A0A5K4FCK6_SCHMA Loading...

EF hand

AlphaFold DB (A0A5K4FBT5), UniProt , Accession A0A5K4FCK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 163 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
1M42.2Very low81.9Confident214 Ų21469.4 Ų69.4100%1.05436%0.357SS*.  0114.30-66-172.985.300105.3
2T57.7Low82.9Confident48 Ų4873.2 Ų73.229%0.29436%0.363SS..  trans-60.2135.4176.6-490000108.9M6 I7 I10T2-M6 HydrophobicContact CG2-CB 3.58Å; T2-I7 HydrophobicContact CG2-CG1 3.88Å; T2-I10 HydrophobicContact CG2-CD1 4.27Å
3D76.3Confident83.8Confident26 Ų2670.2 Ų70.214%0.13935%0.351CS..  trans-69.4146.6-177-59.9-47.5000110.7V5 M6 I7 S70 K73D3-V5 PolarHBondContact O-N 3.13Å; D3-M6 WeakPolarHBondContact O-CA 3.3Å; D3-M6 WeakPolarHBondContact O-CB 3.12Å; D3-M6 PolarHBondContact O-N 3.41Å; D3-I7 PolarHBondContact O-N 2.84Å; D3-S70 VanDerWaalsContact OD2-CA 3.26Å; D3-S70 WeakPolarHBondContact OD2-CA 3.31Å; D3-S70 WeakPolarHBondContact OD2-CB 3.42Å; D3-S70 PolarHBondContact OD2-OG 3.48Å; D3-K73 WeakPolarHBondContact OD1-CE 3.44Å; D3-K73 IonicContact OD1-NZ 2.67Å; D3-K73 PolarHBondContact OD1-NZ 3.01Å
4D82.8Confident84.6Confident144 Ų14466.3 Ų66.377%0.7733%0.331SS*.Hα-helixtrans-52.4-35.5-174-70.2-25.3000112.8I7 D8D4-I7 PolarHBondContact O-N 3.26Å; D4-D8 PolarHBondContact O-N 2.86Å
5V86.1Confident85.4Confident43 Ų4362.5 Ų62.526%0.26131%0.313SS..Hα-helixtrans-66.9-45.3176.4177.10000111.5D3 I7 D8 R9 Y69D3-V5 PolarHBondContact O-N 3.13Å; V5-I7 PolarHBondContact O-N 2.73Å; V5-D8 WeakPolarHBondContact O-CB 3.27Å; V5-D8 PolarHBondContact O-N 3.33Å; V5-R9 HydrophobicContact CG1-CG 4.42Å; V5-R9 VanDerWaalsContact O-CG 3.31Å; V5-R9 WeakPolarHBondContact O-CG 3.46Å; V5-R9 PolarHBondContact O-N 3.28Å; V5-Y69 HydrophobicContact CB-CD2 4.1Å; V5-Y69 HydrophobicContact CB-CG 4.17Å; V5-Y69 HydrophobicContact CG1-CD2 3.77Å; V5-Y69 HydrophobicContact CG1-CE2 4.38Å; V5-Y69 HydrophobicContact CG1-CG 4.34Å; V5-Y69 HydrophobicContact CG2-CD1 3.97Å; V5-Y69 HydrophobicContact CG2-CD2 3.68Å; V5-Y69 HydrophobicContact CG2-CE1 4.48Å; V5-Y69 HydrophobicContact CG2-CE2 4.23Å; V5-Y69 HydrophobicContact CG2-CG 3.55Å
6M90Very high85.6Confident5 Ų562.1 Ų62.13%0.02533%0.329CS..Hα-helixtrans-63.4-35.5177.6-71.1-63.2-64.800111.2T2 D3 R9 I10 V49 Y50 L66 Q124 C125T2-M6 HydrophobicContact CG2-CB 3.58Å; D3-M6 WeakPolarHBondContact O-CA 3.3Å; D3-M6 WeakPolarHBondContact O-CB 3.12Å; D3-M6 PolarHBondContact O-N 3.41Å; M6-R9 PolarHBondContact O-N 3.28Å; M6-I10 WeakPolarHBondContact O-CB 3.3Å; M6-I10 WeakPolarHBondContact O-CD1 3.2Å; M6-I10 WeakPolarHBondContact O-CG1 3.12Å; M6-I10 PolarHBondContact O-N 2.91Å; M6-V49 HydrophobicContact CE-CG1 4.07Å; M6-Y50 HydrophobicContact CE-CE1 4.03Å; M6-L66 HydrophobicContact SD-CD2 4.02Å; M6-Q124 WeakPolarHBondContact CE-O 3.38Å; M6-C125 HydrophobicContact CE-CB 4.34Å; M6-C125 WeakPolarHBondContact CE-SG 3.31Å
