD1 3.48Å; F307-L383 VanDerWaalsContact CE1-CD1 3.48Å; F307-L383 HydrophobicContact CE2-CD1 3.73Å; F307-L383 HydrophobicContact CG-CD1 3.74Å; F307-L383 HydrophobicContact CZ-CD1 3.56Å; F307-C386 HydrophobicContact CE1-CB 4.24Å
308S89.2Confident91.9Very high42 Ų4276.1 Ų76.129%0.29437%0.374SS..  trans-125.2121.7174.4168.40000109.2K306 D310 L311 A312K306-S308 PolarHBondContact O-N 3.43Å; S308-D310 VanDerWaalsContact C-N 3.27Å; S308-D310 PolarHBondContact O-N 3.07Å; S308-L311 PolarHBondContact O-N 2.94Å; S308-L311 PolarHBondContact OG-N 3.39Å; S308-A312 WeakPolarHBondContact O-CB 3.48Å; S308-A312 PolarHBondContact O-N 3.43Å
309P86Confident91.7Very high52 Ų5279.8 Ų79.834%0.33841%0.406SS..Hα-helixtrans-56.6-40.2175.8-26.635.3000112.9F307 L311 A312 S313 C386F307-P309 HydrophobicContact CE1-CG 4.08Å; P309-L311 PolarHBondContact O-N 3.37Å; P309-A312 PolarHBondContact O-N 3.26Å; P309-S313 PolarHBondContact O-N 3.01Å; P309-S313 PolarHBondContact O-OG 2.88Å; P309-C386 HydrophobicContact CG-CB 4.24Å; P309-C386 WeakPolarHBondContact CG-SG 3.11Å
310D87.3Confident91.6Very high114 Ų11479.5 Ų79.561%0.6141%0.413SS*.Hα-helixtrans-66.8-36.2179.3-62.3-45.6000112.5S308 S313 R314S308-D310 VanDerWaalsContact C-N 3.27Å; S308-D310 PolarHBondContact O-N 3.07Å; D310-S313 PolarHBondContact O-OG 2.75Å; D310-R314 WeakPolarHBondContact O-CG 3.18Å; D310-R314 PolarHBondContact O-N 3.11Å
311L86.8Confident91.4Very high81 Ų8180 Ų8042%0.42442%0.415SS..Hα-helixtrans-72.1-42.2175.5-176.160.4000110.8S308 P309 S313 R314 R315S308-L311 PolarHBondContact O-N 2.94Å; S308-L311 PolarHBondContact OG-N 3.39Å; P309-L311 PolarHBondContact O-N 3.37Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.17Å; L311-R314 PolarHBondContact O-N 3.13Å; L311-R315 HydrophobicContact CD1-CB 4.39Å; L311-R315 WeakPolarHBondContact O-CB 3.39Å; L311-R315 PolarHBondContact O-N 3.34Å
312A87.5Confident91.2Very high17 Ų1777.9 Ų77.914%0.1441%0.413CS..Hα-helixtrans-61.8-37.9177.100000111.9F307 S308 P309 R314 G316 L317F307-A312 HydrophobicContact CE2-CB 4.25Å; F307-A312 HydrophobicContact CZ-CB 4.45Å; S308-A312 WeakPolarHBondContact O-CB 3.48Å; S308-A312 PolarHBondContact O-N 3.43Å; P309-A312 PolarHBondContact O-N 3.26Å; A312-R314 PolarHBondContact O-N 2.95Å; A312-G316 CarbonylContact O-C 3.56Å; A312-G316 WeakPolarHBondContact O-CA 3.45Å; A312-G316 PolarHBondContact O-N 2.74Å; A312-L317 HydrophobicContact CB-CD2 3.72Å
313S86.6Confident91.2Very high96 Ų9673.4 Ų73.467%0.67140%0.396SS*.Hα-helixtrans-71.1-28177.971.10000113.6P309 D310 L311P309-S313 PolarHBondContact O-N 3.01Å; P309-S313 PolarHBondContact O-OG 2.88Å; D310-S313 PolarHBondContact O-OG 2.75Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.17Å
314R90.9Very high91.1Very high218 Ų21872.7 Ų72.782%0.82339%0.392SS*.Hα-helixtrans-88-42179.6-68.9176.9-174-173.83.5113.5D310 L311 A312D310-R314 WeakPolarHBondContact O-CG 3.18Å; D310-R314 PolarHBondContact O-N 3.11Å; L311-R314 PolarHBondContact O-N 3.13Å; A312-R314 PolarHBondContact O-N 2.95Å
315R92.1Very high91.1Very high145 Ų14573 Ų7355%0.54739%0.393SS..Hα-helixtrans-98.9-18.7-173.9-174.8178.869.5120.4-2.5113.1L311 N318 E321L311-R315 HydrophobicContact CD1-CB 4.39Å; L311-R315 WeakPolarHBondContact O-CB 3.39Å; L311-R315 PolarHBondContact O-N 3.34Å; R315-N318 PolarHBondContact NH2-ND2 2.69Å; R315-E321 IonicContact NH2-OE1 3.91Å; R315-E321 IonicContact NH2-OE2 2.83Å; R315-E321 PolarHBondContact NH2-OE2 3.47Å
316G89.4Confident91.1Very high34 Ų3470.7 Ų70.735%0.35138%0.383SS..  trans78.3171.7-161.300000112.1A312A312-G316 CarbonylContact O-C 3.56Å; A312-G316 WeakPolarHBondContact O-CA 3.45Å; A312-G316 PolarHBondContact O-N 2.74Å
317L91.4Very high91.3Very high67 Ų6762.7 Ų62.735%0.35135%0.348SS..  trans-80.5135.6177-58.8172.6000110F307 A312 E321 L322 V325F307-L317 HydrophobicContact CE2-CD2 3.9Å; A312-L317 HydrophobicContact CB-CD2 3.72Å; L317-E321 HydrophobicContact CB-CB 4.02Å; L317-E321 HydrophobicContact CD2-CB 3.99Å; L317-L322 HydrophobicContact CB-CB 4.19Å; L317-L322 HydrophobicContact CD1-CD1 4.19Å; L317-V325 HydrophobicContact CD1-CB 4.22Å; L317-V325 HydrophobicContact CD1-CG1 4.42Å; L317-V325 HydrophobicContact CD1-CG2 3.91Å
318N93.7Very high91.5Very high58 Ų5861.6 Ų61.631%0.3134%0.344SS..  trans-73.3169.3165.672.860.1000111.1R315 A320 E321 L322R315-N318 PolarHBondContact NH2-ND2 2.69Å; N318-A320 VanDerWaalsContact C-N 3.29Å; N318-A320 PolarHBondContact O-N 3.35Å; N318-A320 WeakPolarHBondContact OD1-CB 3.21Å; N318-A320 PolarHBondContact OD1-N 3.27Å; N318-E321 PolarHBondContact N-OE2 2.7Å; N318-E321 WeakPolarHBondContact ND2-CG 3.41Å; N318-E321 PolarHBondContact ND2-OE1 3.4Å; N318-E321 PolarHBondContact ND2-OE2 2.93Å; N318-E321 PolarHBondContact O-N 3.35Å; N318-E321 VanDerWaalsContact O-N 3.15Å; N318-E321 PolarHBondContact OD1-N 3.35Å; N318-L322 WeakPolarHBondContact O-CB 3.27Å; N318-L322 PolarHBondContact O-N 2.73Å
319A94.4Very high91.5Very high85 Ų8562.3 Ų62.370%0.70234%0.342SS*.Hα-helixtrans-56.8-37.8-175.400000114.1S323A319-S323 WeakPolarHBondContact O-CB 3.36Å; A319-S323 PolarHBondContact O-N 2.68Å
320A94.7Very high91.7Very high44 Ų4464.6 Ų64.636%0.36434%0.344SS..Hα-helixtrans-72.6-42.4178.400000111.4V303 N318 S323 A324V303-A320 HydrophobicContact CG1-CB 3.65Å; N318-A320 VanDerWaalsContact C-N 3.29Å; N318-A320 PolarHBondContact O-N 3.35Å; N318-A320 WeakPolarHBondContact OD1-CB 3.21Å; N318-A320 PolarHBondContact OD1-N 3.27Å; A320-S323 PolarHBondContact O-N 3.23Å; A320-A324 PolarHBondContact O-N 3.19Å
321E94.3Very high92Very high11 Ų1159.2 Ų59.25%0.05132%0.315CS..Hα-helixtrans-61.2-47.1175-72.3166.8161.500110.7V303 F307 R315 L317 N318 S323 A324 V325V303-E321 HydrophobicContact CB-CG 4.19Å; V303-E321 HydrophobicContact CG1-CG 4.34Å; F307-E321 HydrophobicContact CD2-CG 4.27Å; R315-E321 IonicContact NH2-OE1 3.91Å; R315-E321 IonicContact NH2-OE2 2.83Å; R315-E321 PolarHBondContact NH2-OE2 3.47Å; L317-E321 HydrophobicContact CB-CB 4.02Å; L317-E321 HydrophobicContact CD2-CB 3.99Å; N318-E321 PolarHBondContact N-OE2 2.7Å; N318-E321 WeakPolarHBondContact ND2-CG 3.41Å; N318-E321 PolarHBondContact ND2-OE1 3.4Å; N318-E321 PolarHBondContact ND2-OE2 2.93Å; N318-E321 PolarHBondContact O-N 3.35Å; N318-E321 VanDerWaalsContact O-N 3.15Å; N318-E321 PolarHBondContact OD1-N 3.35Å; E321-S323 VanDerWaalsContact C-N 3.33Å; E321-S323 PolarHBondContact O-N 3.06Å; E321-A324 PolarHBondContact O-N 3.15Å; E321-V325 WeakPolarHBondContact O-CG2 3.37Å; E321-V325 PolarHBondContact O-N 2.9Å
322L93Very high92.3Very high77 Ų7755.3 Ų55.340%0.40330%0.295SS..Hα-helixtrans-57.2-46.9176.1-178.363000111L317 N318 A324 V325 E326L317-L322 HydrophobicContact CB-CB 4.19Å; L317-L322 HydrophobicContact CD1-CD1 4.19Å; N318-L322 WeakPolarHBondContact O-CB 3.27Å; N318-L322 PolarHBondContact O-N 2.73Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.34Å; L322-V325 PolarHBondContact O-N 3.47Å; L322-E326 HydrophobicContact CD1-CG 4.37Å; L322-E326 HydrophobicContact CG-CG 4.46Å; L322-E326 WeakPolarHBondContact O-CB 3.43Å; L322-E326 VanDerWaalsContact O-CG 3.32Å; L322-E326 WeakPolarHBondContact O-CG 3.35Å; L322-E326 PolarHBondContact O-N 3.49Å
323S95.1Very high92.3Very high41 Ų4155.3 Ų55.329%0.28729%0.292SS..Hα-helixtrans-62.8-34179-158.70000113.6K299 A319 A320 E321 A327K299-S323 VanDerWaalsContact CD-O 3.27Å; K299-S323 WeakPolarHBondContact CD-O 3.23Å; K299-S323 PolarHBondContact NZ-O 3.22Å; K299-S323 PolarHBondContact NZ-OG 2.87Å; A319-S323 WeakPolarHBondContact O-CB 3.36Å; A319-S323 PolarHBondContact O-N 2.68Å; A320-S323 PolarHBondContact O-N 3.23Å; E321-S323 VanDerWaalsContact C-N 3.33Å; E321-S323 PolarHBondContact O-N 3.06Å; S323-A327 WeakPolarHBondContact O-CB 3.49Å; S323-A327 PolarHBondContact O-N 3.49Å
324A95Very high92.4Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-71.9-44.2175.100000111.4K299 V303 A320 E321 L322 A327 I328 L383K299-A324 HydrophobicContact CB-CB 4Å; V303-A324 HydrophobicContact CG2-CB 3.69Å; A320-A324 PolarHBondContact O-N 3.19Å; E321-A324 PolarHBondContact O-N 3.15Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.34Å; A324-A327 PolarHBondContact O-N 3.39Å; A324-I328 WeakPolarHBondContact O-CG1 3.5Å; A324-I328 PolarHBondContact O-N 2.85Å; A324-L383 HydrophobicContact CB-CD2 4.45Å
325V92.9Very high92.5Very high13 Ų1340.6 Ų40.68%0.07922%0.222CC..Hα-helixtrans-61.7-44.9175.9174.60000110.8L317 E321 L322 A327 I328 H329 L383 T387L317-V325 HydrophobicContact CD1-CB 4.22Å; L317-V325 HydrophobicContact CD1-CG1 4.42Å; L317-V325 HydrophobicContact CD1-CG2 3.91Å; E321-V325 WeakPolarHBondContact O-CG2 3.37Å; E321-V325 PolarHBondContact O-N 2.9Å; L322-V325 PolarHBondContact O-N 3.47Å; V325-A327 VanDerWaalsContact C-N 3.3Å; V325-A327 PolarHBondContact O-N 3.06Å; V325-I328 PolarHBondContact O-N 3.34Å; V325-H329 WeakPolarHBondContact CG1-NE2 3.11Å; V325-H329 PolarHBondContact O-CD2 3.41Å; V325-H329 PolarHBondContact O-N 3.21Å; V325-L383 HydrophobicContact CG2-CD1 4.49Å; V325-T387 HydrophobicContact CG1-CG2 4.35Å; V325-T387 HydrophobicContact CG2-CG2 3.97Å
326E91.9Very high92.4Very high95 Ų9533.8 Ų33.844%0.44420%0.197SC..Hα-helixtrans-60.1-36.8175-75174.5172.400113L322 H329 R330L322-E326 HydrophobicContact CD1-CG 4.37Å; L322-E326 HydrophobicContact CG-CG 4.46Å; L322-E326 WeakPolarHBondContact O-CB 3.43Å; L322-E326 VanDerWaalsContact O-CG 3.32Å; L322-E326 WeakPolarHBondContact O-CG 3.35Å; L322-E326 PolarHBondContact O-N 3.49Å; E326-H329 WeakPolarHBondContact O-CB 3.33Å; E326-H329 PolarHBondContact O-N 2.87Å; E326-R330 PolarHBondContact O-N 3.17Å
327A93.8Very high92.6Very high4 Ų432.5 Ų32.53%0.03318%0.182CC..Hα-helixtrans-71.4-38.3176.600000112.3A296 K299 S323 A324 V325 H329 R330 A331A296-A327 HydrophobicContact CB-CB 4.14Å; K299-A327 HydrophobicContact CD-CB 3.69Å; S323-A327 WeakPolarHBondContact O-CB 3.49Å; S323-A327 PolarHBondContact O-N 3.49Å; A324-A327 PolarHBondContact O-N 3.39Å; V325-A327 VanDerWaalsContact C-N 3.3Å; V325-A327 PolarHBondContact O-N 3.06Å; A327-H329 VanDerWaalsContact C-N 3.27Å; A327-R330 PolarHBondContact O-N 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.42Å; A327-A331 PolarHBondContact O-N 2.9Å
328I94.6Very high92.8Very high0 Ų029.3 Ų29.30%017%0.165CC..Hα-helixtrans-60.9-42.6169-66.8169.4000109.4A296 A324 V325 R330 A331 V332 L383 L384A296-I328 HydrophobicContact CB-CG1 4.05Å; A324-I328 WeakPolarHBondContact O-CG1 3.5Å; A324-I328 PolarHBondContact O-N 2.85Å; V325-I328 PolarHBondContact O-N 3.34Å; I328-R330 PolarHBondContact O-N 3.28Å; I328-A331 PolarHBondContact O-N 3.14Å; I328-A331 VanDerWaalsContact O-N 3.1Å; I328-V332 HydrophobicContact CG2-CG2 4.07Å; I328-V332 WeakPolarHBondContact O-CG2 3.44Å; I328-V332 PolarHBondContact O-N 2.95Å; I328-L383 HydrophobicContact CD1-CD2 4.09Å; I328-L383 HydrophobicContact CD1-CG 3.84Å; I328-L384 HydrophobicContact CG2-CD1 3.93Å
329H90.2Very high93Very high56 Ų5626.6 Ų26.626%0.25915%0.15SC..Hα-helixtrans-58.2-50.1179.9-76.7-153.1000111.5V325 E326 A327 A331 V332 E333 T391V325-H329 WeakPolarHBondContact CG1-NE2 3.11Å; V325-H329 PolarHBondContact O-CD2 3.41Å; V325-H329 PolarHBondContact O-N 3.21Å; E326-H329 WeakPolarHBondContact O-CB 3.33Å; E326-H329 PolarHBondContact O-N 2.87Å; A327-H329 VanDerWaalsContact C-N 3.27Å; H329-A331 VanDerWaalsContact C-N 3.31Å; H329-A331 PolarHBondContact O-N 2.81Å; H329-V332 PolarHBondContact O-N 3.29Å; H329-E333 WeakPolarHBondContact O-CB 3.47Å; H329-E333 PolarHBondContact O-N 2.92Å; H329-T391 VanDerWaalsContact CA-CG2 3.45Å; H329-T391 HydrophobicContact CB-CG2 3.79Å; H329-T391 PolarHBondContact CD2-OG1 2.97Å; H329-T391 PolarHBondContact NE2-OG1 3.3Å
330R90.1Very high93.1Very high101 Ų10125.9 Ų25.938%0.38113%0.131SC..Hα-helixtrans-58.7-40.5174.5-175.5-177.2-55.1150.84.1112.6E326 A327 I328 F334 L404 F405E326-R330 PolarHBondContact O-N 3.17Å; A327-R330 PolarHBondContact O-N 3.32Å; I328-R330 PolarHBondContact O-N 3.28Å; R330-F334 WeakPolarHBondContact O-CB 3.36Å; R330-F334 PolarHBondContact O-N 3.29Å; R330-L404 HydrophobicContact CB-CD1 4.05Å; R330-L404 HydrophobicContact CG-CD1 3.95Å; R330-F405 HydrophobicContact CG-CE2 4.03Å; R330-F405 HydrophobicContact CG-CZ 3.86Å; R330-F405 VanDerWaalsContact O-CE2 3.31Å; R330-F405 WeakPolarHBondContact O-CE2 3.4Å
331A94.1Very high93.2Very high0 Ų023.8 Ų23.80%011%0.114CC..Hα-helixtrans-68.2-42.1-18000000112.6C292 Y293 A296 A327 I328 H329 F334 N335C292-A331 HydrophobicContact CB-CB 4Å; Y293-A331 HydrophobicContact CD1-CB 3.81Å; Y293-A331 HydrophobicContact CD2-CB 3.82Å; Y293-A331 HydrophobicContact CE1-CB 3.82Å; Y293-A331 HydrophobicContact CE2-CB 3.83Å; Y293-A331 WeakPolarHBondContact CE2-O 3.4Å; Y293-A331 HydrophobicContact CG-CB 3.8Å; Y293-A331 PolarHBondContact OH-O 3.45Å; A296-A331 HydrophobicContact CB-CB 4.24Å; A327-A331 WeakPolarHBondContact O-CB 3.42Å; A327-A331 PolarHBondContact O-N 2.9Å; I328-A331 PolarHBondContact O-N 3.14Å; I328-A331 VanDerWaalsContact O-N 3.1Å; H329-A331 VanDerWaalsContact C-N 3.31Å; H329-A331 PolarHBondContact O-N 2.81Å; A331-F334 WeakPolarHBondContact O-CB 3.37Å; A331-F334 PolarHBondContact O-N 3.3Å; A331-N335 PolarHBondContact O-N 2.82Å
332V91.9Very high93.4Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-67.9-39.9175.8174.70000111.2Y293 I328 H329 F334 N335 P336 P339 W388 T391 I395Y293-V332 VanDerWaalsContact OH-CA 3.29Å; Y293-V332 WeakPolarHBondContact OH-CA 3.15Å; Y293-V332 PolarHBondContact OH-N 2.76Å; I328-V332 HydrophobicContact CG2-CG2 4.07Å; I328-V332 WeakPolarHBondContact O-CG2 3.44Å; I328-V332 PolarHBondContact O-N 2.95Å; H329-V332 PolarHBondContact O-N 3.29Å; V332-F334 VanDerWaalsContact C-N 3.3Å; V332-F334 PolarHBondContact O-N 3.25Å; V332-N335 CarbonylContact O-C 3.58Å; V332-N335 VanDerWaalsContact O-C 3.23Å; V332-N335 PolarHBondContact O-N 3.18Å; V332-P336 HydrophobicContact CG1-CB 4.17Å; V332-P336 VanDerWaalsContact O-CA 3.26Å; V332-P336 WeakPolarHBondContact O-CA 3.48Å; V332-P336 WeakPolarHBondContact O-CB 3.49Å; V332-P336 WeakPolarHBondContact O-CD 3.31Å; V332-P339 HydrophobicContact CG2-CG 3.8Å; V332-W388 HydrophobicContact CG2-CB 4.29Å; V332-T391 HydrophobicContact CB-CG2 3.89Å; V332-T391 HydrophobicContact CG1-CG2 3.97Å; V332-I395 HydrophobicContact CG1-CD1 4.39Å
333E87.3Confident93.7Very high16 Ų1620.7 Ų20.78%0.07510%0.098CC..Hα-helixtrans-64.3-36.4174.3-164.4-173.6149.900112.3H329 R358 I395 N403 L404 F405H329-E333 WeakPolarHBondContact O-CB 3.47Å; H329-E333 PolarHBondContact O-N 2.92Å; E333-R358 PolarHBondContact O-NH2 2.84Å; E333-I395 HydrophobicContact CG-CG1 4.41Å; E333-N403 VanDerWaalsContact OE1-CB 3.31Å; E333-N403 WeakPolarHBondContact OE1-CB 3.22Å; E333-N403 PolarHBondContact OE1-N 2.95Å; E333-L404 PolarHBondContact OE1-N 3.12Å; E333-L404 WeakPolarHBondContact OE2-CD1 3.44Å; E333-L404 WeakPolarHBondContact OE2-CG 3.46Å; E333-F405 HydrophobicContact CB-CD2 4.29Å; E333-F405 HydrophobicContact CB-CE2 4.35Å; E333-F405 HydrophobicContact CG-CD2 4.17Å