7I91.4Very high86Confident88 Ų8863.6 Ų63.645%0.45134%0.337SS..Hα-helixtrans-63.8-45.8173.6-64.9169000111T2 D3 D4 V5 R9 I10 F11T2-I7 HydrophobicContact CG2-CG1 3.88Å; D3-I7 PolarHBondContact O-N 2.84Å; D4-I7 PolarHBondContact O-N 3.26Å; V5-I7 PolarHBondContact O-N 2.73Å; I7-R9 VanDerWaalsContact C-N 3.29Å; I7-R9 PolarHBondContact O-N 3.39Å; I7-I10 PolarHBondContact O-N 3.43Å; I7-F11 WeakPolarHBondContact O-CB 3.43Å; I7-F11 PolarHBondContact O-N 2.96Å
8D91.9Very high86.3Confident73 Ų7368 Ų6839%0.3935%0.353SS..Hα-helixtrans-58.7-42.6174.8-176.279.9000111.3D4 V5 F11 R12D4-D8 PolarHBondContact O-N 2.86Å; V5-D8 WeakPolarHBondContact O-CB 3.27Å; V5-D8 PolarHBondContact O-N 3.33Å; D8-F11 WeakPolarHBondContact O-CB 3.36Å; D8-F11 PolarHBondContact O-N 2.79Å; D8-R12 WeakPolarHBondContact O-CG 3.34Å; D8-R12 PolarHBondContact O-N 2.96Å; D8-R12 IonicContact OD2-CZ 2.71Å; D8-R12 IonicContact OD2-NE 3.55Å; D8-R12 PolarHBondContact OD2-NE 3.45Å; D8-R12 IonicContact OD2-NH2 3.64Å
9R93.2Very high86.7Confident14 Ų1470.1 Ų70.15%0.05337%0.365CS..Hα-helixtrans-65.7-44.1178.2-64.2-44.7-56.9-176.85112.7V5 M6 I7 F11 R12 V13 V49 D51 L52 L66V5-R9 HydrophobicContact CG1-CG 4.42Å; V5-R9 VanDerWaalsContact O-CG 3.31Å; V5-R9 WeakPolarHBondContact O-CG 3.46Å; V5-R9 PolarHBondContact O-N 3.28Å; M6-R9 PolarHBondContact O-N 3.28Å; I7-R9 VanDerWaalsContact C-N 3.29Å; I7-R9 PolarHBondContact O-N 3.39Å; R9-F11 VanDerWaalsContact C-N 3.31Å; R9-F11 PolarHBondContact O-N 3.47Å; R9-R12 PolarHBondContact O-N 3.37Å; R9-V13 WeakPolarHBondContact O-CG2 3.36Å; R9-V13 PolarHBondContact O-N 3.48Å; R9-V49 HydrophobicContact CB-CG1 3.65Å; R9-V49 PolarHBondContact NE-O 2.8Å; R9-V49 VanDerWaalsContact NE-O 3.1Å; R9-D51 PolarHBondContact NH2-O 3.42Å; R9-L52 HydrophobicContact CG-CD2 4.16Å; R9-L52 PolarHBondContact NH1-O 2.96Å; R9-L52 PolarHBondContact NH2-O 3.34Å; R9-L66 HydrophobicContact CG-CD2 4.36Å
10I94.4Very high87.1Confident20 Ų2069.5 Ų69.510%0.10338%0.376CS..Hα-helixtrans-61-42.8174.8-70161.2000110.4T2 M6 I7 R12 V13 F14 F34 F45 V49 C125T2-I10 HydrophobicContact CG2-CD1 4.27Å; M6-I10 WeakPolarHBondContact O-CB 3.3Å; M6-I10 WeakPolarHBondContact O-CD1 3.2Å; M6-I10 WeakPolarHBondContact O-CG1 3.12Å; M6-I10 PolarHBondContact O-N 2.91Å; I7-I10 PolarHBondContact O-N 3.43Å; I10-R12 PolarHBondContact O-N 3.46Å; I10-V13 