334F90Very high93.8Very high5 Ų524.4 Ų24.42%0.02211%0.111CC..Hα-helixtrans-62.7-58.9172.2-178.2-97.8000110.8K287 S288 A289 C292 R330 A331 V332 R358 E362 F405 Y408K287-F334 HydrophobicContact CB-CD2 4.15Å; K287-F334 HydrophobicContact CB-CE2 3.8Å; K287-F334 HydrophobicContact CB-CZ 4.48Å; S288-F334 VanDerWaalsContact CA-CE1 3.48Å; S288-F334 VanDerWaalsContact CA-CZ 3.42Å; A289-F334 HydrophobicContact CB-CE1 4.46Å; C292-F334 HydrophobicContact CB-CB 4.36Å; R330-F334 WeakPolarHBondContact O-CB 3.36Å; R330-F334 PolarHBondContact O-N 3.29Å; A331-F334 WeakPolarHBondContact O-CB 3.37Å; A331-F334 PolarHBondContact O-N 3.3Å; V332-F334 VanDerWaalsContact C-N 3.3Å; V332-F334 PolarHBondContact O-N 3.25Å; F334-R358 HydrophobicContact CD1-CG 4.4Å; F334-R358 HydrophobicContact CD2-CG 4.2Å; F334-R358 HydrophobicContact CE1-CG 3.97Å; F334-R358 HydrophobicContact CE2-CG 3.8Å; F334-R358 HydrophobicContact CG-CG 4.49Å; F334-R358 HydrophobicContact CZ-CG 3.66Å; F334-R358 WeakPolarHBondContact O-CB 3.33Å; F334-R358 WeakPolarHBondContact O-CG 3.41Å; F334-R358 PolarHBondContact O-NE 2.98Å; F334-E362 WeakPolarHBondContact CE1-OE2 3.28Å; F334-F405 HydrophobicContact CB-CD2 4.07Å; F334-F405 HydrophobicContact CB-CE1 4.36Å; F334-F405 HydrophobicContact CB-CE2 3.61Å; F334-F405 HydrophobicContact CB-CZ 3.76Å; F334-F405 AromaticContact CD2-CD1 3.78Å; F334-F405 HydrophobicContact CD2-CD1 3.78Å; F334-F405 HydrophobicContact CD2-CD2 4.42Å; F334-F405 AromaticContact CD2-CE1 3.64Å; F334-F405 HydrophobicContact CD2-CE1 3.64Å; F334-F405 HydrophobicContact CD2-CE2 4.31Å; F334-F405 HydrophobicContact CD2-CG 4.16Å; F334-F405 AromaticContact CD2-CZ 3.92Å; F334-F405 HydrophobicContact CD2-CZ 3.92Å; F334-F405 HydrophobicContact CE2-CE1 4.5Å; F334-F405 HydrophobicContact CG-CE1 4.44Å; F334-F405 HydrophobicContact CG-CE2 4.47Å; F334-F405 HydrophobicContact CG-CZ 4.28Å; F334-Y408 PolarHBondContact O-OH 3.39Å
335N92.4Very high93.8Very high0 Ų029 Ų290%013%0.133CC..  trans-140101.3178.7-171.5-29.5000110.7Y293 A331 V332 H337 V338 R358 G359 E362Y293-N335 HydrophobicContact CE2-CB 4.43Å; Y293-N335 WeakPolarHBondContact CE2-O 3.12Å; Y293-N335 PolarHBondContact OH-O 3.08Å; A331-N335 PolarHBondContact O-N 2.82Å; V332-N335 CarbonylContact O-C 3.58Å; V332-N335 VanDerWaalsContact O-C 3.23Å; V332-N335 PolarHBondContact O-N 3.18Å; N335-H337 PolarHBondContact O-N 3.05Å; N335-H337 WeakPolarHBondContact OD1-CB 3.08Å; N335-H337 PolarHBondContact OD1-CD2 3.23Å; N335-H337 PolarHBondContact OD1-N 3.43Å; N335-H337 VanDerWaalsContact OD1-N 3.08Å; N335-V338 HydrophobicContact CB-CG2 4.1Å; N335-R358 VanDerWaalsContact ND2-C 3.29Å; N335-R358 WeakPolarHBondContact ND2-CA 3.34Å; N335-G359 PolarHBondContact ND2-O 3.43Å; N335-E362 PolarHBondContact ND2-OE2 3.16Å
336P90.3Very high93.9Very high3 Ų329.5 Ų29.52%0.01914%0.135CC..THydrogen-bonded Turntrans-81.5-1.9-175.332.5-33.3000112.8V332 P339 F392 Y408 Y429V332-P336 HydrophobicContact CG1-CB 4.17Å; V332-P336 VanDerWaalsContact O-CA 3.26Å; V332-P336 WeakPolarHBondContact O-CA 3.48Å; V332-P336 WeakPolarHBondContact O-CB 3.49Å; V332-P336 WeakPolarHBondContact O-CD 3.31Å; P336-P339 WeakPolarHBondContact O-CD 3.34Å; P336-F392 HydrophobicContact CB-CD2 3.85Å; P336-F392 HydrophobicContact CB-CE2 3.94Å; P336-Y408 WeakPolarHBondContact CD-OH 2.99Å; P336-Y429 HydrophobicContact CB-CE1 4.45Å; P336-Y429 HydrophobicContact CB-CE2 4.41Å; P336-Y429 HydrophobicContact CG-CD1 3.39Å; P336-Y429 HydrophobicContact CG-CD2 4.08Å; P336-Y429 HydrophobicContact CG-CE1 3.5Å; P336-Y429 VanDerWaalsContact CG-CE1 3.5Å; P336-Y429 HydrophobicContact CG-CE2 4.16Å; P336-Y429 HydrophobicContact CG-CG 3.69Å
337H93Very high94Very high7 Ų729.9 Ų29.93%0.03215%0.145CC..THydrogen-bonded Turntrans-80.9-31.1176.6-54.3-63.7000112N335 P339 K340 Y341 R358 G359 A363 S427 Y429N335-H337 PolarHBondContact O-N 3.05Å; N335-H337 WeakPolarHBondContact OD1-CB 3.08Å; N335-H337 PolarHBondContact OD1-CD2 3.23Å; N335-H337 PolarHBondContact OD1-N 3.43Å; N335-H337 VanDerWaalsContact OD1-N 3.08Å; H337-P339 VanDerWaalsContact C-CD 3.45Å; H337-K340 PolarHBondContact O-N 2.89Å; H337-Y341 HydrophobicContact CB-CE2 4.5Å; H337-Y341 VanDerWaalsContact O-CD2 3.27Å; H337-Y341 WeakPolarHBondContact O-CD2 3.38Å; H337-R358 PolarHBondContact CD2-O 3.5Å; H337-R358 VanDerWaalsContact CD2-O 3.25Å; H337-G359 VanDerWaalsContact CD2-C 3.49Å; H337-A363 HydrophobicContact CB-CB 3.68Å; H337-S427 WeakPolarHBondContact ND1-CB 3.36Å; H337-Y429 WeakPolarHBondContact CE1-CB 3.27Å
338V97.1Very high94.1Very high0 Ų032.9 Ų32.90%016%0.16CC..Hα-helixtrans-53.6-46.1-177.9171.70000114.1A289 Y293 N335 K340 Y341 L342 A363 Y366A289-V338 HydrophobicContact CB-CG2 4.18Å; Y293-V338 HydrophobicContact CD1-CG1 3.73Å; Y293-V338 HydrophobicContact CD2-CB 4.12Å; Y293-V338 HydrophobicContact CD2-CG1 3.84Å; Y293-V338 HydrophobicContact CD2-CG2 4.01Å; Y293-V338 HydrophobicContact CE1-CB 3.98Å; Y293-V338 HydrophobicContact CE1-CG1 3.55Å; Y293-V338 HydrophobicContact CE2-CB 3.5Å; Y293-V338 VanDerWaalsContact CE2-CB 3.5Å; Y293-V338 HydrophobicContact CE2-CG1 3.67Å; Y293-V338 HydrophobicContact CE2-CG2 3.56Å; Y293-V338 HydrophobicContact CG-CG1 3.88Å; Y293-V338 VanDerWaalsContact CZ-CB 3.42Å; N335-V338 HydrophobicContact CB-CG2 4.1Å; V338-K340 VanDerWaalsContact C-N 3.3Å; V338-K340 PolarHBondContact O-N 3.18Å; V338-Y341 PolarHBondContact O-N 3Å; V338-L342 HydrophobicContact CG1-CD1 3.54Å; V338-L342 HydrophobicContact CG1-CG 3.82Å; V338-L342 PolarHBondContact O-N 2.89Å; V338-A363 HydrophobicContact CB-CB 4.32Å; V338-A363 HydrophobicContact CG2-CB 3.6Å; V338-Y366 HydrophobicContact CG1-CD1 3.64Å; V338-Y366 HydrophobicContact CG1-CE1 4.02Å; V338-Y366 HydrophobicContact CG2-CD1 4.49Å
339P97.2Very high94.3Very high0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-59.6-39-172.5-25.336.7000112.6Y293 V332 P336 H337 Y341 L342 L343 L384 W388Y293-P339 HydrophobicContact CE1-CG 4.34Å; Y293-P339 VanDerWaalsContact OH-CD 3.27Å; Y293-P339 WeakPolarHBondContact OH-CD 3.46Å; Y293-P339 WeakPolarHBondContact OH-CG 3.47Å; V332-P339 HydrophobicContact CG2-CG 3.8Å; P336-P339 WeakPolarHBondContact O-CD 3.34Å; H337-P339 VanDerWaalsContact C-CD 3.45Å; P339-Y341 VanDerWaalsContact C-N 3.27Å; P339-Y341 PolarHBondContact O-N 3.38Å; P339-L342 PolarHBondContact O-N 3.39Å; P339-L343 HydrophobicContact CB-CD1 4.42Å; P339-L343 VanDerWaalsContact O-CB 3.23Å; P339-L343 WeakPolarHBondContact O-CB 3.49Å; P339-L343 WeakPolarHBondContact O-CG 3.3Å; P339-L343 PolarHBondContact O-N 2.88Å; P339-L384 HydrophobicContact CB-CD1 4.43Å; P339-W388 HydrophobicContact CB-CB 3.94Å; P339-W388 HydrophobicContact CB-CD2 3.85Å; P339-W388 HydrophobicContact CB-CE3 3.83Å; P339-W388 HydrophobicContact CB-CG 3.91Å; P339-W388 HydrophobicContact CG-CB 4.2Å; P339-W388 HydrophobicContact CG-CE3 4.25Å
340K95.9Very high94.6Very high70 Ų7032.7 Ų32.730%0.30416%0.161SC..Hα-helixtrans-64.8-31.2-180-69.2-174.5178.4177.60113.2H337 V338 E344 M345 K346 W388H337-K340 PolarHBondContact O-N 2.89Å; V338-K340 VanDerWaalsContact C-N 3.3Å; V338-K340 PolarHBondContact O-N 3.18Å; K340-E344 PolarHBondContact O-N 3.36Å; K340-M345 HydrophobicContact CB-CB 4.42Å; K340-M345 PolarHBondContact O-N 3Å; K340-K346 HydrophobicContact CB-CB 4.15Å; K340-K346 PolarHBondContact O-N 3.4Å; K340-K346 VanDerWaalsContact O-N 3.13Å; K340-W388 HydrophobicContact CD-CH2 4.47Å; K340-W388 HydrophobicContact CG-CH2 3.99Å; K340-W388 HydrophobicContact CG-CZ3 4.2Å
341Y98.1Very high95Very high1 Ų127.9 Ų27.90%0.00414%0.143CC..Hα-helixtrans-76.7-41.6173.5-64.7-72.5000111.7H337 V338 P339 L343 E344 K346 L348 D360 A363 I364 A367 H424H337-Y341 HydrophobicContact CB-CE2 4.5Å; H337-Y341 VanDerWaalsContact O-CD2 3.27Å; H337-Y341 WeakPolarHBondContact O-CD2 3.38Å; V338-Y341 PolarHBondContact O-N 3Å; P339-Y341 VanDerWaalsContact C-N 3.27Å; P339-Y341 PolarHBondContact O-N 3.38Å; Y341-L343 VanDerWaalsContact C-N 3.28Å; Y341-L343 PolarHBondContact O-N 3.19Å; Y341-E344 PolarHBondContact O-N 3.18Å; Y341-E344 VanDerWaalsContact O-N 3.13Å; Y341-K346 HydrophobicContact CD1-CB 4.08Å; Y341-K346 HydrophobicContact CD1-CD 4.36Å; Y341-K346 HydrophobicContact CD1-CG 4.22Å; Y341-K346 HydrophobicContact CE1-CB 4.07Å; Y341-K346 HydrophobicContact CE1-CD 3.59Å; Y341-K346 HydrophobicContact CE1-CG 3.7Å; Y341-K346 HydrophobicContact CE2-CD 4.2Å; Y341-K346 WeakPolarHBondContact OH-CD 3.39Å; Y341-K346 WeakPolarHBondContact OH-CE 3.35Å; Y341-K346 PolarHBondContact OH-NZ 2.96Å; Y341-L348 HydrophobicContact CD1-CD1 4.26Å; Y341-D360 VanDerWaalsContact CE2-OD1 3.28Å; Y341-D360 WeakPolarHBondContact CE2-OD1 3.34Å; Y341-D360 PolarHBondContact OH-OD1 3.12Å; Y341-A363 HydrophobicContact CD2-CB 3.84Å; Y341-A363 HydrophobicContact CE2-CB 3.82Å; Y341-I364 HydrophobicContact CD1-CG1 4.28Å; Y341-I364 HydrophobicContact CD2-CG1 4.48Å; Y341-I364 HydrophobicContact CE1-CD1 4.35Å; Y341-I364 HydrophobicContact CE1-CG1 3.67Å; Y341-I364 HydrophobicContact CE2-CG1 3.91Å; Y341-I364 VanDerWaalsContact CZ-CG1 3.44Å; Y341-A367 VanDerWaalsContact CB-CB 3.48Å; Y341-A367 HydrophobicContact CG-CB 4.44Å; Y341-H424 AromaticContact CZ-NE2 3.82Å; Y341-H424 PolarHBondContact OH-CE1 3.49Å; Y341-H424 PolarHBondContact OH-NE2 3.18Å
342L98.5Very high95.2Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-64.9-34176.7-68.2179000112.7Y293 V338 P339 E344 Y366 A367 L371 W374 L384Y293-L342 HydrophobicContact CD1-CD1 4.16Å; Y293-L342 HydrophobicContact CE1-CD1 4.46Å; V338-L342 HydrophobicContact CG1-CD1 3.54Å; V338-L342 HydrophobicContact CG1-CG 3.82Å; V338-L342 PolarHBondContact O-N 2.89Å; P339-L342 PolarHBondContact O-N 3.39Å; L342-E344 VanDerWaalsContact C-N 3.25Å; L342-Y366 HydrophobicContact CD1-CE1 4.07Å; L342-Y366 HydrophobicContact CD2-CD1 4.43Å; L342-Y366 HydrophobicContact CD2-CE1 4.13Å; L342-A367 HydrophobicContact CD2-CB 4.01Å; L342-A367 HydrophobicContact CG-CB 4.46Å; L342-L371 HydrophobicContact CD2-CB 4.31Å; L342-L371 HydrophobicContact CD2-CD1 4.48Å; L342-L371 WeakPolarHBondContact O-CD1 3.39Å; L342-W374 HydrophobicContact CD1-CD2 4.11Å; L342-W374 HydrophobicContact CD1-CG 4.3Å; L342-W374 HydrophobicContact CD1-CZ2 4.2Å; L342-W374 HydrophobicContact CD2-CG 4.28Å; L342-L384 HydrophobicContact CB-CD2 3.78Å; L342-L384 HydrophobicContact CD1-CD2 3.72Å; L342-L384 HydrophobicContact CG-CD2 4.44Å
343L97.7Very high95.5Very high23 Ų2328.3 Ų28.312%0.1215%0.145CC..THydrogen-bonded Turntrans-85.42.9176.8-63.2171.9000112.7P339 Y341 M345 I381 L384 Y385 W388P339-L343 HydrophobicContact CB-CD1 4.42Å; P339-L343 VanDerWaalsContact O-CB 3.23Å; P339-L343 WeakPolarHBondContact O-CB 3.49Å; P339-L343 WeakPolarHBondContact O-CG 3.3Å; P339-L343 PolarHBondContact O-N 2.88Å; Y341-L343 VanDerWaalsContact C-N 3.28Å; Y341-L343 PolarHBondContact O-N 3.19Å; L343-M345 HydrophobicContact CB-CE 4.13Å; L343-M345 HydrophobicContact CB-CG 3.95Å; L343-M345 HydrophobicContact CB-SD 4.16Å; L343-M345 HydrophobicContact CD1-CE 3.95Å; L343-M345 HydrophobicContact CD1-SD 4.19Å; L343-M345 PolarHBondContact O-N 3.25Å; L343-I381 HydrophobicContact CD2-CG2 4.04Å; L343-L384 HydrophobicContact CD2-CB 4.47Å; L343-L384 HydrophobicContact CD2-CD2 4.19Å; L343-L384 HydrophobicContact CD2-CG 4.29Å; L343-L384 HydrophobicContact CG-CD2 4.2Å; L343-L384 HydrophobicContact CG-CG 4.45Å; L343-Y385 HydrophobicContact CD1-CD2 4.3Å; L343-Y385 HydrophobicContact CD2-CD2 4.42Å; L343-W388 HydrophobicContact CD1-CD2 4.23Å; L343-W388 HydrophobicContact CD1-CG 4.06Å; L343-W388 VanDerWaalsContact CD1-NE1 3.29Å
344E97Very high96Very high119 Ų11927.8 Ų27.856%0.55614%0.142SC*.THydrogen-bonded Turntrans56.721.9179.9-60.3174.1116.800113.8K340 Y341 L342 K346 L371 K375K340-E344 PolarHBondContact O-N 3.36Å; Y341-E344 PolarHBondContact O-N 3.18Å; Y341-E344 VanDerWaalsContact O-N 3.13Å; L342-E344 VanDerWaalsContact C-N 3.25Å; E344-K346 VanDerWaalsContact C-N 3.27Å; E344-L371 HydrophobicContact CG-CD2 3.92Å; E344-K375 IonicContact OE1-NZ 2.72Å; E344-K375 PolarHBondContact OE1-NZ 3.06Å; E344-K375 WeakPolarHBondContact OE2-CE 3.35Å; E344-K375 IonicContact OE2-NZ 3.55Å; E344-K375 PolarHBondContact OE2-NZ 3.29Å
345M95.5Very high96.4Very high95 Ų9527.8 Ų27.847%0.46814%0.143SC..SBendtrans-78-15.9174.2-63.6177.917500112.4K340 L343 Y385 W388K340-M345 HydrophobicContact CB-CB 4.42Å; K340-M345 PolarHBondContact O-N 3Å; L343-M345 HydrophobicContact CB-CE 4.13Å; L343-M345 HydrophobicContact CB-CG 3.95Å; L343-M345 HydrophobicContact CB-SD 4.16Å; L343-M345 HydrophobicContact CD1-CE 3.95Å; L343-M345 HydrophobicContact CD1-SD 4.19Å; L343-M345 PolarHBondContact O-N 3.25Å; M345-Y385 HydrophobicContact CE-CD2 3.61Å; M345-Y385 HydrophobicContact CE-CE2 3.42Å; M345-Y385 VanDerWaalsContact CE-CE2 3.42Å; M345-W388 HydrophobicContact SD-CZ2 4Å
346K95.2Very high96.5Very high25 Ų2528.1 Ų28.111%0.10914%0.144CC..SBendtrans-128136.1175.8-169.5173.1175.9-177.60109K340 Y341 E344 L348 D360 H424 T425 S427K340-K346 HydrophobicContact CB-CB 4.15Å; K340-K346 PolarHBondContact O-N 3.4Å; K340-K346 VanDerWaalsContact O-N 3.13Å; Y341-K346 HydrophobicContact CD1-CB 4.08Å; Y341-K346 HydrophobicContact CD1-CD 4.36Å; Y341-K346 HydrophobicContact CD1-CG 4.22Å; Y341-K346 HydrophobicContact CE1-CB 4.07Å; Y341-K346 HydrophobicContact CE1-CD 3.59Å; Y341-K346 HydrophobicContact CE1-CG 3.7Å; Y341-K346 HydrophobicContact CE2-CD 4.2Å; Y341-K346 WeakPolarHBondContact OH-CD 3.39Å; Y341-K346 WeakPolarHBondContact OH-CE 3.35Å; Y341-K346 PolarHBondContact OH-NZ 2.96Å; E344-K346 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 3.17Å; K346-D360 IonicContact NZ-OD1 2.74Å; K346-D360 PolarHBondContact NZ-OD1 3.2Å; K346-D360 IonicContact NZ-OD2 2.93Å; K346-D360 PolarHBondContact NZ-OD2 3.44Å; K346-H424 PolarHBondContact NZ-CE1 2.89Å; K346-T425 WeakPolarHBondContact CE-O 3.35Å; K346-T425 PolarHBondContact NZ-O 3.02Å; K346-S427 PolarHBondContact NZ-OG 3Å
347P94.8Very high96.5Very high102 Ų10229.1 Ų29.166%0.66215%0.148SC*.  trans-61.6130.2-179.324.9-35000110.8
348L95.8Very high96.4Very high67 Ų6729.2 Ų29.235%0.35115%0.148SC..  trans-83.2135.3173.9-172.469000109.5Y341 K346 I364 A367 F368Y341-L348 HydrophobicContact CD1-CD1 4.26Å; K346-L348 PolarHBondContact O-N 3.17Å; L348-I364 HydrophobicContact CD1-CG2 4.17Å; L348-A367 HydrophobicContact CD1-CB 4.08Å; L348-F368 HydrophobicContact CD1-CB 4.26Å; L348-F368 HydrophobicContact CD2-CB 4.26Å; L348-F368 HydrophobicContact CD2-CD2 3.97Å; L348-F368 HydrophobicContact CD2-CG 4.46Å; L348-F368 HydrophobicContact CG-CD2 4.14Å
349I97.2Very high96.2Very high23 Ų2329.2 Ų29.212%0.11815%0.148CC..  trans-118.4175.9177.264.2161.3000109.8I364 F368 L420 P421 F423 H424I349-I364 HydrophobicContact CD1-CD1 4.16Å; I349-I364 HydrophobicContact CG1-CD1 3.98Å; I349-I364 HydrophobicContact CG1-CG2 3.99Å; I349-F368 WeakPolarHBondContact O-CD2 3.47Å; I349-L420 HydrophobicContact CD1-CD2 4.08Å; I349-P421 HydrophobicContact CD1-CG 3.74Å; I349-F423 HydrophobicContact CB-CE2 4.32Å; I349-F423 HydrophobicContact CD1-CE2 4.5Å; I349-F423 HydrophobicContact CG2-CD2 4.45Å; I349-F423 HydrophobicContact CG2-CE2 3.85Å; I349-H424 HydrophobicContact CD1-CB 3.96Å
350L98.2Very high96.2Very high30 Ų3029.3 Ų29.316%0.15715%0.149CC..PPolyproline II helixtrans-61.9134.3168.8-61-170.6000109.9L86 Y92 F95 P103 F368L86-L350 HydrophobicContact CD1-CB 4.25Å; L86-L350 HydrophobicContact CD1-CD1 4.28Å; L86-L350 HydrophobicContact CD1-CD2 3.93Å; L86-L350 HydrophobicContact CD1-CG 4.39Å; Y92-L350 HydrophobicContact CD1-CB 4.31Å; Y92-L350 HydrophobicContact CD1-CD1 3.84Å; Y92-L350 HydrophobicContact CE1-CB 4.14Å; Y92-L350 HydrophobicContact CE1-CD1 4.41Å; F95-L350 HydrophobicContact CB-CD1 3.56Å; F95-L350 HydrophobicContact CD1-CD1 4.34Å; F95-L350 HydrophobicContact CD2-CD1 3.96Å; F95-L350 HydrophobicContact CD2-CG 4.2Å; F95-L350 HydrophobicContact CG-CD1 3.7Å; F95-L350 HydrophobicContact CG-CG 4.38Å; P103-L350 HydrophobicContact CB-CB 4.38Å; P103-L350 HydrophobicContact CB-CD1 4.11Å; P103-L350 HydrophobicContact CG-CD1 4.43Å; L350-F368 HydrophobicContact CD2-CE2 3.76Å; L350-F368 HydrophobicContact CD2-CZ 3.89Å
351P98.3Very high96.2Very high0 Ų026 Ų260%013%0.134CC..PPolyproline II helixtrans-67.8151.217730.6-35.6000110.6L86 Y92 I364 A365 F368 F369L86-P351 HydrophobicContact CD1-CG 4.38Å; L86-P351 HydrophobicContact CD2-CG 4.35Å; L86-P351 HydrophobicContact CG-CG 4.14Å; Y92-P351 WeakPolarHBondContact CE1-O 3.29Å; Y92-P351 PolarHBondContact OH-O 3.3Å; P351-I364 HydrophobicContact CB-CG2 4.21Å; P351-A365 HydrophobicContact CB-CB 4.12Å; P351-F368 HydrophobicContact CG-CB 4.46Å; P351-F368 HydrophobicContact CG-CD1 4.3Å; P351-F368 HydrophobicContact CG-CG 4.23Å; P351-F369 HydrophobicContact CG-CE2 4.12Å
352T98.1Very high96.2Very high0 Ų026.1 Ų26.10%014%0.135CC..PPolyproline II helixtrans-75.9167.9177.745.30000111.8N82 D108 H354 L419 L420N82-T352 WeakPolarHBondContact CB-O 3.46Å; N82-T352 PolarHBondContact ND2-O 2.93Å; D108-T352 WeakPolarHBondContact OD2-CB 3.35Å; T352-H354 VanDerWaalsContact C-N 3.33Å; T352-H354 VanDerWaalsContact CB-O 3.31Å; T352-H354 WeakPolarHBondContact CB-O 3.26Å; T352-H354 PolarHBondContact OG1-O 2.95Å; T352-L419 VanDerWaalsContact CG2-O 3.24Å; T352-L419 WeakPolarHBondContact CG2-O 3.14Å; T352-L420 HydrophobicContact CG2-CD2 3.89Å
353E97.9Very high96.2Very high8 Ų826.1 Ų26.14%0.03714%0.135CC..SBendtrans-75-26175.8-63.8-172.8160.500112.8N82 R88 Y92 L104 D108 S112N82-E353 WeakPolarHBondContact CB-O 3.36Å; N82-E353 PolarHBondContact N-O 2.63Å; R88-E353 WeakPolarHBondContact CD-OE1 3.36Å; R88-E353 WeakPolarHBondContact CG-OE1 3.5Å; R88-E353 IonicContact CZ-OE1 3.27Å; R88-E353 IonicContact CZ-OE2 2.7Å; R88-E353 IonicContact NE-OE1 2.63Å; R88-E353 PolarHBondContact NE-OE1 2.92Å; R88-E353 IonicContact NE-OE2 3.45Å; R88-E353 PolarHBondContact NE-OE2 3.49Å; R88-E353 IonicContact NH2-OE1 3.68Å; R88-E353 IonicContact NH2-OE2 3.88Å; R88-E353 PolarHBondContact NH2-OE2 3.43Å; Y92-E353 HydrophobicContact CE2-CG 3.76Å; L104-E353 HydrophobicContact CD1-CG 3.99Å; L104-E353 WeakPolarHBondContact CD1-OE1 3.46Å; L104-E353 HydrophobicContact CD2-CG 4.03Å; D108-E353 PolarHBondContact OD2-N 3.39Å; S112-E353 VanDerWaalsContact CB-OE2 3.27Å; S112-E353 WeakPolarHBondContact CB-OE2 3.44Å; S112-E353 PolarHBondContact OG-OE2 3.25Å
354H98.1Very high96.2Very high5 Ų525 Ų252%0.02313%0.129CC..EExtended strand (participates in β ladder)trans-125.6153.5171.9-50.274.7000111.1V79 W80 D108 L111 S112 D115 T352 L419V79-H354 HydrophobicContact CG1-CB 3.44Å; V79-H354 VanDerWaalsContact CG1-CB 3.44Å; W80-H354 CarbonylContact O-C 3.54Å; W80-H354 VanDerWaalsContact O-CA 3.23Å; W80-H354 WeakPolarHBondContact O-CA 3.29Å; W80-H354 WeakPolarHBondContact O-CB 3.47Å; D108-H354 PolarHBondContact O-CE1 3Å; D108-H354 PolarHBondContact O-ND1 2.87Å; D108-H354 WeakPolarHBondContact OD1-CB 3.48Å; D108-H354 IonicContact OD1-CE1 3.38Å; D108-H354 IonicContact OD1-CG 2.59Å; D108-H354 PolarHBondContact OD1-N 3.45Å; D108-H354 IonicContact OD1-ND1 3.14Å; D108-H354 PolarHBondContact OD1-ND1 2.99Å; L111-H354 VanDerWaalsContact CB-CE1 3.41Å; L111-H354 WeakPolarHBondContact CB-CE1 3.33Å; L111-H354 HydrophobicContact CD1-CB 4.09Å; S112-H354 PolarHBondContact N-CE1 2.94Å; S112-H354 PolarHBondContact OG-CE1 3.45Å; D115-H354 IonicContact OD2-NE2 3.99Å; T352-H354 VanDerWaalsContact C-N 3.33Å; T352-H354 VanDerWaalsContact CB-O 3.31Å; T352-H354 WeakPolarHBondContact CB-O 3.26Å; T352-H354 PolarHBondContact OG1-O 2.95Å; H354-L419 HydrophobicContact CB-CD2 4.01Å
355I97.3Very high96.3Very high6 Ų619.5 Ų19.53%0.03110%0.104CC..EExtended strand (participates in β ladder)trans-128.1144.9-176.757.8165.1000109.6W80 N82 E362 A365W80-I355 HydrophobicContact CB-CG1 4.4Å; W80-I355 PolarHBondContact N-O 3.25Å; W80-I355 PolarHBondContact O-N 3.35Å; N82-I355 HydrophobicContact CB-CG1 4.47Å; N82-I355 HydrophobicContact CB-CG2 3.72Å; I355-E362 HydrophobicContact CB-CB 4.21Å; I355-E362 HydrophobicContact CD1-CB 4.09Å; I355-E362 HydrophobicContact CD1-CG 3.99Å; I355-A365 HydrophobicContact CG2-CB 3.83Å
356L94.7Very high96.5Very high6 Ų615 Ų153%0.0318%0.082CC..EExtended strand (participates in β ladder)trans-89.3118.8160.8179.460.9000108.1C77 R358 G359 S361 E362 T412 T415 L419C77-L356 HydrophobicContact CB-CD1 3.67Å; C77-L356 HydrophobicContact CB-CD2 4.41Å; L356-R358 PolarHBondContact O-N 2.96Å; L356-G359 PolarHBondContact O-N 3.37Å; L356-S361 PolarHBondContact N-OG 3.04Å; L356-E362 VanDerWaalsContact O-CB 3.28Å; L356-E362 WeakPolarHBondContact O-CB 3.27Å; L356-T412 HydrophobicContact CD2-CG2 3.73Å; L356-T412 WeakPolarHBondContact CD2-O 3.29Å; L356-T415 HydrophobicContact CD1-CG2 4.32Å; L356-T415 HydrophobicContact CD2-CG2 4.08Å; L356-L419 HydrophobicContact CB-CD1 4.17Å
357K91.8Very high96.6Very high25 Ų2513.9 Ų13.911%0.1098%0.077CC..THydrogen-bonded Turntrans-56.6137172.8-74.6-167.3173.6-1600109.4W80 K287 G359W80-K357 HydrophobicContact CG-CG 4.4Å; K287-K357 PolarHBondContact O-NZ 2.94Å; K357-G359 PolarHBondContact O-N 2.91Å
358R90.7Very high96.8Very high9 Ų912.3 Ų12.33%0.0346%0.06CC..THydrogen-bonded Turntrans69.42.5-177.8-50.2179.367.5-1658.8114.8E333 F334 N335 H337 L356 E362 Y406 Y408E333-R358 PolarHBondContact O-NH2 2.84Å; F334-R358 HydrophobicContact CD1-CG 4.4Å; F334-R358 HydrophobicContact CD2-CG 4.2Å; F334-R358 HydrophobicContact CE1-CG 3.97Å; F334-R358 HydrophobicContact CE2-CG 3.8Å; F334-R358 HydrophobicContact CG-CG 4.49Å; F334-R358 HydrophobicContact CZ-CG 3.66Å; F334-R358 WeakPolarHBondContact O-CB 3.33Å; F334-R358 WeakPolarHBondContact O-CG 3.41Å; F334-R358 PolarHBondContact O-NE 2.98Å; N335-R358 VanDerWaalsContact ND2-C 3.29Å; N335-R358 WeakPolarHBondContact ND2-CA 3.34Å; H337-R358 PolarHBondContact CD2-O 3.5Å; H337-R358 VanDerWaalsContact CD2-O 3.25Å; L356-R358 PolarHBondContact O-N 2.96Å; R358-E362 WeakPolarHBondContact CA-OE2 3.43Å; R358-E362 PolarHBondContact N-OE2 3.37Å; R358-Y406 PolarHBondContact NH1-O 3.37Å; R358-Y406 PolarHBondContact NH2-O 3.05Å; R358-Y408 HydrophobicContact CB-CE1 3.92Å; R358-Y408 WeakPolarHBondContact CB-OH 3.44Å; R358-Y408 VanDerWaalsContact CZ-CE2 3.48Å; R358-Y408 VanDerWaalsContact O-CE1 3.31Å; R358-Y408 WeakPolarHBondContact O-CE1 3.23Å; R358-Y408 PolarHBondContact O-OH 2.97Å
359G93Very high96.9Very high0 Ų010.7 Ų10.70%05%0.05CC..SBendtrans-93.9-178.4177.100000114.7N335 H337 L356 K357 S361 A363 D416N335-G359 PolarHBondContact ND2-O 3.43Å; H337-G359 VanDerWaalsContact CD2-C 3.49Å; L356-G359 PolarHBondContact O-N 3.37Å; K357-G359 PolarHBondContact O-N 2.91Å; G359-S361 VanDerWaalsContact C-N 3.32Å; G359-A363 WeakPolarHBondContact O-CB 3.42Å; G359-A363 PolarHBondContact O-N 3.4Å; G359-A363 VanDerWaalsContact O-N 3.13Å; G359-D416 WeakPolarHBondContact CA-OD2 3.47Å
360D95.6Very high97Very high1 Ų19.6 Ų9.61%0.0054%0.044CC..Hα-helixtrans-62.2-38.4172.2-94.2-59.9000111.9Y341 K346 A363 I364 D416 L420 L426 S427Y341-D360 VanDerWaalsContact CE2-OD1 3.28Å; Y341-D360 WeakPolarHBondContact CE2-OD1 3.34Å; Y341-D360 PolarHBondContact OH-OD1 3.12Å; K346-D360 IonicContact NZ-OD1 2.74Å; K346-D360 PolarHBondContact NZ-OD1 3.2Å; K346-D360 IonicContact NZ-OD2 2.93Å; K346-D360 PolarHBondContact NZ-OD2 3.44Å; D360-A363 WeakPolarHBondContact O-CB 3.45Å; D360-A363 PolarHBondContact O-N 2.92Å; D360-A363 VanDerWaalsContact O-N 3.12Å; D360-I364 WeakPolarHBondContact O-CD1 3.14Å; D360-I364 VanDerWaalsContact O-CG1 3.26Å; D360-I364 WeakPolarHBondContact O-CG1 3.41Å; D360-I364 PolarHBondContact O-N 3.46Å; D360-D416 PolarHBondContact N-OD2 3.46Å; D360-L420 HydrophobicContact CB-CD1 3.56Å; D360-L426 HydrophobicContact CB-CD2 4.46Å; D360-S427 WeakPolarHBondContact OD1-CB 3.05Å; D360-S427 PolarHBondContact OD1-OG 3.29Å; D360-S427 WeakPolarHBondContact OD2-CA 3.38Å; D360-S427 WeakPolarHBondContact OD2-CB 3.38Å; D360-S427 PolarHBondContact OD2-N 3.13Å; D360-S427 PolarHBondContact OD2-OG 3.49Å
361S97.6Very high97Very high0 Ų09.1 Ų9.10%04%0.041CC..Hα-helixtrans-62.3-45.4-178.151.10000111.6L356 G359 A363 I364 A365 D416L356-S361 PolarHBondContact N-OG 3.04Å; G359-S361 VanDerWaalsContact C-N 3.32Å; S361-A363 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact O-N 3.37Å; S361-I364 PolarHBondContact O-N 2.94Å; S361-A365 WeakPolarHBondContact O-CB 3.22Å; S361-A365 PolarHBondContact O-N 3.35Å; S361-D416 VanDerWaalsContact CB-OD1 3.25Å; S361-D416 WeakPolarHBondContact CB-OD1 3.23Å; S361-D416 PolarHBondContact N-OD1 2.94Å; S361-D416 PolarHBondContact OG-OD1 3.46Å
362E97.8Very high97Very high5 Ų512.2 Ų12.22%0.0237%0.067CC..Hα-helixtrans-63.2-39.6171.2-177.7-172-134.100111.4S288 A289 F334 N335 I355 L356 R358 I364 A365 Y366S288-E362 WeakPolarHBondContact CA-OE1 3.27Å; A289-E362 HydrophobicContact CB-CG 3.68Å; A289-E362 PolarHBondContact N-OE1 3.42Å; F334-E362 WeakPolarHBondContact CE1-OE2 3.28Å; N335-E362 PolarHBondContact ND2-OE2 3.16Å; I355-E362 HydrophobicContact CB-CB 4.21Å; I355-E362 HydrophobicContact CD1-CB 4.09Å; I355-E362 HydrophobicContact CD1-CG 3.99Å; L356-E362 VanDerWaalsContact O-CB 3.28Å; L356-E362 WeakPolarHBondContact O-CB 3.27Å; R358-E362 WeakPolarHBondContact CA-OE2 3.43Å; R358-E362 PolarHBondContact N-OE2 3.37Å; E362-I364 PolarHBondContact O-N 3.21Å; E362-A365 PolarHBondContact O-N 3.2Å; E362-Y366 PolarHBondContact O-N 2.8Å
363A98Very high97Very high0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-63.4-41.7-179.600000113H337 V338 Y341 G359 D360 S361 A367H337-A363 HydrophobicContact CB-CB 3.68Å; V338-A363 HydrophobicContact CB-CB 4.32Å; V338-A363 HydrophobicContact CG2-CB 3.6Å; Y341-A363 HydrophobicContact CD2-CB 3.84Å; Y341-A363 HydrophobicContact CE2-CB 3.82Å; G359-A363 WeakPolarHBondContact O-CB 3.42Å; G359-A363 PolarHBondContact O-N 3.4Å; G359-A363 VanDerWaalsContact O-N 3.13Å; D360-A363 WeakPolarHBondContact O-CB 3.45Å; D360-A363 PolarHBondContact O-N 2.92Å; D360-A363 VanDerWaalsContact O-N 3.12Å; S361-A363 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact O-N 3.37Å; A363-A367 VanDerWaalsContact O-CB 3.23Å; A363-A367 WeakPolarHBondContact O-CB 3.25Å; A363-A367 PolarHBondContact O-N 2.7Å
364I98.5Very high97Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-64.8-47.2173.4-67.1158.1000109.9Y341 L348 I349 P351 D360 S361 E362 Y366 A367 F368 L420 H424Y341-I364 HydrophobicContact CD1-CG1 4.28Å; Y341-I364 HydrophobicContact CD2-CG1 4.48Å; Y341-I364 HydrophobicContact CE1-CD1 4.35Å; Y341-I364 HydrophobicContact CE1-CG1 3.67Å; Y341-I364 HydrophobicContact CE2-CG1 3.91Å; Y341-I364 VanDerWaalsContact CZ-CG1 3.44Å; L348-I364 HydrophobicContact CD1-CG2 4.17Å; I349-I364 HydrophobicContact CD1-CD1 4.16Å; I349-I364 HydrophobicContact CG1-CD1 3.98Å; I349-I364 HydrophobicContact CG1-CG2 3.99Å; P351-I364 HydrophobicContact CB-CG2 4.21Å; D360-I364 WeakPolarHBondContact O-CD1 3.14Å; D360-I364 VanDerWaalsContact O-CG1 3.26Å; D360-I364 WeakPolarHBondContact O-CG1 3.41Å; D360-I364 PolarHBondContact O-N 3.46Å; S361-I364 PolarHBondContact O-N 2.94Å; E362-I364 PolarHBondContact O-N 3.21Å; I364-Y366 VanDerWaalsContact C-N 3.31Å; I364-Y366 PolarHBondContact O-N 3.5Å; I364-A367 PolarHBondContact O-N 3.1Å; I364-F368 WeakPolarHBondContact O-CB 3.4Å; I364-F368 PolarHBondContact O-N 3.14Å; I364-L420 HydrophobicContact CD1-CD1 4.16Å; I364-L420 HydrophobicContact CD1-CD2 3.5Å; I364-H424 WeakPolarHBondContact CD1-NE2 3.36Å
365A98.4Very high97Very high2 Ų217.7 Ų17.72%0.0179%0.091CC..Hα-helixtrans-57-44.3178.500000112.2P351 I355 S361 E362 F369P351-A365 HydrophobicContact CB-CB 4.12Å; I355-A365 HydrophobicContact CG2-CB 3.83Å; S361-A365 WeakPolarHBondContact O-CB 3.22Å; S361-A365 PolarHBondContact O-N 3.35Å; E362-A365 PolarHBondContact O-N 3.2Å; A365-F369 WeakPolarHBondContact O-CD2 3.44Å
366Y98.7Very high97Very high2 Ų220.6 Ų20.61%0.00812%0.116CC..Hα-helixtrans-65.6-57.3174.8179-98.1000111.6A289 Y293 V338 L342 E362 I364 F368 F369 H370 W374A289-Y366 HydrophobicContact CB-CD2 4.4Å; A289-Y366 HydrophobicContact CB-CG 4.16Å; Y293-Y366 VanDerWaalsContact CB-CE1 3.46Å; Y293-Y366 VanDerWaalsContact CB-OH 3.25Å; Y293-Y366 WeakPolarHBondContact CB-OH 3.43Å; Y293-Y366 HydrophobicContact CD1-CE1 4.46Å; Y293-Y366 HydrophobicContact CG-CD1 4.48Å; Y293-Y366 AromaticContact CG-CE1 3.97Å; Y293-Y366 HydrophobicContact CG-CE1 3.97Å; V338-Y366 HydrophobicContact CG1-CD1 3.64Å; V338-Y366 HydrophobicContact CG1-CE1 4.02Å; V338-Y366 HydrophobicContact CG2-CD1 4.49Å; L342-Y366 HydrophobicContact CD1-CE1 4.07Å; L342-Y366 HydrophobicContact CD2-CD1 4.43Å; L342-Y366 HydrophobicContact CD2-CE1 4.13Å; E362-Y366 PolarHBondContact O-N 2.8Å; I364-Y366 VanDerWaalsContact C-N 3.31Å; I364-Y366 PolarHBondContact O-N 3.5Å; Y366-F368 VanDerWaalsContact C-N 3.29Å; Y366-F368 PolarHBondContact O-N 3.31Å; Y366-F369 PolarHBondContact O-N 3Å; Y366-F369 VanDerWaalsContact O-N 3.16Å; Y366-H370 HydrophobicContact CD1-CB 4.24Å; Y366-H370 HydrophobicContact CD2-CB 4.23Å; Y366-H370 AromaticContact CD2-CE1 3.84Å; Y366-H370 AromaticContact CD2-CG 3.7Å; Y366-H370 AromaticContact CD2-ND1 3.51Å; Y366-H370 HydrophobicContact CE1-CB 3.76Å; Y366-H370 HydrophobicContact CE2-CB 3.76Å; Y366-H370 AromaticContact CE2-CD2 3.41Å; Y366-H370 VanDerWaalsContact CE2-CD2 3.41Å; Y366-H370 WeakPolarHBondContact CE2-CD2 3.43Å; Y366-H370 AromaticContact CE2-CE1 3.89Å; Y366-H370 AromaticContact CE2-CG 3.3Å; Y366-H370 AromaticContact CE2-ND1 3.61Å; Y366-H370 AromaticContact CE2-NE2 3.79Å; Y366-H370 HydrophobicContact CG-CB 4.46Å; Y366-H370 VanDerWaalsContact CZ-CB 3.5Å; Y366-H370 AromaticContact CZ-CD2 3.86Å; Y366-H370 AromaticContact CZ-CG 3.6Å; Y366-H370 WeakPolarHBondContact O-CB 3.33Å; Y366-H370 PolarHBondContact O-N 3.13Å; Y366-H370 PolarHBondContact O-ND1 2.81Å; Y366-W374 AromaticContact CE1-NE1 3.78Å; Y366-W374 AromaticContact CZ-NE1 3.82Å; Y366-W374 PolarHBondContact OH-NE1 2.9Å