PolarHBondContact O-N 2.93Å; I10-F14 HydrophobicContact CG2-CD2 4.2Å; I10-F14 HydrophobicContact CG2-CE2 4.07Å; I10-F14 WeakPolarHBondContact O-CD2 3.3Å; I10-F14 PolarHBondContact O-N 2.84Å; I10-F14 VanDerWaalsContact O-N 3.07Å; I10-F34 HydrophobicContact CD1-CE2 4.15Å; I10-F34 HydrophobicContact CD1-CZ 4.41Å; I10-F34 HydrophobicContact CG1-CE2 4.4Å; I10-F34 HydrophobicContact CG2-CD2 4.45Å; I10-F34 HydrophobicContact CG2-CE2 3.76Å; I10-F34 HydrophobicContact CG2-CZ 4.32Å; I10-F45 HydrophobicContact CG2-CZ 4.22Å; I10-V49 HydrophobicContact CG1-CG2 4.29Å; I10-C125 WeakPolarHBondContact CD1-O 3.29Å
11F94.4Very high87.5Confident88 Ų8867.3 Ų67.339%0.38637%0.37SS..Hα-helixtrans-60-45.6177.4-178.2-89.4000111.6I7 D8 R9 V13 F14 D15 V22I7-F11 WeakPolarHBondContact O-CB 3.43Å; I7-F11 PolarHBondContact O-N 2.96Å; D8-F11 WeakPolarHBondContact O-CB 3.36Å; D8-F11 PolarHBondContact O-N 2.79Å; R9-F11 VanDerWaalsContact C-N 3.31Å; R9-F11 PolarHBondContact O-N 3.47Å; F11-V13 VanDerWaalsContact C-N 3.26Å; F11-V13 PolarHBondContact O-N 2.99Å; F11-F14 WeakPolarHBondContact O-CB 3.45Å; F11-F14 PolarHBondContact O-N 2.83Å; F11-D15 HydrophobicContact CE1-CB 4.46Å; F11-D15 PolarHBondContact O-N 3.08Å; F11-V22 HydrophobicContact CD2-CG2 3.9Å; F11-V22 HydrophobicContact CE1-CG2 4.47Å; F11-V22 HydrophobicContact CE2-CB 4.39Å; F11-V22 HydrophobicContact CE2-CG2 3.5Å; F11-V22 HydrophobicContact CZ-CG2 3.82Å
12R93.7Very high90Very high115 Ų11559.1 Ų59.143%0.43433%0.332SS..Hα-helixtrans-60.3-32176.7-73.4174-176-119.2-1.9113.9D8 R9 I10D8-R12 WeakPolarHBondContact O-CG 3.34Å; D8-R12 PolarHBondContact O-N 2.96Å; D8-R12 IonicContact OD2-CZ 2.71Å; D8-R12 IonicContact OD2-NE 3.55Å; D8-R12 PolarHBondContact OD2-NE 3.45Å; D8-R12 IonicContact OD2-NH2 3.64Å; R9-R12 PolarHBondContact O-N 3.37Å; I10-R12 PolarHBondContact O-N 3.46Å
13V94.8Very high91.8Very high34 Ų3459.9 Ų59.921%0.20634%0.335CS..Hα-helixtrans-78.8-27.2176.5178.80000111.4R9 I10 F11 F45 D48 V49R9-V13 WeakPolarHBondContact O-CG2 3.36Å; R9-V13 PolarHBondContact O-N 3.48Å; I10-V13 PolarHBondContact O-N 2.93Å; F11-V13 VanDerWaalsContact C-N 3.26Å; F11-V13 PolarHBondContact O-N 2.99Å; V13-F45 HydrophobicContact CB-CE2 4.1Å; V13-F45 HydrophobicContact CB-CZ 4.26Å; V13-F45 HydrophobicContact CG1-CD2 3.61Å; V13-F45 HydrophobicContact CG1-CE2 3.46Å; V13-F45 VanDerWaalsContact CG1-CE2 3.46Å; V13-F45 HydrophobicContact CG1-CG 4.29Å; V13-F45 HydrophobicContact CG1-CZ 4.04Å; V13-D48 HydrophobicContact CG1-CB 4.06Å; V13-D48 HydrophobicContact CG2-CB 3.75Å; V13-V49 HydrophobicContact CB-CG2 4.25Å; V13-V49 HydrophobicContact CG2-CB 4.36Å; V13-V49 HydrophobicContact CG2-CG2 3.67Å