367A98.7Very high97.1Very high0 Ų020.9 Ų20.90%012%0.118CC..Hα-helixtrans-60.9-36.9-173.500000112.5Y341 L342 L348 A363 I364 F369 H370 L371Y341-A367 VanDerWaalsContact CB-CB 3.48Å; Y341-A367 HydrophobicContact CG-CB 4.44Å; L342-A367 HydrophobicContact CD2-CB 4.01Å; L342-A367 HydrophobicContact CG-CB 4.46Å; L348-A367 HydrophobicContact CD1-CB 4.08Å; A363-A367 VanDerWaalsContact O-CB 3.23Å; A363-A367 WeakPolarHBondContact O-CB 3.25Å; A363-A367 PolarHBondContact O-N 2.7Å; I364-A367 PolarHBondContact O-N 3.1Å; A367-F369 VanDerWaalsContact C-N 3.27Å; A367-F369 PolarHBondContact O-N 3.31Å; A367-H370 PolarHBondContact O-N 3.47Å; A367-L371 WeakPolarHBondContact O-CB 3.46Å; A367-L371 PolarHBondContact O-N 3.37Å
368F98.4Very high97.3Very high70 Ų7026.5 Ų26.531%0.30715%0.145SC..Hα-helixtrans-57.9-38.9178.6-171.5-84.5000112.9L86 L348 I349 L350 P351 I364 Y366L86-F368 HydrophobicContact CD2-CE1 4.37Å; L348-F368 HydrophobicContact CD1-CB 4.26Å; L348-F368 HydrophobicContact CD2-CB 4.26Å; L348-F368 HydrophobicContact CD2-CD2 3.97Å; L348-F368 HydrophobicContact CD2-CG 4.46Å; L348-F368 HydrophobicContact CG-CD2 4.14Å; I349-F368 WeakPolarHBondContact O-CD2 3.47Å; L350-F368 HydrophobicContact CD2-CE2 3.76Å; L350-F368 HydrophobicContact CD2-CZ 3.89Å; P351-F368 HydrophobicContact CG-CB 4.46Å; P351-F368 HydrophobicContact CG-CD1 4.3Å; P351-F368 HydrophobicContact CG-CG 4.23Å; I364-F368 WeakPolarHBondContact O-CB 3.4Å; I364-F368 PolarHBondContact O-N 3.14Å; Y366-F368 VanDerWaalsContact C-N 3.29Å; Y366-F368 PolarHBondContact O-N 3.31Å
369F97.9Very high97.6Very high33 Ų3327.3 Ų27.315%0.14516%0.156CC..Hα-helixtrans-95.3-21.6-179.5-75-91.4000113.8Y84 L86 E262 P351 A365 Y366 A367 H373Y84-F369 HydrophobicContact CD1-CB 4.29Å; Y84-F369 HydrophobicContact CD1-CD1 4.12Å; Y84-F369 HydrophobicContact CD1-CD2 4.01Å; Y84-F369 HydrophobicContact CD1-CE1 4.47Å; Y84-F369 HydrophobicContact CD1-CE2 4.41Å; Y84-F369 AromaticContact CD1-CG 3.87Å; Y84-F369 HydrophobicContact CD1-CG 3.87Å; Y84-F369 HydrophobicContact CE1-CB 4.5Å; Y84-F369 AromaticContact CG-CD2 3.86Å; Y84-F369 HydrophobicContact CG-CD2 3.86Å; Y84-F369 HydrophobicContact CG-CE2 4.18Å; Y84-F369 HydrophobicContact CG-CG 4.18Å; Y84-F369 WeakPolarHBondContact O-CE2 3.32Å; L86-F369 HydrophobicContact CD2-CE2 4.05Å; L86-F369 HydrophobicContact CD2-CZ 3.6Å; E262-F369 HydrophobicContact CG-CB 4.22Å; P351-F369 HydrophobicContact CG-CE2 4.12Å; A365-F369 WeakPolarHBondContact O-CD2 3.44Å; Y366-F369 PolarHBondContact O-N 3Å; Y366-F369 VanDerWaalsContact O-N 3.16Å; A367-F369 VanDerWaalsContact C-N 3.27Å; A367-F369 PolarHBondContact O-N 3.31Å; F369-H373 PolarHBondContact O-CD2 3.06Å; F369-H373 PolarHBondContact O-NE2 3.07Å
370H98.7Very high97.8Very high0 Ų027.3 Ų27.30%016%0.156CC..Hα-helixtrans-110.7-14.7-170.4-62.873.9000114.9Y84 Y366 A367 A372 H373 W374Y84-H370 AromaticContact CZ-CE1 3.61Å; Y84-H370 PolarHBondContact OH-CE1 3.04Å; Y84-H370 VanDerWaalsContact OH-CE1 3.26Å; Y366-H370 HydrophobicContact CD1-CB 4.24Å; Y366-H370 HydrophobicContact CD2-CB 4.23Å; Y366-H370 AromaticContact CD2-CE1 3.84Å; Y366-H370 AromaticContact CD2-CG 3.7Å; Y366-H370 AromaticContact CD2-ND1 3.51Å; Y366-H370 HydrophobicContact CE1-CB 3.76Å; Y366-H370 HydrophobicContact CE2-CB 3.76Å; Y366-H370 AromaticContact CE2-CD2 3.41Å; Y366-H370 VanDerWaalsContact CE2-CD2 3.41Å; Y366-H370 WeakPolarHBondContact CE2-CD2 3.43Å; Y366-H370 AromaticContact CE2-CE1 3.89Å; Y366-H370 AromaticContact CE2-CG 3.3Å; Y366-H370 AromaticContact CE2-ND1 3.61Å; Y366-H370 AromaticContact CE2-NE2 3.79Å; Y366-H370 HydrophobicContact CG-CB 4.46Å; Y366-H370 VanDerWaalsContact CZ-CB 3.5Å; Y366-H370 AromaticContact CZ-CD2 3.86Å; Y366-H370 AromaticContact CZ-CG 3.6Å; Y366-H370 WeakPolarHBondContact O-CB 3.33Å; Y366-H370 PolarHBondContact O-N 3.13Å; Y366-H370 PolarHBondContact O-ND1 2.81Å; A367-H370 PolarHBondContact O-N 3.47Å; H370-A372 PolarHBondContact O-N 3.06Å; H370-H373 AromaticContact CD2-CD2 3.99Å; H370-H373 WeakPolarHBondContact O-CA 3.45Å; H370-H373 WeakPolarHBondContact O-CB 3.41Å; H370-H373 PolarHBondContact O-N 2.71Å; H370-W374 PolarHBondContact O-N 3.1Å
371L98.6Very high97.8Very high19 Ų1929.5 Ų29.510%0.09917%0.167CC..Hα-helixtrans-54-42.1177.3174.655.1000112L342 E344 A367 H373 W374 K375 I381L342-L371 HydrophobicContact CD2-CB 4.31Å; L342-L371 HydrophobicContact CD2-CD1 4.48Å; L342-L371 WeakPolarHBondContact O-CD1 3.39Å; E344-L371 HydrophobicContact CG-CD2 3.92Å; A367-L371 WeakPolarHBondContact O-CB 3.46Å; A367-L371 PolarHBondContact O-N 3.37Å; L371-H373 VanDerWaalsContact C-N 3.27Å; L371-H373 PolarHBondContact O-N 3.44Å; L371-W374 PolarHBondContact O-N 3.48Å; L371-K375 HydrophobicContact CD1-CD 4.27Å; L371-K375 HydrophobicContact CD1-CG 4.2Å; L371-K375 HydrophobicContact CG-CD 4.35Å; L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.44Å; L371-I381 HydrophobicContact CD1-CD1 4.25Å
372A98.2Very high97.7Very high66 Ų6633.1 Ų33.155%0.54519%0.187SC..Hα-helixtrans-60.5-36.7176.300000112.5H370 K375 A376H370-A372 PolarHBondContact O-N 3.06Å; A372-K375 PolarHBondContact O-N 3.24Å; A372-A376 WeakPolarHBondContact O-CB 3.49Å; A372-A376 PolarHBondContact O-N 3.45Å
373H98.6Very high97.6Very high19 Ų1933 Ų339%0.08819%0.186CC..Hα-helixtrans-70.5-38.7177.6-56.7-40.7000111.8E262 L265 L297 F369 H370 L371 K375 A376 V377E262-H373 IonicContact OE1-CD2 3.89Å; E262-H373 IonicContact OE1-CE1 3.82Å; E262-H373 PolarHBondContact OE1-CE1 3.03Å; E262-H373 IonicContact OE1-NE2 3.62Å; E262-H373 PolarHBondContact OE1-NE2 3.37Å; L265-H373 HydrophobicContact CB-CB 4.42Å; L265-H373 HydrophobicContact CD1-CB 4.18Å; L297-H373 HydrophobicContact CD2-CB 3.91Å; F369-H373 PolarHBondContact O-CD2 3.06Å; F369-H373 PolarHBondContact O-NE2 3.07Å; H370-H373 AromaticContact CD2-CD2 3.99Å; H370-H373 WeakPolarHBondContact O-CA 3.45Å; H370-H373 WeakPolarHBondContact O-CB 3.41Å; H370-H373 PolarHBondContact O-N 2.71Å; L371-H373 VanDerWaalsContact C-N 3.27Å; L371-H373 PolarHBondContact O-N 3.44Å; H373-K375 VanDerWaalsContact C-N 3.34Å; H373-A376 PolarHBondContact O-N 3.4Å; H373-V377 PolarHBondContact O-N 2.8Å
374W98.6Very high97.5Very high0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-64.1-38.9172.5-8084.6000112.2Y293 A296 L297 L342 Y366 H370 L371 V377 A380 I381 L384Y293-W374 HydrophobicContact CD1-CZ2 4.01Å; Y293-W374 WeakPolarHBondContact O-CZ2 3.43Å; A296-W374 HydrophobicContact CB-CH2 4.43Å; L297-W374 HydrophobicContact CB-CD2 4.4Å; L297-W374 HydrophobicContact CB-CH2 4.32Å; L297-W374 HydrophobicContact CB-CZ2 3.84Å; L297-W374 HydrophobicContact CD1-CD2 3.81Å; L297-W374 HydrophobicContact CD1-CE3 3.96Å; L297-W374 HydrophobicContact CD1-CG 4.07Å; L297-W374 HydrophobicContact CD1-CZ3 4.43Å; L297-W374 HydrophobicContact CD2-CG 4.34Å; L297-W374 HydrophobicContact CG-CD2 4.48Å; L342-W374 HydrophobicContact CD1-CD2 4.11Å; L342-W374 HydrophobicContact CD1-CG 4.3Å; L342-W374 HydrophobicContact CD1-CZ2 4.2Å; L342-W374 HydrophobicContact CD2-CG 4.28Å; Y366-W374 AromaticContact CE1-NE1 3.78Å; Y366-W374 AromaticContact CZ-NE1 3.82Å; Y366-W374 PolarHBondContact OH-NE1 2.9Å; H370-W374 PolarHBondContact O-N 3.1Å; L371-W374 PolarHBondContact O-N 3.48Å; W374-V377 PolarHBondContact O-N 3.5Å; W374-A380 HydrophobicContact CE3-CB 3.98Å; W374-A380 HydrophobicContact CZ3-CB 4.36Å; W374-I381 HydrophobicContact CB-CD1 3.62Å; W374-I381 HydrophobicContact CB-CG1 4.3Å; W374-I381 HydrophobicContact CG-CD1 4.48Å; W374-L384 HydrophobicContact CE3-CB 4.45Å; W374-L384 HydrophobicContact CE3-CD2 4.31Å; W374-L384 HydrophobicContact CH2-CD1 4.47Å; W374-L384 HydrophobicContact CZ3-CB 3.95Å; W374-L384 HydrophobicContact CZ3-CD2 4.2Å; W374-L384 HydrophobicContact CZ3-CG 4.46Å
375K98Very high97.3Very high108 Ų10839.1 Ų39.147%0.4721%0.21SC..Hα-helixtrans-70.6-30.6175.4-72.8-178.3174.8-178.20113.2E344 L371 A372 H373 V377 I381E344-K375 IonicContact OE1-NZ 2.72Å; E344-K375 PolarHBondContact OE1-NZ 3.06Å; E344-K375 WeakPolarHBondContact OE2-CE 3.35Å; E344-K375 IonicContact OE2-NZ 3.55Å; E344-K375 PolarHBondContact OE2-NZ 3.29Å; L371-K375 HydrophobicContact CD1-CD 4.27Å; L371-K375 HydrophobicContact CD1-CG 4.2Å; L371-K375 HydrophobicContact CG-CD 4.35Å; L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.44Å; A372-K375 PolarHBondContact O-N 3.24Å; H373-K375 VanDerWaalsContact C-N 3.34Å; K375-V377 PolarHBondContact O-N 2.91Å; K375-I381 HydrophobicContact CG-CG1 4.21Å
376A97.5Very high96.9Very high68 Ų6841.6 Ų41.656%0.56223%0.227SC*.Hα-helixtrans-70.9-20.6178.400000113.2A372 H373A372-A376 WeakPolarHBondContact O-CB 3.49Å; A372-A376 PolarHBondContact O-N 3.45Å; H373-A376 PolarHBondContact O-N 3.4Å
377V96.9Very high96.5Very high12 Ų1242.1 Ų42.17%0.07323%0.23CC..SBendtrans-93.6109.2173.7177.90000109.1L297 R301 H373 W374 K375 G379 A380L297-V377 HydrophobicContact CD1-CB 4.08Å; L297-V377 HydrophobicContact CD1-CG2 3.87Å; R301-V377 VanDerWaalsContact CA-CG1 3.46Å; R301-V377 HydrophobicContact CB-CG1 3.63Å; R301-V377 HydrophobicContact CB-CG2 4.17Å; R301-V377 HydrophobicContact CG-CG1 3.85Å; R301-V377 HydrophobicContact CG-CG2 4.12Å; H373-V377 PolarHBondContact O-N 2.8Å; W374-V377 PolarHBondContact O-N 3.5Å; K375-V377 PolarHBondContact O-N 2.91Å; V377-G379 PolarHBondContact O-N 3.38Å; V377-A380 HydrophobicContact CB-CB 3.79Å; V377-A380 HydrophobicContact CG1-CB 3.66Å; V377-A380 WeakPolarHBondContact O-CB 3.4Å; V377-A380 PolarHBondContact O-N 3.12Å; V377-A380 VanDerWaalsContact O-N 3.08Å
378E95.6Very high96Very high142 Ų14242.7 Ų42.766%0.66423%0.233SC*.THydrogen-bonded Turntrans-56.1126.9-178.7-173.4169.3-174.900111.8S304 A380S304-E378 VanDerWaalsContact CB-O 3.3Å; S304-E378 WeakPolarHBondContact CB-O 3.4Å; S304-E378 PolarHBondContact OG-O 2.88Å; E378-A380 VanDerWaalsContact C-N 3.27Å; E378-A380 PolarHBondContact O-N 2.86Å
379G95.6Very high95.2Very high27 Ų2743.2 Ų43.228%0.27824%0.236SC..THydrogen-bonded Turntrans79.1-9.5-179.400000115.8S304 V377 I381 N382 L383S304-G379 VanDerWaalsContact CB-C 3.45Å; V377-G379 PolarHBondContact O-N 3.38Å; G379-I381 PolarHBondContact O-N 3.17Å; G379-N382 WeakPolarHBondContact O-CB 2.96Å; G379-N382 PolarHBondContact O-N 3.16Å; G379-N382 VanDerWaalsContact O-N 3.14Å; G379-L383 PolarHBondContact O-N 3.39Å
380A97.4Very high94.3Very high0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-64.4-40-176.800000113L297 A300 W374 V377 E378 N382 L383 L384L297-A380 HydrophobicContact CD1-CB 4.04Å; A300-A380 HydrophobicContact CB-CB 4.38Å; W374-A380 HydrophobicContact CE3-CB 3.98Å; W374-A380 HydrophobicContact CZ3-CB 4.36Å; V377-A380 HydrophobicContact CB-CB 3.79Å; V377-A380 HydrophobicContact CG1-CB 3.66Å; V377-A380 WeakPolarHBondContact O-CB 3.4Å; V377-A380 PolarHBondContact O-N 3.12Å; V377-A380 VanDerWaalsContact O-N 3.08Å; E378-A380 VanDerWaalsContact C-N 3.27Å; E378-A380 PolarHBondContact O-N 2.86Å; A380-N382 VanDerWaalsContact C-N 3.32Å; A380-N382 PolarHBondContact O-N 2.91Å; A380-L383 PolarHBondContact O-N 3.38Å; A380-L384 WeakPolarHBondContact O-CB 3.4Å; A380-L384 PolarHBondContact O-N 3.14Å
381I97.1Very high93.3Very high46 Ų4643.7 Ų43.724%0.23625%0.249CC..Hα-helixtrans-61.9-40.8173.3-67-67.2000111.1L343 L371 W374 K375 G379 L384 Y385L343-I381 HydrophobicContact CD2-CG2 4.04Å; L371-I381 HydrophobicContact CD1-CD1 4.25Å; W374-I381 HydrophobicContact CB-CD1 3.62Å; W374-I381 HydrophobicContact CB-CG1 4.3Å; W374-I381 HydrophobicContact CG-CD1 4.48Å; K375-I381 HydrophobicContact CG-CG1 4.21Å; G379-I381 PolarHBondContact O-N 3.17Å; I381-L384 PolarHBondContact O-N 2.59Å; I381-Y385 WeakPolarHBondContact O-CB 3.45Å; I381-Y385 PolarHBondContact O-N 3.12Å
382N94.6Very high92.1Very high77 Ų7745.7 Ų45.741%0.41226%0.257SS..Hα-helixtrans-67-42.9178.1-174.551.7000111.6G379 A380 L384 Y385 C386G379-N382 WeakPolarHBondContact O-CB 2.96Å; G379-N382 PolarHBondContact O-N 3.16Å; G379-N382 VanDerWaalsContact O-N 3.14Å; A380-N382 VanDerWaalsContact C-N 3.32Å; A380-N382 PolarHBondContact O-N 2.91Å; N382-L384 VanDerWaalsContact C-N 3.35Å; N382-L384 PolarHBondContact O-N 3.47Å; N382-Y385 WeakPolarHBondContact O-CB 3.44Å; N382-Y385 PolarHBondContact O-N 3.37Å; N382-C386 PolarHBondContact O-N 3.04Å; N382-C386 PolarHBondContact O-SG 2.93Å
383L95.4Very high91Very high1 Ų151.5 Ų51.51%0.00527%0.265CS..Hα-helixtrans-59.9-44.8174.2176.561.7000111.4A300 V303 F307 A324 V325 I328 G379 A380 C386 T387A300-L383 HydrophobicContact CB-CD2 3.73Å; V303-L383 HydrophobicContact CG2-CD2 4.05Å; F307-L383 HydrophobicContact CD1-CB 4.34Å; F307-L383 HydrophobicContact CD1-CD1 3.58Å; F307-L383 HydrophobicContact CD2-CD1 3.82Å; F307-L383 HydrophobicContact CE1-CD1 3.48Å; F307-L383 VanDerWaalsContact CE1-CD1 3.48Å; F307-L383 HydrophobicContact CE2-CD1 3.73Å; F307-L383 HydrophobicContact CG-CD1 3.74Å; F307-L383 HydrophobicContact CZ-CD1 3.56Å; A324-L383 HydrophobicContact CB-CD2 4.45Å; V325-L383 HydrophobicContact CG2-CD1 4.49Å; I328-L383 HydrophobicContact CD1-CD2 4.09Å; I328-L383 HydrophobicContact CD1-CG 3.84Å; G379-L383 PolarHBondContact O-N 3.39Å; A380-L383 PolarHBondContact O-N 3.38Å; L383-C386 PolarHBondContact O-N 3.38Å; L383-T387 HydrophobicContact CD1-CG2 3.99Å; L383-T387 WeakPolarHBondContact O-CB 3.32Å; L383-T387 VanDerWaalsContact O-CG2 3.29Å; L383-T387 WeakPolarHBondContact O-CG2 3.47Å; L383-T387 PolarHBondContact O-N 2.62Å; L383-T387 PolarHBondContact O-OG1 3.24Å
384L96.4Very high89.7Confident0 Ų056.7 Ų56.70%029%0.292CS..Hα-helixtrans-59-48.7174.2-179.363.9000111I328 P339 L342 L343 W374 A380 I381 N382 C386 T387 W388I328-L384 HydrophobicContact CG2-CD1 3.93Å; P339-L384 HydrophobicContact CB-CD1 4.43Å; L342-L384 HydrophobicContact CB-CD2 3.78Å; L342-L384 HydrophobicContact CD1-CD2 3.72Å; L342-L384 HydrophobicContact CG-CD2 4.44Å; L343-L384 HydrophobicContact CD2-CB 4.47Å; L343-L384 HydrophobicContact CD2-CD2 4.19Å; L343-L384 HydrophobicContact CD2-CG 4.29Å; L343-L384 HydrophobicContact CG-CD2 4.2Å; L343-L384 HydrophobicContact CG-CG 4.45Å; W374-L384 HydrophobicContact CE3-CB 4.45Å; W374-L384 HydrophobicContact CE3-CD2 4.31Å; W374-L384 HydrophobicContact CH2-CD1 4.47Å; W374-L384 HydrophobicContact CZ3-CB 3.95Å; W374-L384 HydrophobicContact CZ3-CD2 4.2Å; W374-L384 HydrophobicContact CZ3-CG 4.46Å; A380-L384 WeakPolarHBondContact O-CB 3.4Å; A380-L384 PolarHBondContact O-N 3.14Å; I381-L384 PolarHBondContact O-N 2.59Å; N382-L384 VanDerWaalsContact C-N 3.35Å; N382-L384 PolarHBondContact O-N 3.47Å; L384-C386 VanDerWaalsContact C-N 3.3Å; L384-C386 PolarHBondContact O-N 3.16Å; L384-T387 PolarHBondContact O-N 3.44Å; L384-T387 VanDerWaalsContact O-N 3.16Å; L384-T387 PolarHBondContact O-OG1 3.02Å; L384-W388 HydrophobicContact CD1-CB 4.15Å; L384-W388 WeakPolarHBondContact O-CB 3.29Å; L384-W388 PolarHBondContact O-N 3.4Å
385Y94.1Very high88.3Confident130 Ų13057.9 Ų57.951%0.5130%0.299SS..Hα-helixtrans-56.3-42.7179.1178.5-102.5000112.5L343 M345 I381 N382 T387 W388L343-Y385 HydrophobicContact CD1-CD2 4.3Å; L343-Y385 HydrophobicContact CD2-CD2 4.42Å; M345-Y385 HydrophobicContact CE-CD2 3.61Å; M345-Y385 HydrophobicContact CE-CE2 3.42Å; M345-Y385 VanDerWaalsContact CE-CE2 3.42Å; I381-Y385 WeakPolarHBondContact O-CB 3.45Å; I381-Y385 PolarHBondContact O-N 3.12Å; N382-Y385 WeakPolarHBondContact O-CB 3.44Å; N382-Y385 PolarHBondContact O-N 3.37Å; Y385-T387 VanDerWaalsContact C-N 3.29Å; Y385-T387 PolarHBondContact O-N 3.34Å; Y385-W388 VanDerWaalsContact O-CD1 3.23Å
386C90.9Very high86.6Confident53 Ų5354.9 Ų54.936%0.35829%0.29SS..Hα-helixtrans-73.4-18.2-178.2-63.40000113.9F307 P309 N382 L383 L384F307-C386 HydrophobicContact CE1-CB 4.24Å; P309-C386 HydrophobicContact CG-CB 4.24Å; P309-C386 WeakPolarHBondContact CG-SG 3.11Å; N382-C386 PolarHBondContact O-N 3.04Å; N382-C386 PolarHBondContact O-SG 2.93Å; L383-C386 PolarHBondContact O-N 3.38Å; L384-C386 VanDerWaalsContact C-N 3.3Å; L384-C386 PolarHBondContact O-N 3.16Å
387T89.8Confident84.6Confident14 Ų1459.7 Ų59.79%0.08630%0.295CS..Hα-helixtrans-113.3-36.4-168.652.40000113.2V325 L383 L384 Y385 E389 G390 T391V325-T387 HydrophobicContact CG1-CG2 4.35Å; V325-T387 HydrophobicContact CG2-CG2 3.97Å; L383-T387 HydrophobicContact CD1-CG2 3.99Å; L383-T387 WeakPolarHBondContact O-CB 3.32Å; L383-T387 VanDerWaalsContact O-CG2 3.29Å; L383-T387 WeakPolarHBondContact O-CG2 3.47Å; L383-T387 PolarHBondContact O-N 2.62Å; L383-T387 PolarHBondContact O-OG1 3.24Å; L384-T387 PolarHBondContact O-N 3.44Å; L384-T387 VanDerWaalsContact O-N 3.16Å; L384-T387 PolarHBondContact O-OG1 3.02Å; Y385-T387 VanDerWaalsContact C-N 3.29Å; Y385-T387 PolarHBondContact O-N 3.34Å; T387-E389 PolarHBondContact O-N 2.87Å; T387-G390 PolarHBondContact O-N 3.44Å; T387-T391 PolarHBondContact O-N 3.37Å; T387-T391 PolarHBondContact O-OG1 2.9Å; T387-T391 VanDerWaalsContact O-OG1 3.06Å
388W86.8Confident82.6Confident12 Ų1261.4 Ų61.45%0.04531%0.307CS..Hα-helixtrans-62.2-38.2-168.280.7-74.9000114V332 P339 K340 L343 M345 L384 Y385 T391 F392V332-W388 HydrophobicContact CG2-CB 4.29Å; P339-W388 HydrophobicContact CB-CB 3.94Å; P339-W388 HydrophobicContact CB-CD2 3.85Å; P339-W388 HydrophobicContact CB-CE3 3.83Å; P339-W388 HydrophobicContact CB-CG 3.91Å; P339-W388 HydrophobicContact CG-CB 4.2Å; P339-W388 HydrophobicContact CG-CE3 4.25Å; K340-W388 HydrophobicContact CD-CH2 4.47Å; K340-W388 HydrophobicContact CG-CH2 3.99Å; K340-W388 HydrophobicContact CG-CZ3 4.2Å; L343-W388 HydrophobicContact CD1-CD2 4.23Å; L343-W388 HydrophobicContact CD1-CG 4.06Å; L343-W388 VanDerWaalsContact CD1-NE1 3.29Å; M345-W388 HydrophobicContact SD-CZ2 4Å; L384-W388 HydrophobicContact CD1-CB 4.15Å; L384-W388 WeakPolarHBondContact O-CB 3.29Å; L384-W388 PolarHBondContact O-N 3.4Å; Y385-W388 VanDerWaalsContact O-CD1 3.23Å; W388-T391 WeakPolarHBondContact O-CB 3.22Å; W388-T391 PolarHBondContact O-N 2.98Å; W388-F392 VanDerWaalsContact O-CB 3.26Å; W388-F392 WeakPolarHBondContact O-CB 3.49Å; W388-F392 PolarHBondContact O-N 3.5Å
389E83.6Confident80.8Confident81 Ų8155.6 Ų55.638%0.37928%0.28SS..Hα-helixtrans-67.4-40.9178.9-71.3-161.4172.500112T387 T391 F392 R393T387-E389 PolarHBondContact O-N 2.87Å; E389-T391 VanDerWaalsContact C-N 3.33Å; E389-F392 PolarHBondContact O-N 3.4Å; E389-R393 WeakPolarHBondContact O-CG 3.49Å; E389-R393 PolarHBondContact O-N 3.09Å; E389-R393 VanDerWaalsContact O-N 3.07Å; E389-R393 IonicContact OE2-NH2 3.12Å; E389-R393 PolarHBondContact OE2-NH2 2.99Å; E389-R393 VanDerWaalsContact OE2-NH2 3.12Å
390G79Confident78.7Confident38 Ų3859.8 Ų59.839%0.39229%0.292SS..Hα-helixtrans-61.1-46.4175.800000110.3T387 F392 R393 L394T387-G390 PolarHBondContact O-N 3.44Å; G390-F392 VanDerWaalsContact C-N 3.35Å; G390-F392 PolarHBondContact O-N 3.43Å; G390-R393 PolarHBondContact O-N 2.89Å; G390-L394 VanDerWaalsContact O-CG 3.32Å; G390-L394 WeakPolarHBondContact O-CG 3.38Å; G390-L394 PolarHBondContact O-N 3.27Å
391T76.5Confident76.4Confident5 Ų566.3 Ų66.33%0.03132%0.321CS..Hα-helixtrans-57.1-49.3173-44.20000111.9H329 V332 T387 W388 E389 R393 L394 I395H329-T391 VanDerWaalsContact CA-CG2 3.45Å; H329-T391 HydrophobicContact CB-CG2 3.79Å; H329-T391 PolarHBondContact CD2-OG1 2.97Å; H329-T391 PolarHBondContact NE2-OG1 3.3Å; V332-T391 HydrophobicContact CB-CG2 3.89Å; V332-T391 HydrophobicContact CG1-CG2 3.97Å; T387-T391 PolarHBondContact O-N 3.37Å; T387-T391 PolarHBondContact O-OG1 2.9Å; T387-T391 VanDerWaalsContact O-OG1 3.06Å; W388-T391 WeakPolarHBondContact O-CB 3.22Å; W388-T391 PolarHBondContact O-N 2.98Å; E389-T391 VanDerWaalsContact C-N 3.33Å; T391-R393 PolarHBondContact O-N 3.29Å; T391-L394 WeakPolarHBondContact O-CB 3.45Å; T391-L394 PolarHBondContact O-N 3.14Å; T391-I395 PolarHBondContact O-N 2.97Å
392F73.8Confident74.3Confident60 Ų6065.5 Ų65.526%0.26332%0.324SS..Hα-helixtrans-58.7-35.2-175.6-175.4-85.8000111.9P336 W388 E389 G390 Y429P336-F392 HydrophobicContact CB-CD2 3.85Å; P336-F392 HydrophobicContact CB-CE2 3.94Å; W388-F392 VanDerWaalsContact O-CB 3.26Å; W388-F392 WeakPolarHBondContact O-CB 3.49Å; W388-F392 PolarHBondContact O-N 3.5Å; E389-F392 PolarHBondContact O-N 3.4Å; G390-F392 VanDerWaalsContact C-N 3.35Å; G390-F392 PolarHBondContact O-N 3.43Å; F392-Y429 HydrophobicContact CD2-CD2 4.31Å; F392-Y429 AromaticContact CD2-CE2 3.92Å; F392-Y429 HydrophobicContact CD2-CE2 3.92Å; F392-Y429 HydrophobicContact CE1-CD2 4.33Å; F392-Y429 HydrophobicContact CE1-CE2 4.04Å; F392-Y429 AromaticContact CE2-CD2 3.23Å; F392-Y429 HydrophobicContact CE2-CD2 3.23Å; F392-Y429 AromaticContact CE2-CE2 3.22Å; F392-Y429 HydrophobicContact CE2-CE2 3.22Å; F392-Y429 HydrophobicContact CE2-CG 4.33Å; F392-Y429 AromaticContact CZ-CD2 3.26Å; F392-Y429 HydrophobicContact CZ-CD2 3.26Å; F392-Y429 AromaticContact CZ-CE2 3.32Å; F392-Y429 HydrophobicContact CZ-CE2 3.32Å
393R74Confident72.8Confident189 Ų18967.3 Ų67.371%0.71333%0.333SS*.Hα-helixtrans-75-22.4175.3-65.7175.5-156.9-169.37.9113.8E389 G390 T391E389-R393 WeakPolarHBondContact O-CG 3.49Å; E389-R393 PolarHBondContact O-N 3.09Å; E389-R393 VanDerWaalsContact O-N 3.07Å; E389-R393 IonicContact OE2-NH2 3.12Å; E389-R393 PolarHBondContact OE2-NH2 2.99Å; E389-R393 VanDerWaalsContact OE2-NH2 3.12Å; G390-R393 PolarHBondContact O-N 2.89Å; T391-R393 PolarHBondContact O-N 3.29Å
394L71.2Confident71.5Confident127 Ų12771.7 Ų71.767%0.66536%0.356SS*.Hα-helixtrans-86.4-12.3-179.9-70.7170.8000113.4G390 T391G390-L394 VanDerWaalsContact O-CG 3.32Å; G390-L394 WeakPolarHBondContact O-CG 3.38Å; G390-L394 PolarHBondContact O-N 3.27Å; T391-L394 WeakPolarHBondContact O-CB 3.45Å; T391-L394 PolarHBondContact O-N 3.14Å
395I70.2Confident70.5Confident25 Ų2573 Ų7313%0.12836%0.362CS..SBendtrans-64.3126.9177.2-58172.4000108.5V332 E333 T391 Y397 L399 Y429V332-I395 HydrophobicContact CG1-CD1 4.39Å; E333-I395 HydrophobicContact CG-CG1 4.41Å; T391-I395 PolarHBondContact O-N 2.97Å; I395-Y397 PolarHBondContact O-N 3.39Å; I395-L399 HydrophobicContact CG2-CD2 3.43Å; I395-L399 VanDerWaalsContact CG2-CD2 3.43Å; I395-Y429 WeakPolarHBondContact CD1-OH 3.33Å; I395-Y429 WeakPolarHBondContact CG2-OH 3.45Å
396P63Low69.4Low45 Ų4571.8 Ų71.829%0.29236%0.357SS..  trans-57.3137.1-175.1-24.832.6000113.4P398 L399 N403P396-P398 CarbonylContact O-C 3.51Å; P396-L399 WeakPolarHBondContact O-CD2 3.45Å; P396-L399 PolarHBondContact O-N 3.48Å; P396-N403 HydrophobicContact CG-CB 4.18Å
397Y55.5Low68.6Low169 Ų16971.4 Ų71.466%0.66335%0.354SS*.SBendtrans-108.6134.9167-173.7-92000110.2I395I395-Y397 PolarHBondContact O-N 3.39Å
398P55Low67.8Low49 Ų4971.8 Ų71.832%0.31835%0.354SS..SBendcis-70.6150.7-6.729.9-33.4000111.6P396 E400 K401P396-P398 CarbonylContact O-C 3.51Å; P398-E400 HydrophobicContact CB-CB 4.5Å; P398-E400 HydrophobicContact CB-CG 4.48Å; P398-E400 HydrophobicContact CG-CB 4.49Å; P398-E400 PolarHBondContact O-N 2.85Å; P398-K401 PolarHBondContact O-N 3.22Å
399L56.1Low67.2Low20 Ų2072.6 Ų72.611%0.10536%0.361CS..G310 helixtrans-61-7.4-179.4-64.4176.8000113.9I395 P396 K401 G402 P407 Y408 Y429 P430I395-L399 HydrophobicContact CG2-CD2 3.43Å; I395-L399 VanDerWaalsContact CG2-CD2 3.43Å; P396-L399 WeakPolarHBondContact O-CD2 3.45Å; P396-L399 PolarHBondContact O-N 3.48Å; L399-K401 PolarHBondContact O-N 2.91Å; L399-G402 PolarHBondContact O-N 3.44Å; L399-P407 WeakPolarHBondContact O-CA 3.44Å; L399-P407 WeakPolarHBondContact O-CB 3.28Å; L399-Y408 HydrophobicContact CD1-CD2 3.92Å; L399-Y408 HydrophobicContact CD1-CG 4.1Å; L399-Y429 HydrophobicContact CD1-CD1 4.06Å; L399-Y429 HydrophobicContact CD1-CE1 3.49Å; L399-Y429 VanDerWaalsContact CD1-CE1 3.49Å; L399-Y429 HydrophobicContact CD2-CE1 4.04Å; L399-Y429 WeakPolarHBondContact CD2-OH 3.37Å; L399-Y429 HydrophobicContact CG-CE1 4.44Å; L399-P430 HydrophobicContact CD1-CB 3.78Å; L399-P430 HydrophobicContact CD1-CG 3.4Å; L399-P430 VanDerWaalsContact CD1-CG 3.4Å; L399-P430 HydrophobicContact CG-CB 4.34Å; L399-P430 HydrophobicContact CG-CG 4.07Å
400E52.7Low66.7Low114 Ų11475.8 Ų75.853%0.53338%0.376SS..G310 helixtrans-59.5-20.3172.2-64-178.9171.800113.2P398 P407 H410P398-E400 HydrophobicContact CB-CB 4.5Å; P398-E400 HydrophobicContact CB-CG 4.48Å; P398-E400 HydrophobicContact CG-CB 4.49Å; P398-E400 PolarHBondContact O-N 2.85Å; E400-P407 WeakPolarHBondContact O-CG 3.34Å; E400-H410 IonicContact OE1-CE1 3.44Å
401K48.9Very low66.8Low138 Ų13875.8 Ų75.860%0.637%0.37SS*.G310 helixtrans-92.514.8177.3-63.3-169.2175.9-172.10114.6P398 L399 N403P398-K401 PolarHBondContact O-N 3.22Å; L399-K401 PolarHBondContact O-N 2.91Å; K401-N403 PolarHBondContact O-N 3.29Å
402G53.8Low67.1Low29 Ų2975.9 Ų75.930%0.29937%0.37SS..  trans-20123.2-172.100000116.1L399 F405L399-G402 PolarHBondContact O-N 3.44Å; G402-F405 CarbonylContact C-O 3.47Å; G402-F405 VanDerWaalsContact C-O 3.31Å; G402-F405 WeakPolarHBondContact CA-O 3.46Å
403N61.4Low67.6Low114 Ų11475.3 Ų75.361%0.6137%0.372SS*.SBendtrans-80.2-57.8-167-176.329.3000112.2E333 P396 K401E333-N403 VanDerWaalsContact OE1-CB 3.31Å; E333-N403 WeakPolarHBondContact OE1-CB 3.22Å; E333-N403 PolarHBondContact OE1-N 2.95Å; P396-N403 HydrophobicContact CG-CB 4.18Å; K401-N403 PolarHBondContact O-N 3.29Å
404L67.9Low68.3Low94 Ų9468.3 Ų68.349%0.49235%0.354SS..SBendtrans-102-18.3176.7-63.4178000113R330 E333R330-L404 HydrophobicContact CB-CD1 4.05Å; R330-L404 HydrophobicContact CG-CD1 3.95Å; E333-L404 PolarHBondContact OE1-N 3.12Å; E333-L404 WeakPolarHBondContact OE2-CD1 3.44Å; E333-L404 WeakPolarHBondContact OE2-CG 3.46Å
405F75.6Confident69.2Low28 Ų2863.1 Ų63.112%0.12333%0.328CS..SBendtrans-137.6157.9-176-56.4-74.4000110.7K287 R330 E333 F334 G402K287-F405 HydrophobicContact CB-CE1 4.27Å; K287-F405 HydrophobicContact CG-CE1 4.14Å; R330-F405 HydrophobicContact CG-CE2 4.03Å; R330-F405 HydrophobicContact CG-CZ 3.86Å; R330-F405 VanDerWaalsContact O-CE2 3.31Å; R330-F405 WeakPolarHBondContact O-CE2 3.4Å; E333-F405 HydrophobicContact CB-CD2 4.29Å; E333-F405 HydrophobicContact CB-CE2 4.35Å; E333-F405 HydrophobicContact CG-CD2 4.17Å; F334-F405 HydrophobicContact CB-CD2 4.07Å; F334-F405 HydrophobicContact CB-CE1 4.36Å; F334-F405 HydrophobicContact CB-CE2 3.61Å; F334-F405 HydrophobicContact CB-CZ 3.76Å; F334-F405 AromaticContact CD2-CD1 3.78Å; F334-F405 HydrophobicContact CD2-CD1 3.78Å; F334-F405 HydrophobicContact CD2-CD2 4.42Å; F334-F405 AromaticContact CD2-CE1 3.64Å; F334-F405 HydrophobicContact CD2-CE1 3.64Å; F334-F405 HydrophobicContact CD2-CE2 4.31Å; F334-F405 HydrophobicContact CD2-CG 4.16Å; F334-F405 AromaticContact CD2-CZ 3.92Å; F334-F405 HydrophobicContact CD2-CZ 3.92Å; F334-F405 HydrophobicContact CE2-CE1 4.5Å; F334-F405 HydrophobicContact CG-CE1 4.44Å; F334-F405 HydrophobicContact CG-CE2 4.47Å; F334-F405 HydrophobicContact CG-CZ 4.28Å; G402-F405 CarbonylContact C-O 3.47Å; G402-F405 VanDerWaalsContact C-O 3.31Å; G402-F405 WeakPolarHBondContact CA-O 3.46Å
406Y72.3Confident70.3Confident103 Ų10362.1 Ų62.140%0.40432%0.323SS..PPolyproline II helixtrans-54.9162.217761.2-87.4000112.6R358R358-Y406 PolarHBondContact NH1-O 3.37Å; R358-Y406 PolarHBondContact NH2-O 3.05Å
407P72.8Confident71.8Confident46 Ų4665.1 Ų65.130%0.29933%0.328SS..PPolyproline II helixtrans-59154.2177.3-3241.6000114.7L399 E400 P409L399-P407 WeakPolarHBondContact O-CA 3.44Å; L399-P407 WeakPolarHBondContact O-CB 3.28Å; E400-P407 WeakPolarHBondContact O-CG 3.34Å; P407-P409 WeakPolarHBondContact O-CD 3.44Å
408Y74.8Confident73.7Confident21 Ų2161.8 Ų61.88%0.08232%0.319CS..PPolyproline II helixtrans-70.9124170.2-92.2-98.1000110.3F334 P336 R358 L399 T412 Y429F334-Y408 PolarHBondContact O-OH 3.39Å; P336-Y408 WeakPolarHBondContact CD-OH 2.99Å; R358-Y408 HydrophobicContact CB-CE1 3.92Å; R358-Y408 WeakPolarHBondContact CB-OH 3.44Å; R358-Y408 VanDerWaalsContact CZ-CE2 3.48Å; R358-Y408 VanDerWaalsContact O-CE1 3.31Å; R358-Y408 WeakPolarHBondContact O-CE1 3.23Å; R358-Y408 PolarHBondContact O-OH 2.97Å; L399-Y408 HydrophobicContact CD1-CD2 3.92Å; L399-Y408 HydrophobicContact CD1-CG 4.1Å; Y408-T412 HydrophobicContact CD1-CG2 4.34Å; Y408-Y429 HydrophobicContact CD1-CD1 4.44Å; Y408-Y429 HydrophobicContact CD2-CD1 4.41Å; Y408-Y429 HydrophobicContact CD2-CE1 4.1Å; Y408-Y429 HydrophobicContact CE1-CD1 4.29Å; Y408-Y429 HydrophobicContact CE2-CD1 4.25Å; Y408-Y429 AromaticContact CE2-CE1 3.92Å; Y408-Y429 HydrophobicContact CE2-CE1 3.92Å
409P73.8Confident75.7Confident30 Ų3059.4 Ų59.420%0.19530%0.303CS..PPolyproline II helixtrans-61.5141.4174.6-22.632.8000111.8C77 P407 S411 T412C77-P409 VanDerWaalsContact SG-CB 3.53Å; P407-P409 WeakPolarHBondContact O-CD 3.44Å; P409-S411 PolarHBondContact O-N 3.34Å; P409-S411 VanDerWaalsContact O-N 3.12Å; P409-T412 WeakPolarHBondContact CD-OG1 3.35Å; P409-T412 WeakPolarHBondContact O-CB 3.21Å; P409-T412 PolarHBondContact O-N 2.97Å; P409-T412 VanDerWaalsContact O-N 3.11Å; P409-T412 PolarHBondContact O-OG1 3.34Å; P409-T412 VanDerWaalsContact O-OG1 3.05Å
410H72.3Confident77.7Confident147 Ų14758.5 Ų58.568%0.68130%0.299SS*.THydrogen-bonded Turntrans-60.3-23.7176.3-74.888.7000113.5E400E400-H410 IonicContact OE1-CE1 3.44Å
411S80.5Confident79.8Confident38 Ų3853.3 Ų53.327%0.26628%0.275SS..THydrogen-bonded Turntrans-86.1-3.717947.30000114.7C77 P409 T413 A414 T415C77-S411 PolarHBondContact SG-OG 3.15Å; P409-S411 PolarHBondContact O-N 3.34Å; P409-S411 VanDerWaalsContact O-N 3.12Å; S411-T413 VanDerWaalsContact C-N 3.33Å; S411-T413 PolarHBondContact O-N 3.42Å; S411-A414 PolarHBondContact O-N 3.26Å; S411-T415 PolarHBondContact O-N 3.02Å; S411-T415 PolarHBondContact O-OG1 3.28Å