14F95.8Very high92.7Very high16 Ų1662.7 Ų62.77%0.0736%0.361CS..Hα-helixtrans-71.1-41.1171-87.2-132.4000111.6I10 F11 G16 V22 E26 W27 L31 F34 F45I10-F14 HydrophobicContact CG2-CD2 4.2Å; I10-F14 HydrophobicContact CG2-CE2 4.07Å; I10-F14 WeakPolarHBondContact O-CD2 3.3Å; I10-F14 PolarHBondContact O-N 2.84Å; I10-F14 VanDerWaalsContact O-N 3.07Å; F11-F14 WeakPolarHBondContact O-CB 3.45Å; F11-F14 PolarHBondContact O-N 2.83Å; F14-G16 VanDerWaalsContact C-N 3.31Å; F14-G16 PolarHBondContact O-N 3.11Å; F14-V22 HydrophobicContact CB-CG1 4.21Å; F14-V22 HydrophobicContact CB-CG2 3.8Å; F14-V22 HydrophobicContact CD1-CG1 4.29Å; F14-E26 VanDerWaalsContact O-CB 3.3Å; F14-E26 WeakPolarHBondContact O-CB 3.49Å; F14-E26 WeakPolarHBondContact O-CG 3.37Å; F14-W27 HydrophobicContact CD1-CE3 4.12Å; F14-W27 HydrophobicContact CD1-CZ3 4.45Å; F14-W27 HydrophobicContact CE1-CE3 4.11Å; F14-W27 HydrophobicContact CE1-CZ3 4.24Å; F14-L31 HydrophobicContact CE1-CD2 4.3Å; F14-L31 HydrophobicContact CE1-CG 4.31Å; F14-L31 HydrophobicContact CZ-CD2 4.4Å; F14-F34 HydrophobicContact CE2-CB 4.36Å; F14-F34 HydrophobicContact CE2-CD2 4.08Å; F14-F34 HydrophobicContact CE2-CG 4.39Å; F14-F34 HydrophobicContact CZ-CB 4Å; F14-F34 HydrophobicContact CZ-CD2 4.25Å; F14-F34 HydrophobicContact CZ-CG 4.13Å; F14-F45 AromaticContact CD2-CE2 3.83Å; F14-F45 HydrophobicContact CD2-CE2 3.83Å; F14-F45 AromaticContact CD2-CZ 3.92Å; F14-F45 HydrophobicContact CD2-CZ 3.92Å; F14-F45 AromaticContact CE2-CE2 3.64Å; F14-F45 HydrophobicContact CE2-CE2 3.64Å; F14-F45 AromaticContact CE2-CZ 3.61Å; F14-F45 HydrophobicContact CE2-CZ 3.61Å
15D95.6Very high93.3Very high10 Ų1062.3 Ų62.35%0.05336%0.355CS..  trans-71.479.1174.5-179.36.5000110.6F11 D17 F18 D19 G20 G21 V22F11-D15 HydrophobicContact CE1-CB 4.46Å; F11-D15 PolarHBondContact O-N 3.08Å; D15-D17 VanDerWaalsContact C-N 3.33Å; D15-D17 PolarHBondContact O-N 3.19Å; D15-F18 PolarHBondContact O-N 3.38Å; D15-F18 WeakPolarHBondContact OD1-CA 3.49Å; D15-F18 PolarHBondContact OD1-N 3.42Å; D15-F18 WeakPolarHBondContact OD2-CA 3.16Å; D15-D19 PolarHBondContact OD1-N 3.41Å; D15-G20 VanDerWaalsContact OD2-CA 3.23Å; D15-G20 WeakPolarHBondContact OD2-CA 3.45Å; D15-G20 PolarHBondContact OD2-N 3.29Å; D15-G21 VanDerWaalsContact CB-O 3.26Å; D15-G21 WeakPolarHBondContact CB-O 3.32Å; D15-V22 HydrophobicContact CB-CG2 4.35Å
16G90Very high93.8Very high55 Ų5560.7 Ų60.757%0.56734%0.344SS*.SBendtrans-76.8-18.5-171.400000114F14 E26F14-G16 VanDerWaalsContact C-N 3.31Å; F14-G16 PolarHBondContact O-N 3.11Å; G16-E26 PolarHBondContact N-OE1 2.79Å