412T83.4Confident81.9Confident8 Ų852.1 Ų52.15%0.04928%0.284CS..Hα-helixtrans-51.7-48.9-173.4-67.80000112.8L356 Y408 P409 A414 T415 D416L356-T412 HydrophobicContact CD2-CG2 3.73Å; L356-T412 WeakPolarHBondContact CD2-O 3.29Å; Y408-T412 HydrophobicContact CD1-CG2 4.34Å; P409-T412 WeakPolarHBondContact CD-OG1 3.35Å; P409-T412 WeakPolarHBondContact O-CB 3.21Å; P409-T412 PolarHBondContact O-N 2.97Å; P409-T412 VanDerWaalsContact O-N 3.11Å; P409-T412 PolarHBondContact O-OG1 3.34Å; P409-T412 VanDerWaalsContact O-OG1 3.05Å; T412-A414 VanDerWaalsContact C-N 3.34Å; T412-A414 PolarHBondContact O-N 3.39Å; T412-T415 PolarHBondContact O-N 3.39Å; T412-D416 WeakPolarHBondContact O-CB 3.48Å; T412-D416 PolarHBondContact O-N 3.18Å
413T85.1Confident83.8Confident48 Ų4853.9 Ų53.929%0.29428%0.283SS..Hα-helixtrans-64.7-36.6179.2-53.70000112.7S411 R417 L426S411-T413 VanDerWaalsContact C-N 3.33Å; S411-T413 PolarHBondContact O-N 3.42Å; T413-R417 WeakPolarHBondContact O-CB 3.45Å; T413-R417 PolarHBondContact O-N 3.13Å; T413-L426 HydrophobicContact CG2-CD1 3.91Å; T413-L426 WeakPolarHBondContact O-CD1 3.45Å
414A87.7Confident85.4Confident41 Ų4148.7 Ų48.734%0.33926%0.256SS..Hα-helixtrans-70.5-44.5179.200000111.2S411 T412 R417 E418S411-A414 PolarHBondContact O-N 3.26Å; T412-A414 VanDerWaalsContact C-N 3.34Å; T412-A414 PolarHBondContact O-N 3.39Å; A414-R417 WeakPolarHBondContact O-CB 3.05Å; A414-R417 PolarHBondContact O-N 3Å; A414-E418 PolarHBondContact O-N 2.91Å
415T90.8Very high86.6Confident19 Ų1949.4 Ų49.412%0.11726%0.264CS..Hα-helixtrans-64.9-43.4177.4-58.30000111.8C77 V79 L356 S411 T412 R417 E418 L419C77-T415 HydrophobicContact CB-CG2 3.96Å; C77-T415 WeakPolarHBondContact CB-OG1 3.35Å; V79-T415 HydrophobicContact CG2-CG2 3.58Å; L356-T415 HydrophobicContact CD1-CG2 4.32Å; L356-T415 HydrophobicContact CD2-CG2 4.08Å; S411-T415 PolarHBondContact O-N 3.02Å; S411-T415 PolarHBondContact O-OG1 3.28Å; T412-T415 PolarHBondContact O-N 3.39Å; T415-R417 VanDerWaalsContact C-N 3.26Å; T415-R417 PolarHBondContact O-N 3.38Å; T415-E418 PolarHBondContact O-N 3.04Å; T415-E418 VanDerWaalsContact O-N 3.17Å; T415-L419 PolarHBondContact O-N 2.98Å
416D93.8Very high87.4Confident3 Ų348.9 Ų48.92%0.01626%0.262CS..Hα-helixtrans-63.4-32.1173.7-94.4-30.6000112.4G359 D360 S361 T412 E418 L419 L420 L426G359-D416 WeakPolarHBondContact CA-OD2 3.47Å; D360-D416 PolarHBondContact N-OD2 3.46Å; S361-D416 VanDerWaalsContact CB-OD1 3.25Å; S361-D416 WeakPolarHBondContact CB-OD1 3.23Å; S361-D416 PolarHBondContact N-OD1 2.94Å; S361-D416 PolarHBondContact OG-OD1 3.46Å; T412-D416 WeakPolarHBondContact O-CB 3.48Å; T412-D416 PolarHBondContact O-N 3.18Å; D416-E418 VanDerWaalsContact C-N 3.28Å; D416-E418 PolarHBondContact O-N 3.26Å; D416-L419 PolarHBondContact O-N 3.17Å; D416-L420 HydrophobicContact CB-CD1 4.23Å; D416-L420 VanDerWaalsContact O-CB 3.31Å; D416-L420 WeakPolarHBondContact O-CB 3.38Å; D416-L420 WeakPolarHBondContact O-CG 3.48Å; D416-L420 PolarHBondContact O-N 3.39Å; D416-L426 HydrophobicContact CB-CD2 3.98Å
417R93.9Very high88.2Confident109 Ų10944.8 Ų44.841%0.41125%0.249SC..Hα-helixtrans-63.8-34.3175-175.452.570.7-175.78112.4T413 A414 T415 H424 L426T413-R417 WeakPolarHBondContact O-CB 3.45Å; T413-R417 PolarHBondContact O-N 3.13Å; A414-R417 WeakPolarHBondContact O-CB 3.05Å; A414-R417 PolarHBondContact O-N 3Å; T415-R417 VanDerWaalsContact C-N 3.26Å; T415-R417 PolarHBondContact O-N 3.38Å; R417-H424 PolarHBondContact NH1-O 3.4Å; R417-L426 HydrophobicContact CB-CD1 3.61Å; R417-L426 HydrophobicContact CG-CD1 4.31Å; R417-L426 VanDerWaalsContact CZ-CG 3.49Å
418E95.3Very high88.4Confident98 Ų9846.9 Ų46.946%0.45826%0.26SS..Hα-helixtrans-73.5-33.4177.3-67-177.2172.300111.7T105 Y107 A414 T415 D416T105-E418 WeakPolarHBondContact CB-O 3.47Å; T105-E418 WeakPolarHBondContact CG2-O 3.04Å; T105-E418 PolarHBondContact OG1-O 3.43Å; Y107-E418 HydrophobicContact CD1-CB 3.67Å; Y107-E418 HydrophobicContact CD2-CB 4.39Å; Y107-E418 HydrophobicContact CE1-CB 4.01Å; Y107-E418 WeakPolarHBondContact CE2-OE2 3.47Å; Y107-E418 HydrophobicContact CG-CB 3.88Å; A414-E418 PolarHBondContact O-N 2.91Å; T415-E418 PolarHBondContact O-N 3.04Å; T415-E418 VanDerWaalsContact O-N 3.17Å; D416-E418 VanDerWaalsContact C-N 3.28Å; D416-E418 PolarHBondContact O-N 3.26Å
419L96.9Very high88.1Confident0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-76.8-45.1177.3-69.3172.3000112.9V79 T105 Y107 D108 L111 T352 H354 L356 T415 D416V79-L419 HydrophobicContact CG1-CD1 4.1Å; V79-L419 HydrophobicContact CG1-CD2 4.07Å; V79-L419 HydrophobicContact CG2-CD1 4.24Å; T105-L419 WeakPolarHBondContact CG2-O 3.48Å; T105-L419 PolarHBondContact OG1-O 3.36Å; Y107-L419 HydrophobicContact CD1-CD2 3.85Å; Y107-L419 HydrophobicContact CD1-CG 4.32Å; Y107-L419 HydrophobicContact CE1-CD2 3.76Å; Y107-L419 HydrophobicContact CE1-CG 4.14Å; D108-L419 HydrophobicContact CB-CD2 4.37Å; L111-L419 HydrophobicContact CD1-CD2 3.89Å; T352-L419 VanDerWaalsContact CG2-O 3.24Å; T352-L419 WeakPolarHBondContact CG2-O 3.14Å; H354-L419 HydrophobicContact CB-CD2 4.01Å; L356-L419 HydrophobicContact CB-CD1 4.17Å; T415-L419 PolarHBondContact O-N 2.98Å; D416-L419 PolarHBondContact O-N 3.17Å
420L97.4Very high87.5Confident1 Ų147.2 Ų47.21%0.00526%0.263CS..SBendtrans-88.3142.6-169.9-68.7165.2000112.3I349 T352 D360 I364 D416 L426I349-L420 HydrophobicContact CD1-CD2 4.08Å; T352-L420 HydrophobicContact CG2-CD2 3.89Å; D360-L420 HydrophobicContact CB-CD1 3.56Å; I364-L420 HydrophobicContact CD1-CD1 4.16Å; I364-L420 HydrophobicContact CD1-CD2 3.5Å; D416-L420 HydrophobicContact CB-CD1 4.23Å; D416-L420 VanDerWaalsContact O-CB 3.31Å; D416-L420 WeakPolarHBondContact O-CB 3.38Å; D416-L420 WeakPolarHBondContact O-CG 3.48Å; D416-L420 PolarHBondContact O-N 3.39Å; L420-L426 HydrophobicContact CB-CD2 4.32Å; L420-L426 HydrophobicContact CD1-CD2 3.47Å; L420-L426 VanDerWaalsContact CD1-CD2 3.47Å; L420-L426 HydrophobicContact CG-CD2 4.5Å
421P96.3Very high86.9Confident4 Ų447.2 Ų47.23%0.02626%0.261CS..  trans-65.4153.9-17827.9-35.5000112I349 F423 H424I349-P421 HydrophobicContact CD1-CG 3.74Å; P421-F423 HydrophobicContact CB-CD1 3.81Å; P421-F423 HydrophobicContact CB-CE1 3.44Å; P421-F423 VanDerWaalsContact CB-CE1 3.44Å; P421-F423 HydrophobicContact CB-CE2 4.38Å; P421-F423 HydrophobicContact CB-CG 4.44Å; P421-F423 HydrophobicContact CB-CZ 3.75Å; P421-F423 HydrophobicContact CG-CD1 4.26Å; P421-F423 HydrophobicContact CG-CD2 4.35Å; P421-F423 HydrophobicContact CG-CE1 3.69Å; P421-F423 HydrophobicContact CG-CE2 3.77Å; P421-F423 HydrophobicContact CG-CZ 3.4Å; P421-F423 VanDerWaalsContact CG-CZ 3.4Å; P421-F423 PolarHBondContact O-N 2.94Å; P421-F423 VanDerWaalsContact O-N 3.16Å; P421-H424 HydrophobicContact CG-CB 4.37Å; P421-H424 WeakPolarHBondContact O-CB 3.31Å; P421-H424 PolarHBondContact O-N 3.03Å
422S93.2Very high85.9Confident114 Ų11450.4 Ų50.480%0.79727%0.27SS*.THydrogen-bonded Turntrans-62.3-26.3-174.359.20000114.4H424S422-H424 PolarHBondContact O-N 3.09Å
423F94.5Very high84.7Confident66 Ų6656.5 Ų56.529%0.28930%0.302SS..THydrogen-bonded Turntrans-73.9-8.3175.763.2-104.4000113.1F95 R101 D102 I349 P421F95-F423 HydrophobicContact CE1-CZ 4.23Å; F95-F423 HydrophobicContact CZ-CZ 4.24Å; R101-F423 HydrophobicContact CB-CD1 4.09Å; R101-F423 HydrophobicContact CB-CE1 3.9Å; D102-F423 WeakPolarHBondContact O-CE1 3.43Å; I349-F423 HydrophobicContact CB-CE2 4.32Å; I349-F423 HydrophobicContact CD1-CE2 4.5Å; I349-F423 HydrophobicContact CG2-CD2 4.45Å; I349-F423 HydrophobicContact CG2-CE2 3.85Å; P421-F423 HydrophobicContact CB-CD1 3.81Å; P421-F423 HydrophobicContact CB-CE1 3.44Å; P421-F423 VanDerWaalsContact CB-CE1 3.44Å; P421-F423 HydrophobicContact CB-CE2 4.38Å; P421-F423 HydrophobicContact CB-CG 4.44Å; P421-F423 HydrophobicContact CB-CZ 3.75Å; P421-F423 HydrophobicContact CG-CD1 4.26Å; P421-F423 HydrophobicContact CG-CD2 4.35Å; P421-F423 HydrophobicContact CG-CE1 3.69Å; P421-F423 HydrophobicContact CG-CE2 3.77Å; P421-F423 HydrophobicContact CG-CZ 3.4Å; P421-F423 VanDerWaalsContact CG-CZ 3.4Å; P421-F423 PolarHBondContact O-N 2.94Å; P421-F423 VanDerWaalsContact O-N 3.16Å
424H95.5Very high83.5Confident5 Ų558 Ų582%0.02331%0.311CS..SBendtrans-90.8132.9173.2179.4-89.5000111.5Y341 K346 I349 I364 R417 P421 S422Y341-H424 AromaticContact CZ-NE2 3.82Å; Y341-H424 PolarHBondContact OH-CE1 3.49Å; Y341-H424 PolarHBondContact OH-NE2 3.18Å; K346-H424 PolarHBondContact NZ-CE1 2.89Å; I349-H424 HydrophobicContact CD1-CB 3.96Å; I364-H424 WeakPolarHBondContact CD1-NE2 3.36Å; R417-H424 PolarHBondContact NH1-O 3.4Å; P421-H424 HydrophobicContact CG-CB 4.37Å; P421-H424 WeakPolarHBondContact O-CB 3.31Å; P421-H424 PolarHBondContact O-N 3.03Å; S422-H424 PolarHBondContact O-N 3.09Å
425T93.4Very high82.6Confident109 Ų10959.5 Ų59.567%0.66932%0.318SS*.PPolyproline II helixtrans-89.9117.3175.3-59.10000109.1K346K346-T425 WeakPolarHBondContact CE-O 3.35Å; K346-T425 PolarHBondContact NZ-O 3.02Å
426L91.5Very high81.9Confident17 Ų1766.2 Ų66.29%0.08935%0.345CS..PPolyproline II helixtrans-66144.9176.9-66.5178.1000112.2D360 T413 D416 R417 L420D360-L426 HydrophobicContact CB-CD2 4.46Å; T413-L426 HydrophobicContact CG2-CD1 3.91Å; T413-L426 WeakPolarHBondContact O-CD1 3.45Å; D416-L426 HydrophobicContact CB-CD2 3.98Å; R417-L426 HydrophobicContact CB-CD1 3.61Å; R417-L426 HydrophobicContact CG-CD1 4.31Å; R417-L426 VanDerWaalsContact CZ-CG 3.49Å; L420-L426 HydrophobicContact CB-CD2 4.32Å; L420-L426 HydrophobicContact CD1-CD2 3.47Å; L420-L426 VanDerWaalsContact CD1-CD2 3.47Å; L420-L426 HydrophobicContact CG-CD2 4.5Å
427S88.4Confident80.8Confident17 Ų1772.6 Ų72.612%0.11937%0.373CS..PPolyproline II helixtrans-76.5123.1165.2-57.90000107.9H337 K346 D360H337-S427 WeakPolarHBondContact ND1-CB 3.36Å; K346-S427 PolarHBondContact NZ-OG 3Å; D360-S427 WeakPolarHBondContact OD1-CB 3.05Å; D360-S427 PolarHBondContact OD1-OG 3.29Å; D360-S427 WeakPolarHBondContact OD2-CA 3.38Å; D360-S427 WeakPolarHBondContact OD2-CB 3.38Å; D360-S427 PolarHBondContact OD2-N 3.13Å; D360-S427 PolarHBondContact OD2-OG 3.49Å
428V76.8Confident80Confident89 Ų8971.9 Ų71.954%0.53938%0.377SS..  trans-89.8112.8169-175.90000107.4
429Y69.4Low79.3Confident19 Ų1972.1 Ų72.18%0.07538%0.38CS..SBendtrans-136.2133171.2-176.6-100.3000110.2P336 H337 F392 I395 L399 Y408P336-Y429 HydrophobicContact CB-CE1 4.45Å; P336-Y429 HydrophobicContact CB-CE2 4.41Å; P336-Y429 HydrophobicContact CG-CD1 3.39Å; P336-Y429 HydrophobicContact CG-CD2 4.08Å; P336-Y429 HydrophobicContact CG-CE1 3.5Å; P336-Y429 VanDerWaalsContact CG-CE1 3.5Å; P336-Y429 HydrophobicContact CG-CE2 4.16Å; P336-Y429 HydrophobicContact CG-CG 3.69Å; H337-Y429 WeakPolarHBondContact CE1-CB 3.27Å; F392-Y429 HydrophobicContact CD2-CD2 4.31Å; F392-Y429 AromaticContact CD2-CE2 3.92Å; F392-Y429 HydrophobicContact CD2-CE2 3.92Å; F392-Y429 HydrophobicContact CE1-CD2 4.33Å; F392-Y429 HydrophobicContact CE1-CE2 4.04Å; F392-Y429 AromaticContact CE2-CD2 3.23Å; F392-Y429 HydrophobicContact CE2-CD2 3.23Å; F392-Y429 AromaticContact CE2-CE2 3.22Å; F392-Y429 HydrophobicContact CE2-CE2 3.22Å; F392-Y429 HydrophobicContact CE2-CG 4.33Å; F392-Y429 AromaticContact CZ-CD2 3.26Å; F392-Y429 HydrophobicContact CZ-CD2 3.26Å; F392-Y429 AromaticContact CZ-CE2 3.32Å; F392-Y429 HydrophobicContact CZ-CE2 3.32Å; I395-Y429 WeakPolarHBondContact CD1-OH 3.33Å; I395-Y429 WeakPolarHBondContact CG2-OH 3.45Å; L399-Y429 HydrophobicContact CD1-CD1 4.06Å; L399-Y429 HydrophobicContact CD1-CE1 3.49Å; L399-Y429 VanDerWaalsContact CD1-CE1 3.49Å; L399-Y429 HydrophobicContact CD2-CE1 4.04Å; L399-Y429 WeakPolarHBondContact CD2-OH 3.37Å; L399-Y429 HydrophobicContact CG-CE1 4.44Å; Y408-Y429 HydrophobicContact CD1-CD1 4.44Å; Y408-Y429 HydrophobicContact CD2-CD1 4.41Å; Y408-Y429 HydrophobicContact CD2-CE1 4.1Å; Y408-Y429 HydrophobicContact CE1-CD1 4.29Å; Y408-Y429 HydrophobicContact CE2-CD1 4.25Å; Y408-Y429 AromaticContact CE2-CE1 3.92Å; Y408-Y429 HydrophobicContact CE2-CE1 3.92Å
430P60.7Low78.5Confident39 Ų3976.9 Ų76.925%0.25340%0.401SS..SBendcis-65.9150.2-9.529.1-27.6000109.3L399 K432L399-P430 HydrophobicContact CD1-CB 3.78Å; L399-P430 HydrophobicContact CD1-CG 3.4Å; L399-P430 VanDerWaalsContact CD1-CG 3.4Å; L399-P430 HydrophobicContact CG-CB 4.34Å; L399-P430 HydrophobicContact CG-CG 4.07Å; P430-K432 PolarHBondContact O-N 3.48Å
431K61.3Low77.9Confident147 Ų14779.8 Ų79.864%0.63942%0.416SS*.  trans-63110.9164.2-78-172.3178.5-177.60105.4D433K431-D433 PolarHBondContact O-N 2.96Å
432K58.3Low77.2Confident106 Ų10681.9 Ų81.946%0.46143%0.434SS..  trans-64.6104.7168.4-65.6-169-176.7-167.20106E42 P430 V434E42-K432 IonicContact OE1-NZ 3.73Å; E42-K432 PolarHBondContact OE1-NZ 2.97Å; P430-K432 PolarHBondContact O-N 3.48Å; K432-V434 PolarHBondContact O-N 2.72Å
433D58.7Low77Confident135 Ų13580.3 Ų80.372%0.72242%0.42SS*.PPolyproline II helixtrans-60.3125165.1-73.4-34.1000106.3K431 P435K431-D433 PolarHBondContact O-N 2.96Å; D433-P435 VanDerWaalsContact O-CD 3.25Å; D433-P435 WeakPolarHBondContact O-CD 3.32Å
434V60.1Low76.7Confident79 Ų7981.1 Ų81.148%0.47943%0.427SS..PPolyproline II helixtrans-56.8119.4175.8178.80000106K432 F436 I438 L439K432-V434 PolarHBondContact O-N 2.72Å; V434-F436 PolarHBondContact O-N 3.19Å; V434-I438 HydrophobicContact CG1-CB 3.69Å; V434-I438 HydrophobicContact CG1-CD1 4.43Å; V434-I438 HydrophobicContact CG1-CG2 3.82Å; V434-L439 HydrophobicContact CB-CG 4.38Å; V434-L439 HydrophobicContact CG1-CD2 4.28Å; V434-L439 HydrophobicContact CG1-CG 3.89Å
435P67.3Low76.3Confident74 Ų7484.5 Ų84.548%0.48145%0.45SS..PPolyproline II helixtrans-50.5132.5179.7-2631.8000108.7D433 F437 I438 L439D433-P435 VanDerWaalsContact O-CD 3.25Å; D433-P435 WeakPolarHBondContact O-CD 3.32Å; P435-F437 PolarHBondContact O-N 3.25Å; P435-I438 HydrophobicContact CB-CG1 4.3Å; P435-I438 HydrophobicContact CG-CD1 4.13Å; P435-I438 HydrophobicContact CG-CG1 4.32Å; P435-I438 PolarHBondContact O-N 2.87Å; P435-L439 PolarHBondContact O-N 3.21Å
436F76.2Confident76.1Confident160 Ų16082.6 Ų82.670%0.70244%0.441SS*.Hα-helixtrans-46.3-36.4179.5166.8-98.9000111.6V434 I438 L439 F440V434-F436 PolarHBondContact O-N 3.19Å; F436-I438 PolarHBondContact O-N 3.34Å; F436-L439 PolarHBondContact O-N 3.26Å; F436-F440 HydrophobicContact CD1-CB 4.49Å; F436-F440 HydrophobicContact CE1-CB 4.12Å; F436-F440 HydrophobicContact CE1-CD2 4.38Å; F436-F440 HydrophobicContact CE1-CG 4.35Å; F436-F440 HydrophobicContact CZ-CB 4.26Å; F436-F440 HydrophobicContact CZ-CD2 4.17Å; F436-F440 HydrophobicContact CZ-CG 4.49Å; F436-F440 VanDerWaalsContact O-CB 3.3Å; F436-F440 WeakPolarHBondContact O-CB 3.38Å; F436-F440 PolarHBondContact O-N 3.14Å
437F71Confident76.1Confident137 Ų13786.2 Ų86.260%0.60146%0.46SS*.Hα-helixtrans-60.6-36.8177.1-165.7-103.6000114.2P435 F440 I441P435-F437 PolarHBondContact O-N 3.25Å; F437-F440 HydrophobicContact CD2-CD1 4.46Å; F437-F440 PolarHBondContact O-N 3.49Å; F437-I441 HydrophobicContact CD1-CG1 3.77Å; F437-I441 HydrophobicContact CD2-CG1 4.37Å; F437-I441 HydrophobicContact CE1-CD1 3.95Å; F437-I441 HydrophobicContact CE1-CG1 3.44Å; F437-I441 VanDerWaalsContact CE1-CG1 3.44Å; F437-I441 HydrophobicContact CE2-CD1 4.08Å; F437-I441 HydrophobicContact CE2-CG1 4.08Å; F437-I441 HydrophobicContact CG-CG1 4.24Å; F437-I441 HydrophobicContact CZ-CD1 3.62Å; F437-I441 HydrophobicContact CZ-CG1 3.61Å; F437-I441 VanDerWaalsContact O-CB 3.3Å; F437-I441 WeakPolarHBondContact O-CB 3.28Å; F437-I441 WeakPolarHBondContact O-CG1 3.46Å; F437-I441 PolarHBondContact O-N 3.39Å
438I77.2Confident76.1Confident94 Ų9488.9 Ų88.948%0.48248%0.475SS..Hα-helixtrans-65.9-45.4175.4-61.6-172.9000110.1V434 P435 F436 F440 I441 A442V434-I438 HydrophobicContact CG1-CB 3.69Å; V434-I438 HydrophobicContact CG1-CD1 4.43Å; V434-I438 HydrophobicContact CG1-CG2 3.82Å; P435-I438 HydrophobicContact CB-CG1 4.3Å; P435-I438 HydrophobicContact CG-CD1 4.13Å; P435-I438 HydrophobicContact CG-CG1 4.32Å; P435-I438 PolarHBondContact O-N 2.87Å; F436-I438 PolarHBondContact O-N 3.34Å; I438-F440 VanDerWaalsContact C-N 3.33Å; I438-F440 PolarHBondContact O-N 3.29Å; I438-I441 PolarHBondContact O-N 2.78Å; I438-A442 WeakPolarHBondContact O-CB 3.43Å; I438-A442 PolarHBondContact O-N 3Å
439L80.3Confident76.5Confident102 Ų10287.5 Ų87.553%0.53447%0.474SS..Hα-helixtrans-63.5-41.6176.3-69.6172.3000111.3V434 P435 F436 T443V434-L439 HydrophobicContact CB-CG 4.38Å; V434-L439 HydrophobicContact CG1-CD2 4.28Å; V434-L439 HydrophobicContact CG1-CG 3.89Å; P435-L439 PolarHBondContact O-N 3.21Å; F436-L439 PolarHBondContact O-N 3.26Å; L439-T443 VanDerWaalsContact O-CB 3.28Å; L439-T443 WeakPolarHBondContact O-CB 3.23Å; L439-T443 PolarHBondContact O-N 2.94Å; L439-T443 PolarHBondContact O-OG1 3.48Å
440F82.2Confident77.5Confident101 Ų10191.2 Ų91.244%0.44349%0.494SS..Hα-helixtrans-61.9-49176.7179.1-102.4000111.8F436 F437 I438 T443 L444F436-F440 HydrophobicContact CD1-CB 4.49Å; F436-F440 HydrophobicContact CE1-CB 4.12Å; F436-F440 HydrophobicContact CE1-CD2 4.38Å; F436-F440 HydrophobicContact CE1-CG 4.35Å; F436-F440 HydrophobicContact CZ-CB 4.26Å; F436-F440 HydrophobicContact CZ-CD2 4.17Å; F436-F440 HydrophobicContact CZ-CG 4.49Å; F436-F440 VanDerWaalsContact O-CB 3.3Å; F436-F440 WeakPolarHBondContact O-CB 3.38Å; F436-F440 PolarHBondContact O-N 3.14Å; F437-F440 HydrophobicContact CD2-CD1 4.46Å; F437-F440 PolarHBondContact O-N 3.49Å; I438-F440 VanDerWaalsContact C-N 3.33Å; I438-F440 PolarHBondContact O-N 3.29Å; F440-T443 PolarHBondContact O-N 3.42Å; F440-L444 WeakPolarHBondContact O-CB 3.44Å; F440-L444 PolarHBondContact O-N 3.23Å
441I84.2Confident78.8Confident61 Ų6193.6 Ų93.631%0.31350%0.504SS..Hα-helixtrans-66.5-43.8177.6-68.3-63.1000111.3F437 I438 T443 L444 C445F437-I441 HydrophobicContact CD1-CG1 3.77Å; F437-I441 HydrophobicContact CD2-CG1 4.37Å; F437-I441 HydrophobicContact CE1-CD1 3.95Å; F437-I441 HydrophobicContact CE1-CG1 3.44Å; F437-I441 VanDerWaalsContact CE1-CG1 3.44Å; F437-I441 HydrophobicContact CE2-CD1 4.08Å; F437-I441 HydrophobicContact CE2-CG1 4.08Å; F437-I441 HydrophobicContact CG-CG1 4.24Å; F437-I441 HydrophobicContact CZ-CD1 3.62Å; F437-I441 HydrophobicContact CZ-CG1 3.61Å; F437-I441 VanDerWaalsContact O-CB 3.3Å; F437-I441 WeakPolarHBondContact O-CB 3.28Å; F437-I441 WeakPolarHBondContact O-CG1 3.46Å; F437-I441 PolarHBondContact O-N 3.39Å; I438-I441 PolarHBondContact O-N 2.78Å; I441-T443 VanDerWaalsContact C-N 3.26Å; I441-T443 PolarHBondContact O-N 3.24Å; I441-L444 PolarHBondContact O-N 3.19Å; I441-C445 WeakPolarHBondContact O-CB 3.46Å; I441-C445 PolarHBondContact O-N 2.8Å; I441-C445 PolarHBondContact O-SG 3.34Å
442A82.2Confident80Confident49 Ų4990.9 Ų90.941%0.40550%0.5SS..Hα-helixtrans-59.4-40.6176.200000111.3I438 S446I438-A442 WeakPolarHBondContact O-CB 3.43Å; I438-A442 PolarHBondContact O-N 3Å; A442-S446 VanDerWaalsContact O-CB 3.29Å; A442-S446 WeakPolarHBondContact O-CB 3.41Å; A442-S446 PolarHBondContact O-N 2.68Å; A442-S446 PolarHBondContact O-OG 3.43Å
443T88.7Confident81.3Confident81 Ų8189.4 Ų89.450%0.49750%0.502SS..Hα-helixtrans-65.5-48.3175-56.20000110.9L439 F440 I441 C445 S446 L447L439-T443 VanDerWaalsContact O-CB 3.28Å; L439-T443 WeakPolarHBondContact O-CB 3.23Å; L439-T443 PolarHBondContact O-N 2.94Å; L439-T443 PolarHBondContact O-OG1 3.48Å; F440-T443 PolarHBondContact O-N 3.42Å; I441-T443 VanDerWaalsContact C-N 3.26Å; I441-T443 PolarHBondContact O-N 3.24Å; T443-C445 PolarHBondContact O-N 3.44Å; T443-S446 PolarHBondContact O-N 3.49Å; T443-L447 HydrophobicContact CG2-CD1 4.03Å; T443-L447 HydrophobicContact CG2-CG 4.41Å; T443-L447 WeakPolarHBondContact O-CB 3.22Å; T443-L447 VanDerWaalsContact O-CG 3.28Å; T443-L447 WeakPolarHBondContact O-CG 3.31Å; T443-L447 PolarHBondContact O-N 3.28Å
444L86.8Confident82.6Confident83 Ų8386.2 Ų86.244%0.43548%0.484SS..Hα-helixtrans-60.3-45.1178.6-174.668.3000112.2F440 I441 L447 T448F440-L444 WeakPolarHBondContact O-CB 3.44Å; F440-L444 PolarHBondContact O-N 3.23Å; I441-L444 PolarHBondContact O-N 3.19Å; L444-L447 PolarHBondContact O-N 3.01Å; L444-T448 WeakPolarHBondContact O-CB 3.38Å; L444-T448 PolarHBondContact O-N 3.47Å; L444-T448 PolarHBondContact O-OG1 2.92Å
445C87.2Confident83.9Confident75 Ų7585.7 Ų85.751%0.50748%0.482SS..Hα-helixtrans-63-43.8176.4-72.30000111.4I441 T443 T448 A449I441-C445 WeakPolarHBondContact O-CB 3.46Å; I441-C445 PolarHBondContact O-N 2.8Å; I441-C445 PolarHBondContact O-SG 3.34Å; T443-C445 PolarHBondContact O-N 3.44Å; C445-T448 PolarHBondContact O-N 3.42Å; C445-A449 WeakPolarHBondContact O-CB 3.49Å; C445-A449 PolarHBondContact O-N 3.01Å
446S89.6Confident84.7Confident69 Ų6989.9 Ų89.948%0.48350%0.495SS..Hα-helixtrans-62.8-44.2177.2-59.30000111.5A442 T443 A449 I450A442-S446 VanDerWaalsContact O-CB 3.29Å; A442-S446 WeakPolarHBondContact O-CB 3.41Å; A442-S446 PolarHBondContact O-N 2.68Å; A442-S446 PolarHBondContact O-OG 3.43Å; T443-S446 PolarHBondContact O-N 3.49Å; S446-A449 PolarHBondContact O-N 2.86Å; S446-I450 WeakPolarHBondContact O-CD1 3.29Å; S446-I450 VanDerWaalsContact O-CG1 3.25Å; S446-I450 WeakPolarHBondContact O-CG1 3.11Å; S446-I450 PolarHBondContact O-N 3.1Å
447L91.8Very high85.3Confident94 Ų9486 Ų8649%0.49248%0.484SS..Hα-helixtrans-63.4-41.7175.5-70.8173.6000112T443 L444 I450 L451T443-L447 HydrophobicContact CG2-CD1 4.03Å; T443-L447 HydrophobicContact CG2-CG 4.41Å; T443-L447 WeakPolarHBondContact O-CB 3.22Å; T443-L447 VanDerWaalsContact O-CG 3.28Å; T443-L447 WeakPolarHBondContact O-CG 3.31Å; T443-L447 PolarHBondContact O-N 3.28Å; L444-L447 PolarHBondContact O-N 3.01Å; L447-I450 PolarHBondContact O-N 2.92Å; L447-L451 WeakPolarHBondContact O-CB 3.44Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 2.9Å
448T88.4Confident86.2Confident72 Ų7285.1 Ų85.144%0.44248%0.477SS..Hα-helixtrans-64.7-40.9177.7-54.70000111.5L444 C445 L451 T452L444-T448 WeakPolarHBondContact O-CB 3.38Å; L444-T448 PolarHBondContact O-N 3.47Å; L444-T448 PolarHBondContact O-OG1 2.92Å; C445-T448 PolarHBondContact O-N 3.42Å; T448-L451 PolarHBondContact O-N 3.28Å; T448-T452 WeakPolarHBondContact O-CB 3.15Å; T448-T452 PolarHBondContact O-N 2.89Å; T448-T452 PolarHBondContact O-OG1 3.15Å
449A85.2Confident86.8Confident61 Ų6184.6 Ų84.650%0.50448%0.48SS..Hα-helixtrans-63-43.517500000111.5C445 S446 T452 C453C445-A449 WeakPolarHBondContact O-CB 3.49Å; C445-A449 PolarHBondContact O-N 3.01Å; S446-A449 PolarHBondContact O-N 2.86Å; A449-T452 PolarHBondContact O-N 3.09Å; A449-C453 WeakPolarHBondContact O-CB 3.48Å; A449-C453 PolarHBondContact O-N 3.09Å
450I90.8Very high87.2Confident96 Ų9688.1 Ų88.149%0.49249%0.494SS..Hα-helixtrans-61.2-48.3175.4-68.1164.2000110.6S446 L447 T452 C453 L454S446-I450 WeakPolarHBondContact O-CD1 3.29Å; S446-I450 VanDerWaalsContact O-CG1 3.25Å; S446-I450 WeakPolarHBondContact O-CG1 3.11Å; S446-I450 PolarHBondContact O-N 3.1Å; L447-I450 PolarHBondContact O-N 2.92Å; I450-T452 VanDerWaalsContact C-N 3.29Å; I450-T452 PolarHBondContact O-N 3.45Å; I450-C453 WeakPolarHBondContact O-CB 3.44Å; I450-C453 PolarHBondContact O-N 3.48Å; I450-L454 HydrophobicContact CG2-CD1 3.93Å; I450-L454 HydrophobicContact CG2-CG 4.34Å; I450-L454 WeakPolarHBondContact O-CG 3.23Å; I450-L454 PolarHBondContact O-N 3.05Å
451L87.9Confident87.5Confident90 Ų9089.6 Ų89.647%0.47150%0.502SS..Hα-helixtrans-59.6-39.7177.6-75.9169.2000112.3L447 T448 L454 T455 M462L447-L451 WeakPolarHBondContact O-CB 3.44Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 2.9Å; T448-L451 PolarHBondContact O-N 3.28Å; L451-L454 PolarHBondContact O-N 3.42Å; L451-T455 WeakPolarHBondContact O-CB 3.43Å; L451-T455 PolarHBondContact O-N 2.56Å; L451-T455 PolarHBondContact O-OG1 3.29Å; L451-M462 HydrophobicContact CD2-CE 3.81Å
452T85.1Confident87.7Confident89 Ų8988 Ų8855%0.54649%0.493SS..Hα-helixtrans-65.1-45176.9-56.20000111T448 A449 I450 T455 H456T448-T452 WeakPolarHBondContact O-CB 3.15Å; T448-T452 PolarHBondContact O-N 2.89Å; T448-T452 PolarHBondContact O-OG1 3.15Å; A449-T452 PolarHBondContact O-N 3.09Å; I450-T452 VanDerWaalsContact C-N 3.29Å; I450-T452 PolarHBondContact O-N 3.45Å; T452-T455 PolarHBondContact O-N 2.89Å; T452-H456 WeakPolarHBondContact O-CB 3.46Å; T452-H456 PolarHBondContact O-N 3.21Å
453C85.7Confident87.9Confident76 Ų7687.5 Ų87.551%0.51449%0.494SS..Hα-helixtrans-60.6-46.4175.4-170.80000111.5A449 I450 T455 H456 V457A449-C453 WeakPolarHBondContact O-CB 3.48Å; A449-C453 PolarHBondContact O-N 3.09Å; I450-C453 WeakPolarHBondContact O-CB 3.44Å; I450-C453 PolarHBondContact O-N 3.48Å; C453-T455 VanDerWaalsContact C-N 3.33Å; C453-T455 PolarHBondContact O-N 3.07Å; C453-H456 PolarHBondContact O-N 3.16Å; C453-V457 WeakPolarHBondContact O-CG2 3.03Å; C453-V457 PolarHBondContact O-N 3.47Å
454L87.8Confident87.9Confident67 Ų6786.6 Ų86.635%0.35149%0.491SS..Hα-helixtrans-62.2-39.8176.8-70.7173.8000112.2I450 L451 H456 V457 Y458 M462I450-L454 HydrophobicContact CG2-CD1 3.93Å; I450-L454 HydrophobicContact CG2-CG 4.34Å; I450-L454 WeakPolarHBondContact O-CG 3.23Å; I450-L454 PolarHBondContact O-N 3.05Å; L451-L454 PolarHBondContact O-N 3.42Å; L454-H456 VanDerWaalsContact C-N 3.31Å; L454-H456 PolarHBondContact O-N 3.39Å; L454-V457 PolarHBondContact O-N 3.14Å; L454-Y458 HydrophobicContact CD2-CD2 4.27Å; L454-Y458 HydrophobicContact CD2-CE2 4.48Å; L454-Y458 WeakPolarHBondContact O-CA 3.42Å; L454-Y458 PolarHBondContact O-N 3.33Å; L454-M462 HydrophobicContact CB-CE 4.25Å; L454-M462 HydrophobicContact CB-CG 4.12Å; L454-M462 HydrophobicContact CB-SD 3.91Å; L454-M462 WeakPolarHBondContact O-CG 3.42Å
455T86.6Confident88Confident69 Ų6986.9 Ų86.942%0.42349%0.492SS..Hα-helixtrans-67.1-35.5177.7-54.30000111.6L451 T452 C453 P459 M462L451-T455 WeakPolarHBondContact O-CB 3.43Å; L451-T455 PolarHBondContact O-N 2.56Å; L451-T455 PolarHBondContact O-OG1 3.29Å; T452-T455 PolarHBondContact O-N 2.89Å; C453-T455 VanDerWaalsContact C-N 3.33Å; C453-T455 PolarHBondContact O-N 3.07Å; T455-P459 VanDerWaalsContact O-CA 3.3Å; T455-P459 WeakPolarHBondContact O-CA 3.38Å; T455-M462 HydrophobicContact CG2-CB 4.41Å
456H83.5Confident88Confident162 Ų16286.4 Ų86.475%0.7549%0.49SS*.Hα-helixtrans-69.8-42.5175.7-178.7-86.5000112.5T452 C453 L454T452-H456 WeakPolarHBondContact O-CB 3.46Å; T452-H456 PolarHBondContact O-N 3.21Å; C453-H456 PolarHBondContact O-N 3.16Å; L454-H456 VanDerWaalsContact C-N 3.31Å; L454-H456 PolarHBondContact O-N 3.39Å
457V89.1Confident87.9Confident78 Ų7886.1 Ų86.147%0.47349%0.487SS..Hα-helixtrans-79.7-36.5-177.8-179.20000112C453 L454C453-V457 WeakPolarHBondContact O-CG2 3.03Å; C453-V457 PolarHBondContact O-N 3.47Å; L454-V457 PolarHBondContact O-N 3.14Å
458Y90.5Very high87.8Confident118 Ų11888.3 Ų88.346%0.46349%0.493SS..  trans-129.364.4-174.1-55.4-73.8000112.2L454 E460 Q461 M462L454-Y458 HydrophobicContact CD2-CD2 4.27Å; L454-Y458 HydrophobicContact CD2-CE2 4.48Å; L454-Y458 WeakPolarHBondContact O-CA 3.42Å; L454-Y458 PolarHBondContact O-N 3.33Å; Y458-E460 PolarHBondContact O-N 3.04Å; Y458-Q461 PolarHBondContact O-N 2.96Å; Y458-M462 WeakPolarHBondContact O-CB 3.25Å; Y458-M462 WeakPolarHBondContact O-CG 3.47Å; Y458-M462 PolarHBondContact O-N 3.05Å
459P88.6Confident87.8Confident83 Ų8388.8 Ų88.854%0.53950%0.496SS..Hα-helixtrans-61.4-40-171.723.4-33.9000113.4T455 G463T455-P459 VanDerWaalsContact O-CA 3.3Å; T455-P459 WeakPolarHBondContact O-CA 3.38Å; P459-G463 PolarHBondContact O-N 3.48Å
460E89Confident88Confident176 Ų17690 Ų9082%0.82249%0.494SS*.Hα-helixtrans-68.9-44.7-178.3-63.9-175.317200112.5Y458 G463 S464Y458-E460 PolarHBondContact O-N 3.04Å; E460-G463 PolarHBondContact O-N 3.46Å; E460-S464 PolarHBondContact O-N 2.88Å
461Q89.3Confident87.8Confident132 Ų13290.2 Ų90.262%0.61750%0.495SS*.Hα-helixtrans-66.6-42.8179.4-64.6172.9-100110.8Y458 S464 L465Y458-Q461 PolarHBondContact O-N 2.96Å; Q461-S464 PolarHBondContact O-N 3.46Å; Q461-L465 WeakPolarHBondContact O-CB 3.48Å; Q461-L465 PolarHBondContact O-N 3.2Å
462M87.8Confident87.8Confident27 Ų2796.1 Ų96.113%0.13351%0.512CS..Hα-helixtrans-68.6-34.7177-70.5-58.2-63.100112.3L451 L454 T455 Y458 L465 S466L451-M462 HydrophobicContact CD2-CE 3.81Å; L454-M462 HydrophobicContact CB-CE 4.25Å; L454-M462 HydrophobicContact CB-CG 4.12Å; L454-M462 HydrophobicContact CB-SD 3.91Å; L454-M462 WeakPolarHBondContact O-CG 3.42Å; T455-M462 HydrophobicContact CG2-CB 4.41Å; Y458-M462 WeakPolarHBondContact O-CB 3.25Å; Y458-M462 WeakPolarHBondContact O-CG 3.47Å; Y458-M462 PolarHBondContact O-N 3.05Å; M462-L465 HydrophobicContact CE-CD2 4.19Å; M462-L465 PolarHBondContact O-N 3.4Å; M462-L465 HydrophobicContact SD-CD2 3.98Å; M462-S466 VanDerWaalsContact O-CB 3.27Å; M462-S466 WeakPolarHBondContact O-CB 3.38Å; M462-S466 PolarHBondContact O-N 3.3Å
463G85.7Confident87.8Confident40 Ų4099.1 Ų99.141%0.41252%0.517SS..Hα-helixtrans-62.2-46171.100000112.3P459 E460 S466 S467P459-G463 PolarHBondContact O-N 3.48Å; E460-G463 PolarHBondContact O-N 3.46Å; G463-S466 PolarHBondContact O-N 2.67Å; G463-S467 PolarHBondContact O-N 3.44Å
464S88.9Confident88Confident62 Ų6299.9 Ų99.943%0.43451%0.512SS..Hα-helixtrans-62.7-43.9175-173.10000112E460 Q461 S467 K468E460-S464 PolarHBondContact O-N 2.88Å; Q461-S464 PolarHBondContact O-N 3.46Å; S464-S467 PolarHBondContact O-N 3.29Å; S464-K468 WeakPolarHBondContact O-CG 3.46Å; S464-K468 PolarHBondContact O-N 3.29Å
465L89Confident88Confident89 Ų8999.6 Ų99.647%0.46652%0.516SS..Hα-helixtrans-61.3-46.1176.5-17864.8000111.2Q461 M462 S467 K468 T469Q461-L465 WeakPolarHBondContact O-CB 3.48Å; Q461-L465 PolarHBondContact O-N 3.2Å; M462-L465 HydrophobicContact CE-CD2 4.19Å; M462-L465 PolarHBondContact O-N 3.4Å; M462-L465 HydrophobicContact SD-CD2 3.98Å; L465-S467 PolarHBondContact O-N 2.95Å; L465-K468 PolarHBondContact O-N 3.1Å; L465-T469 WeakPolarHBondContact O-CB 2.92Å; L465-T469 PolarHBondContact O-N 3.11Å; L465-T469 PolarHBondContact O-OG1 3.05Å