17D92Very high94Very high89 Ų8966.4 Ų66.448%0.47637%0.366SS..SBendtrans-100.5-2173.26917000114.3D15 D19 E26D15-D17 VanDerWaalsContact C-N 3.33Å; D15-D17 PolarHBondContact O-N 3.19Å; D17-D19 VanDerWaalsContact C-N 3.27Å; D17-D19 PolarHBondContact O-N 2.97Å; D17-D19 VanDerWaalsContact OD1-CB 3.26Å; D17-D19 WeakPolarHBondContact OD1-CB 3.42Å; D17-D19 VanDerWaalsContact OD1-CG 3.27Å; D17-D19 PolarHBondContact OD1-N 3.31Å; D17-E26 PolarHBondContact N-OE1 3Å; D17-E26 VanDerWaalsContact N-OE1 3.16Å
18F91.3Very high94.1Very high142 Ų14266.9 Ų66.962%0.62337%0.373SS*.  trans59.633.3177.9-53.1-79.5000113.1D15 G20D15-F18 PolarHBondContact O-N 3.38Å; D15-F18 WeakPolarHBondContact OD1-CA 3.49Å; D15-F18 PolarHBondContact OD1-N 3.42Å; D15-F18 WeakPolarHBondContact OD2-CA 3.16Å; F18-G20 VanDerWaalsContact C-N 3.26Å
19D94.5Very high94.2Very high108 Ų10868 Ų6858%0.57838%0.377SS*.SBendtrans-81.9-4.7178.486.8-2.9000113.6D15 D17 G21D15-D19 PolarHBondContact OD1-N 3.41Å; D17-D19 VanDerWaalsContact C-N 3.27Å; D17-D19 PolarHBondContact O-N 2.97Å; D17-D19 VanDerWaalsContact OD1-CB 3.26Å; D17-D19 WeakPolarHBondContact OD1-CB 3.42Å; D17-D19 VanDerWaalsContact OD1-CG 3.27Å; D17-D19 PolarHBondContact OD1-N 3.31Å; D19-G21 VanDerWaalsContact C-N 3.33Å; D19-G21 VanDerWaalsContact OD1-CA 3.27Å; D19-G21 WeakPolarHBondContact OD1-CA 3.29Å; D19-G21 PolarHBondContact OD1-N 2.92Å
20G93.6Very high94.2Very high57 Ų5767.8 Ų67.859%0.58838%0.378SS*.SBendtrans86.63.3-178.400000113.6D15 F18D15-G20 VanDerWaalsContact OD2-CA 3.23Å; D15-G20 WeakPolarHBondContact OD2-CA 3.45Å; D15-G20 PolarHBondContact OD2-N 3.29Å; F18-G20 VanDerWaalsContact C-N 3.26Å
21G94.7Very high94.2Very high25 Ų2568 Ų6826%0.25838%0.38SS..SBendtrans-121.3174.9176.400000112D15 D19D15-G21 VanDerWaalsContact CB-O 3.26Å; D15-G21 WeakPolarHBondContact CB-O 3.32Å; D19-G21 VanDerWaalsContact C-N 3.33Å; D19-G21 VanDerWaalsContact OD1-CA 3.27Å; D19-G21 WeakPolarHBondContact OD1-CA 3.29Å; D19-G21 PolarHBondContact OD1-N 2.92Å
22V96Very high94.2Very high41 Ų4167.1 Ų67.125%0.24838%0.384CS..  trans-126.6106.1168.6176.20000106.6F11 F14 D15 E26 W27F11-V22 HydrophobicContact CD2-CG2 3.9Å; F11-V22 HydrophobicContact CE1-CG2 4.47Å; F11-V22 HydrophobicContact CE2-CB 4.39Å; F11-V22 HydrophobicContact CE2-CG2 3.5Å; F11-V22 HydrophobicContact CZ-CG2 3.82Å; F14-V22 HydrophobicContact CB-CG1 4.21Å; F14-V22 HydrophobicContact CB-CG2 3.8Å; F14-V22 HydrophobicContact CD1-CG1 4.29Å; D15-V22 HydrophobicContact CB-CG2 4.35Å; V22-E26 WeakPolarHBondContact CA-OE2 3.46Å; V22-E26 HydrophobicContact CG1-CB 3.79Å; V22-W27 HydrophobicContact CG1-CB 3.94Å; V22-W27 HydrophobicContact CG1-CE3 4.2Å
23N96Very high94.2Very high65 Ų6563.7 Ų63.735%0.34837%0.374SS..  trans-73.9172.1178.372.653.1000111.2Q25 E26 W27N23-Q25 VanDerWaalsContact C-N 3.26Å; N23-Q25 PolarHBondContact O-N 2.74Å; N23-Q25 WeakPolarHBondContact OD1-CA 3.29Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.45Å; N23-Q25 PolarHBondContact OD1-N 3.14Å; N23-E26 PolarHBondContact N-OE2 3.33Å; N23-E26 PolarHBondContact ND2-OE2 2.9Å; N23-E26 PolarHBondContact O-N 3Å; N23-E26 PolarHBondContact OD1-N 3.39Å; N23-W27 WeakPolarHBondContact O-CB 3.29Å; N23-W27 PolarHBondContact O-N 2.78Å
24A95.5Very high94Very high84 Ų8463.9 Ų63.969%0.69437%0.372SS*.Hα-helixtrans-62.3-32.9-175.100000113.4V28A24-V28 VanDerWaalsContact O-CG2 3.29Å; A24-V28 WeakPolarHBondContact O-CG2 3.28Å; A24-V28 PolarHBondContact O-N 2.98Å
25Q95.4Very high93.8Very high136 Ų13664.4 Ų64.464%0.63638%0.376SS*.Hα-helixtrans-71.8-47.5178.9-176.4-178-3000110.3N23 W27 V28 M29N23-Q25 VanDerWaalsContact C-N 3.26Å; N23-Q25 PolarHBondContact O-N 2.74Å; N23-Q25 WeakPolarHBondContact OD1-CA 3.29Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.45Å; N23-Q25 PolarHBondContact OD1-N 3.14Å; Q25-W27 VanDerWaalsContact C-N 3.34Å; Q25-W27 PolarHBondContact O-N 3.27Å; Q25-V28 PolarHBondContact O-N 2.86Å; Q25-M29 HydrophobicContact CG-CE 3.93Å; Q25-M29 HydrophobicContact CG-CG 4.45Å; Q25-M29 HydrophobicContact CG-SD 4.08Å; Q25-M29 VanDerWaalsContact O-CG 3.32Å; Q25-M29 WeakPolarHBondContact O-CG 3.29Å; Q25-M29 PolarHBondContact O-N 3.3Å
26E96.3Very high93.6Very high10 Ų1071.9 Ų71.95%0.04740%0.403CS..Hα-helixtrans-57.8-45.2175.3-74.5171.7151.400112.3F14 G16 D17 V22 N23 V28 M29 G30F14-E26 VanDerWaalsContact O-CB 3.3Å; F14-E26 WeakPolarHBondContact O-CB 3.49Å; F14-E26 WeakPolarHBondContact O-CG 3.37Å; G16-E26 PolarHBondContact N-OE1 2.79Å; D17-E26 PolarHBondContact N-OE1 3Å; D17-E26 VanDerWaalsContact N-OE1 3.16Å; V22-E26 WeakPolarHBondContact CA-OE2 3.46Å; V22-E26 HydrophobicContact CG1-CB 3.79Å; N23-E26 PolarHBondContact N-OE2 3.33Å; N23-E26 PolarHBondContact ND2-OE2 2.9Å; N23-E26 PolarHBondContact O-N 3Å; N23-E26 PolarHBondContact OD1-N 3.39Å; E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 3.04Å; E26-M29 HydrophobicContact CG-CE 4.42Å; E26-M29 PolarHBondContact O-N 3.43Å; E26-G30 PolarHBondContact O-N 3.49Å