466S87.6Confident88Confident65 Ų65100.1 Ų100.146%0.45552%0.52SS..Hα-helixtrans-60.3-46.6178.1179.40000111.8M462 G463 K468 T469 L470M462-S466 VanDerWaalsContact O-CB 3.27Å; M462-S466 WeakPolarHBondContact O-CB 3.38Å; M462-S466 PolarHBondContact O-N 3.3Å; G463-S466 PolarHBondContact O-N 2.67Å; S466-K468 PolarHBondContact O-N 3.43Å; S466-T469 PolarHBondContact O-N 3.42Å; S466-L470 WeakPolarHBondContact O-CB 3.22Å; S466-L470 WeakPolarHBondContact O-CG 3.24Å; S466-L470 PolarHBondContact O-N 2.86Å
467S87.3Confident88.2Confident62 Ų6296.4 Ų96.443%0.43451%0.505SS..Hα-helixtrans-61.3-44177.1-179.10000111.8G463 S464 L465 L470 N471G463-S467 PolarHBondContact O-N 3.44Å; S464-S467 PolarHBondContact O-N 3.29Å; L465-S467 PolarHBondContact O-N 2.95Å; S467-L470 PolarHBondContact O-N 3.39Å; S467-N471 WeakPolarHBondContact O-CB 3.44Å; S467-N471 PolarHBondContact O-N 2.85Å; S467-N471 PolarHBondContact O-ND2 2.89Å
468K90.8Very high88.1Confident141 Ų14196.3 Ų96.361%0.61350%0.502SS*.Hα-helixtrans-61.6-45.7175.3-74.1177.1-176.1178.40112S464 L465 S466 N471 W472S464-K468 WeakPolarHBondContact O-CG 3.46Å; S464-K468 PolarHBondContact O-N 3.29Å; L465-K468 PolarHBondContact O-N 3.1Å; S466-K468 PolarHBondContact O-N 3.43Å; K468-N471 PolarHBondContact O-N 3.27Å; K468-W472 WeakPolarHBondContact O-CB 3.29Å; K468-W472 PolarHBondContact O-N 3.21Å
469T87.8Confident87.9Confident81 Ų8197 Ų9750%0.49751%0.505SS..Hα-helixtrans-64.1-43.2179.7-58.90000111.6L465 S466 W472 F473L465-T469 WeakPolarHBondContact O-CB 2.92Å; L465-T469 PolarHBondContact O-N 3.11Å; L465-T469 PolarHBondContact O-OG1 3.05Å; S466-T469 PolarHBondContact O-N 3.42Å; T469-W472 PolarHBondContact O-N 3.16Å; T469-F473 WeakPolarHBondContact O-CB 3.35Å; T469-F473 PolarHBondContact O-N 3.21Å
470L88.2Confident87.8Confident88 Ų8898.3 Ų98.346%0.46151%0.506SS..Hα-helixtrans-62.5-47.4174.6-76.5165.6000111.1S466 S467 W472 F473 F474S466-L470 WeakPolarHBondContact O-CB 3.22Å; S466-L470 WeakPolarHBondContact O-CG 3.24Å; S466-L470 PolarHBondContact O-N 2.86Å; S467-L470 PolarHBondContact O-N 3.39Å; L470-W472 PolarHBondContact O-N 2.86Å; L470-F473 PolarHBondContact O-N 3.47Å; L470-F473 VanDerWaalsContact O-N 3.15Å; L470-F474 HydrophobicContact CD2-CE2 3.93Å; L470-F474 WeakPolarHBondContact O-CD2 3.45Å; L470-F474 PolarHBondContact O-N 2.9Å
471N88Confident87.6Confident99 Ų9994.4 Ų94.453%0.52949%0.491SS..Hα-helixtrans-59.7-38.1177-72.1-17.6000111.9S467 K468 S475S467-N471 WeakPolarHBondContact O-CB 3.44Å; S467-N471 PolarHBondContact O-N 2.85Å; S467-N471 PolarHBondContact O-ND2 2.89Å; K468-N471 PolarHBondContact O-N 3.27Å; N471-S475 WeakPolarHBondContact O-CA 3.47Å; N471-S475 VanDerWaalsContact O-CB 3.3Å; N471-S475 WeakPolarHBondContact O-CB 3.28Å; N471-S475 PolarHBondContact O-N 2.94Å
472W88.1Confident87.4Confident215 Ų21594.3 Ų94.381%0.81449%0.49SS*.Hα-helixtrans-68.4-42176.4-157.257.5000111.8K468 T469 L470 F474 S475 P476K468-W472 WeakPolarHBondContact O-CB 3.29Å; K468-W472 PolarHBondContact O-N 3.21Å; T469-W472 PolarHBondContact O-N 3.16Å; L470-W472 PolarHBondContact O-N 2.86Å; W472-F474 PolarHBondContact O-N 3.39Å; W472-S475 WeakPolarHBondContact O-CB 3.22Å; W472-S475 PolarHBondContact O-N 2.85Å; W472-P476 WeakPolarHBondContact O-CD 3.37Å
473F85.6Confident87.3Confident152 Ų15298.8 Ų98.867%0.66751%0.509SS*.Hα-helixtrans-64.7-38.7177-167-94.4000112.5T469 L470 P476T469-F473 WeakPolarHBondContact O-CB 3.35Å; T469-F473 PolarHBondContact O-N 3.21Å; L470-F473 PolarHBondContact O-N 3.47Å; L470-F473 VanDerWaalsContact O-N 3.15Å; F473-P476 WeakPolarHBondContact O-CD 3.44Å
474F89.2Confident87.2Confident92 Ų92101.8 Ų101.840%0.40452%0.515SS..Hα-helixtrans-86.1-9176.5-71.4-70.6000113.7L470 W472 P476 I477 N478L470-F474 HydrophobicContact CD2-CE2 3.93Å; L470-F474 WeakPolarHBondContact O-CD2 3.45Å; L470-F474 PolarHBondContact O-N 2.9Å; W472-F474 PolarHBondContact O-N 3.39Å; F474-P476 VanDerWaalsContact C-CD 3.48Å; F474-I477 HydrophobicContact CD1-CD1 3.91Å; F474-I477 HydrophobicContact CE1-CD1 4.35Å; F474-I477 WeakPolarHBondContact O-CB 3.37Å; F474-I477 PolarHBondContact O-N 3.06Å; F474-N478 PolarHBondContact O-N 3.44Å
475S87.7Confident87Confident61 Ų61104.9 Ų104.943%0.42752%0.523SS..Hα-helixtrans-55.6-41.4-178.7-178.30000113.7N471 W472 I477 N478 Y479N471-S475 WeakPolarHBondContact O-CA 3.47Å; N471-S475 VanDerWaalsContact O-CB 3.3Å; N471-S475 WeakPolarHBondContact O-CB 3.28Å; N471-S475 PolarHBondContact O-N 2.94Å; W472-S475 WeakPolarHBondContact O-CB 3.22Å; W472-S475 PolarHBondContact O-N 2.85Å; S475-I477 VanDerWaalsContact C-N 3.34Å; S475-N478 PolarHBondContact O-N 2.73Å; S475-Y479 WeakPolarHBondContact O-CB 3.37Å; S475-Y479 PolarHBondContact O-N 2.82Å
476P87.2Confident86.5Confident79 Ų79102.3 Ų102.351%0.51352%0.518SS..Hα-helixtrans-65.8-37.5176.1-20.132.9000112.4W472 F473 F474 Y479 L480W472-P476 WeakPolarHBondContact O-CD 3.37Å; F473-P476 WeakPolarHBondContact O-CD 3.44Å; F474-P476 VanDerWaalsContact C-CD 3.48Å; P476-Y479 PolarHBondContact O-N 3.04Å; P476-L480 WeakPolarHBondContact O-CG 3Å; P476-L480 PolarHBondContact O-N 3.44Å
477I87.1Confident86.2Confident84 Ų84104 Ų10443%0.43152%0.521SS..Hα-helixtrans-67.4-45177.6-65.3168.2000109.8F474 S475 Y479 L480 L481F474-I477 HydrophobicContact CD1-CD1 3.91Å; F474-I477 HydrophobicContact CE1-CD1 4.35Å; F474-I477 WeakPolarHBondContact O-CB 3.37Å; F474-I477 PolarHBondContact O-N 3.06Å; S475-I477 VanDerWaalsContact C-N 3.34Å; I477-Y479 VanDerWaalsContact C-N 3.34Å; I477-Y479 PolarHBondContact O-N 3.25Å; I477-L480 PolarHBondContact O-N 3.19Å; I477-L481 HydrophobicContact CG2-CD1 4.12Å; I477-L481 WeakPolarHBondContact O-CG 3.29Å; I477-L481 PolarHBondContact O-N 3.46Å
478N86.2Confident85.8Confident77 Ų77106.5 Ų106.541%0.41253%0.529SS..Hα-helixtrans-62.2-41.4176.4-69-20.4000111.7F474 S475 L480 L481 E482F474-N478 PolarHBondContact O-N 3.44Å; S475-N478 PolarHBondContact O-N 2.73Å; N478-L480 PolarHBondContact O-N 2.97Å; N478-L481 WeakPolarHBondContact O-CB 3.46Å; N478-L481 PolarHBondContact O-N 3.46Å; N478-E482 WeakPolarHBondContact O-CG 3.48Å; N478-E482 PolarHBondContact O-N 3.5Å
479Y86Confident85Confident132 Ų132103.8 Ų103.852%0.51852%0.521SS..Hα-helixtrans-63.5-40.7175.6178.3-101.3000112.5S475 P476 I477 L481 E482 K483S475-Y479 WeakPolarHBondContact O-CB 3.37Å; S475-Y479 PolarHBondContact O-N 2.82Å; P476-Y479 PolarHBondContact O-N 3.04Å; I477-Y479 VanDerWaalsContact C-N 3.34Å; I477-Y479 PolarHBondContact O-N 3.25Å; Y479-L481 VanDerWaalsContact C-N 3.34Å; Y479-E482 PolarHBondContact O-N 3.4Å; Y479-K483 HydrophobicContact CD1-CG 4.42Å; Y479-K483 HydrophobicContact CE1-CG 4.01Å; Y479-K483 HydrophobicContact CE2-CG 4.35Å; Y479-K483 VanDerWaalsContact CZ-CE 3.41Å; Y479-K483 WeakPolarHBondContact O-CB 3.22Å; Y479-K483 WeakPolarHBondContact O-CG 3.42Å; Y479-K483 PolarHBondContact O-N 3.05Å; Y479-K483 WeakPolarHBondContact OH-CE 3.45Å
480L86.4Confident84.2Confident110 Ų110105.6 Ų105.658%0.57653%0.527SS*.Hα-helixtrans-64-40.1174.2-74.7169.1000111.6P476 I477 N478 K483 L484P476-L480 WeakPolarHBondContact O-CG 3Å; P476-L480 PolarHBondContact O-N 3.44Å; I477-L480 PolarHBondContact O-N 3.19Å; N478-L480 PolarHBondContact O-N 2.97Å; L480-K483 PolarHBondContact O-N 3.19Å; L480-L484 WeakPolarHBondContact O-CB 3.21Å; L480-L484 PolarHBondContact O-N 3.16Å
481L85.4Confident83.5Confident95 Ų95107.4 Ų107.450%0.49754%0.536SS..Hα-helixtrans-63.2-45.7174.8-72.5168.9000111.8I477 N478 Y479 K483 L484 E485I477-L481 HydrophobicContact CG2-CD1 4.12Å; I477-L481 WeakPolarHBondContact O-CG 3.29Å; I477-L481 PolarHBondContact O-N 3.46Å; N478-L481 WeakPolarHBondContact O-CB 3.46Å; N478-L481 PolarHBondContact O-N 3.46Å; Y479-L481 VanDerWaalsContact C-N 3.34Å; L481-K483 VanDerWaalsContact C-N 3.33Å; L481-K483 PolarHBondContact O-N 3.34Å; L481-L484 WeakPolarHBondContact O-CB 3.28Å; L481-L484 PolarHBondContact O-N 3.07Å; L481-E485 PolarHBondContact O-N 3.42Å
482E86.5Confident82.4Confident130 Ų130103.8 Ų103.861%0.60752%0.52SS*.Hα-helixtrans-62.1-39175.8-76.4178.6-177.700112.2N478 Y479 E485 G486N478-E482 WeakPolarHBondContact O-CG 3.48Å; N478-E482 PolarHBondContact O-N 3.5Å; Y479-E482 PolarHBondContact O-N 3.4Å; E482-E485 PolarHBondContact O-N 3.08Å; E482-G486 PolarHBondContact O-N 3.11Å
483K85.6Confident81.4Confident121 Ų12197.8 Ų97.853%0.52651%0.509SS..Hα-helixtrans-67.3-38.1174.6-75.5-67.1-175.8-173.70112.1Y479 L480 L481 G486 L487Y479-K483 HydrophobicContact CD1-CG 4.42Å; Y479-K483 HydrophobicContact CE1-CG 4.01Å; Y479-K483 HydrophobicContact CE2-CG 4.35Å; Y479-K483 VanDerWaalsContact CZ-CE 3.41Å; Y479-K483 WeakPolarHBondContact O-CB 3.22Å; Y479-K483 WeakPolarHBondContact O-CG 3.42Å; Y479-K483 PolarHBondContact O-N 3.05Å; Y479-K483 WeakPolarHBondContact OH-CE 3.45Å; L480-K483 PolarHBondContact O-N 3.19Å; L481-K483 VanDerWaalsContact C-N 3.33Å; L481-K483 PolarHBondContact O-N 3.34Å; K483-G486 PolarHBondContact O-N 3.4Å; K483-L487 WeakPolarHBondContact O-CB 3.21Å; K483-L487 PolarHBondContact O-N 3.38Å
484L83.6Confident80.3Confident103 Ų10396.2 Ų96.254%0.53951%0.512SS..Hα-helixtrans-63.4-45.2173.2-93.8160.8000111.5L480 L481 L487 L488L480-L484 WeakPolarHBondContact O-CB 3.21Å; L480-L484 PolarHBondContact O-N 3.16Å; L481-L484 WeakPolarHBondContact O-CB 3.28Å; L481-L484 PolarHBondContact O-N 3.07Å; L484-L487 PolarHBondContact O-N 2.87Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 WeakPolarHBondContact O-CG 3.47Å; L484-L488 PolarHBondContact O-N 3.41Å
485E83.1Confident79Confident126 Ų12696.2 Ų96.259%0.58952%0.523SS*.Hα-helixtrans-60.7-45.1173.1-76.8-174.9166.900111.8L481 E482 L487 L488 L489L481-E485 PolarHBondContact O-N 3.42Å; E482-E485 PolarHBondContact O-N 3.08Å; E485-L487 VanDerWaalsContact C-N 3.32Å; E485-L487 PolarHBondContact O-N 3.01Å; E485-L488 WeakPolarHBondContact O-CB 3.46Å; E485-L488 PolarHBondContact O-N 3.46Å; E485-L489 WeakPolarHBondContact O-CG 3.31Å; E485-L489 PolarHBondContact O-N 2.71Å
486G80.1Confident77.5Confident35 Ų3594.8 Ų94.836%0.36152%0.515SS..Hα-helixtrans-61-39.3175.900000112.8E482 K483 L489 L490E482-G486 PolarHBondContact O-N 3.11Å; K483-G486 PolarHBondContact O-N 3.4Å; G486-L489 PolarHBondContact O-N 3.45Å; G486-L490 WeakPolarHBondContact O-CB 3.19Å; G486-L490 PolarHBondContact O-N 3.28Å
487L79.8Confident75.9Confident101 Ų10196.8 Ų96.853%0.52951%0.513SS..Hα-helixtrans-68.1-41.6175.2-162.1105.2000111.4K483 L484 E485 L490 L491K483-L487 WeakPolarHBondContact O-CB 3.21Å; K483-L487 PolarHBondContact O-N 3.38Å; L484-L487 PolarHBondContact O-N 2.87Å; E485-L487 VanDerWaalsContact C-N 3.32Å; E485-L487 PolarHBondContact O-N 3.01Å; L487-L490 WeakPolarHBondContact O-CB 3.45Å; L487-L490 PolarHBondContact O-N 3.09Å; L487-L490 VanDerWaalsContact O-N 3.13Å; L487-L491 HydrophobicContact CD2-CD1 3.87Å; L487-L491 HydrophobicContact CG-CD1 4.28Å; L487-L491 WeakPolarHBondContact O-CB 3.2Å; L487-L491 WeakPolarHBondContact O-CG 3.38Å; L487-L491 PolarHBondContact O-N 3.38Å
488L78.7Confident74.4Confident114 Ų114101.5 Ų101.560%0.59753%0.53SS*.Hα-helixtrans-60.7-42.8174.6-78166.1000111.6L484 E485 L490 L491 A492L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 WeakPolarHBondContact O-CG 3.47Å; L484-L488 PolarHBondContact O-N 3.41Å; E485-L488 WeakPolarHBondContact O-CB 3.46Å; E485-L488 PolarHBondContact O-N 3.46Å; L488-L490 VanDerWaalsContact C-N 3.3Å; L488-L490 PolarHBondContact O-N 2.89Å; L488-L491 PolarHBondContact O-N 3.42Å; L488-A492 WeakPolarHBondContact O-CB 3.32Å; L488-A492 PolarHBondContact O-N 3.47Å
489L75Confident73Confident84 Ų84105 Ų10544%0.4455%0.548SS..Hα-helixtrans-65.2-33173.1-72.2169.9000112.7E485 G486 A492 R497 L500E485-L489 WeakPolarHBondContact O-CG 3.31Å; E485-L489 PolarHBondContact O-N 2.71Å; G486-L489 PolarHBondContact O-N 3.45Å; L489-A492 PolarHBondContact O-N 3.4Å; L489-R497 PolarHBondContact O-NE 2.93Å; L489-L500 HydrophobicContact CD2-CD1 3.58Å
490L71.2Confident71.4Confident120 Ų120104.7 Ų104.763%0.62856%0.555SS**Hα-helixtrans-72.4-36.4177.9-150.3122.5000111.5G486 L487 L488 R497G486-L490 WeakPolarHBondContact O-CB 3.19Å; G486-L490 PolarHBondContact O-N 3.28Å; L487-L490 WeakPolarHBondContact O-CB 3.45Å; L487-L490 PolarHBondContact O-N 3.09Å; L487-L490 VanDerWaalsContact O-N 3.13Å; L488-L490 VanDerWaalsContact C-N 3.3Å; L488-L490 PolarHBondContact O-N 2.89Å; L490-R497 PolarHBondContact O-NH2 2.98Å
491L72.9Confident69.6Low125 Ų125107.5 Ų107.565%0.65458%0.576SS**Hα-helixtrans-79.4-19174.6-68.4169.6000113L487 L488L487-L491 HydrophobicContact CD2-CD1 3.87Å; L487-L491 HydrophobicContact CG-CD1 4.28Å; L487-L491 WeakPolarHBondContact O-CB 3.2Å; L487-L491 WeakPolarHBondContact O-CG 3.38Å; L487-L491 PolarHBondContact O-N 3.38Å; L488-L491 PolarHBondContact O-N 3.42Å
492A64.2Low68.8Low24 Ų24108.1 Ų108.120%0.19858%0.58CS.*SBendtrans-62127.4176.100000109.9L488 L489 A496L488-A492 WeakPolarHBondContact O-CB 3.32Å; L488-A492 PolarHBondContact O-N 3.47Å; L489-A492 PolarHBondContact O-N 3.4Å; A492-A496 HydrophobicContact CB-CB 4.31Å
493P68.2Low67.9Low89 Ų89106.9 Ų106.958%0.57858%0.579SS**  trans-56.1148-178.318-28.4000111.4S495 A496P493-S495 PolarHBondContact O-N 3.03Å; P493-A496 WeakPolarHBondContact O-CB 3.45Å; P493-A496 PolarHBondContact O-N 2.93Å
494T62.4Low66.9Low119 Ų119106.2 Ų106.273%0.7358%0.582SS**THydrogen-bonded Turntrans-55.3-20.3-171.946.70000114.8
495S61.7Low65.9Low91 Ų91106.4 Ų106.464%0.63658%0.584SS**THydrogen-bonded Turntrans-67.8-33.4170.955.30000113.3P493P493-S495 PolarHBondContact O-N 3.03Å
496A56.7Low64.9Low32 Ų32105.1 Ų105.126%0.26458%0.584SS.*THydrogen-bonded Turntrans-80.2-28.8177.400000112.8A492 P493 K498 L499 L500A492-A496 HydrophobicContact CB-CB 4.31Å; P493-A496 WeakPolarHBondContact O-CB 3.45Å; P493-A496 PolarHBondContact O-N 2.93Å; A496-K498 PolarHBondContact O-N 2.77Å; A496-L499 PolarHBondContact O-N 3.43Å; A496-L500 PolarHBondContact O-N 3.41Å
497R52.6Low63.8Low121 Ų121109.8 Ų109.846%0.45760%0.599SS.*THydrogen-bonded Turntrans-62.2-22.5178.3-81-169.5-169172.510.6114.2L489 L490L489-R497 PolarHBondContact O-NE 2.93Å; L490-R497 PolarHBondContact O-NH2 2.98Å
498K56.2Low62.7Low183 Ų183110.4 Ų110.480%0.79660%0.604SS**THydrogen-bonded Turntrans-84.1-9.5173.7-83.4-171.5176.1-176.70114.4A496A496-K498 PolarHBondContact O-N 2.77Å
499L56.8Low61.5Low151 Ų151110.2 Ų110.279%0.79160%0.604SS**THydrogen-bonded Turntrans-101.3-15.5-179.1-105.7151.2000113.1A496A496-L499 PolarHBondContact O-N 3.43Å
500L53Low60.3Low125 Ų125112.3 Ų112.365%0.65462%0.618SS**  trans-104.6-4.2-177.6-74.7161000113.9L489 A496L489-L500 HydrophobicContact CD2-CD1 3.58Å; A496-L500 PolarHBondContact O-N 3.41Å
501T48.1Very low59.3Low168 Ų168111.6 Ų111.6100%1.03162%0.617SS**  trans-101.60161.558.20000108.5

Retrieved 501 of 501 residues in 164.9 ms (Link to these results)

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