27W94.4Very high93.7Very high125 Ų12569.9 Ų69.947%0.47338%0.382SS..Hα-helixtrans-56.2-46.6175.2-178.5-107.5000112.2F14 V22 N23 Q25 L31F14-W27 HydrophobicContact CD1-CE3 4.12Å; F14-W27 HydrophobicContact CD1-CZ3 4.45Å; F14-W27 HydrophobicContact CE1-CE3 4.11Å; F14-W27 HydrophobicContact CE1-CZ3 4.24Å; V22-W27 HydrophobicContact CG1-CB 3.94Å; V22-W27 HydrophobicContact CG1-CE3 4.2Å; N23-W27 WeakPolarHBondContact O-CB 3.29Å; N23-W27 PolarHBondContact O-N 2.78Å; Q25-W27 VanDerWaalsContact C-N 3.34Å; Q25-W27 PolarHBondContact O-N 3.27Å; W27-L31 HydrophobicContact CD2-CD1 4.13Å; W27-L31 HydrophobicContact CD2-CG 4.33Å; W27-L31 VanDerWaalsContact CE2-CD1 3.42Å; W27-L31 HydrophobicContact CG-CD1 4.43Å; W27-L31 HydrophobicContact CH2-CD2 4.46Å; W27-L31 HydrophobicContact CZ2-CD1 3.68Å; W27-L31 HydrophobicContact CZ2-CD2 4.34Å; W27-L31 HydrophobicContact CZ2-CG 4.22Å; W27-L31 VanDerWaalsContact NE1-CD1 3.31Å; W27-L31 VanDerWaalsContact O-CB 3.31Å; W27-L31 WeakPolarHBondContact O-CB 3.18Å; W27-L31 VanDerWaalsContact O-CG 3.28Å; W27-L31 WeakPolarHBondContact O-CG 3.39Å; W27-L31 PolarHBondContact O-N 2.99Å
28V93.5Very high93.9Very high98 Ų9869.4 Ų69.459%0.59438%0.382SS*.Hα-helixtrans-68.6-43.3180171.10000111.6A24 Q25 E26 S32A24-V28 VanDerWaalsContact O-CG2 3.29Å; A24-V28 WeakPolarHBondContact O-CG2 3.28Å; A24-V28 PolarHBondContact O-N 2.98Å; Q25-V28 PolarHBondContact O-N 2.86Å; E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 3.04Å; V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 3.28Å
29M93.2Very high94.1Very high97 Ų9766.5 Ų66.548%0.47837%0.373SS..Hα-helixtrans-64.7-48.5178.5-68.7-174.6-51.200111.2Q25 E26 L31 S32 I33Q25-M29 HydrophobicContact CG-CE 3.93Å; Q25-M29 HydrophobicContact CG-CG 4.45Å; Q25-M29 HydrophobicContact CG-SD 4.08Å; Q25-M29 VanDerWaalsContact O-CG 3.32Å; Q25-M29 WeakPolarHBondContact O-CG 3.29Å; Q25-M29 PolarHBondContact O-N 3.3Å; E26-M29 HydrophobicContact CG-CE 4.42Å; E26-M29 PolarHBondContact O-N 3.43Å; M29-L31 PolarHBondContact O-N 3.28Å; M29-S32 WeakPolarHBondContact O-CB 3.26Å; M29-S32 PolarHBondContact O-N 2.89Å; M29-I33 PolarHBondContact O-N 2.95Å
30G94.2Very high94.2Very high8 Ų867.6 Ų67.68%0.08238%0.375CS..Hα-helixtrans-57.5-50.7176.700000111.5E26 S32 I33 F34E26-G30 PolarHBondContact O-N 3.49Å; G30-S32 VanDerWaalsContact C-N 3.3Å; G30-S32 PolarHBondContact O-N 3.4Å; G30-I33 PolarHBondContact O-N 3.06Å; G30-F34 WeakPolarHBondContact O-CB 3.33Å; G30-F34 PolarHBondContact O-N 2.94Å
31L93.6Very high94.3Very high26 Ų2668.7 Ų68.714%0.13636%0.364CS..Hα-helixtrans-63-32.7177.6-75.3-175.6000113.9F14 W27 M29 I33 F34 L35 F135F14-L31 HydrophobicContact CE1-CD2 4.3Å; F14-L31 HydrophobicContact CE1-CG 4.31Å; F14-L31 HydrophobicContact CZ-CD2 4.4Å; W27-L31 HydrophobicContact CD2-CD1 4.13Å; W27-L31 HydrophobicContact CD2-CG 4.33Å; W27-L31 VanDerWaalsContact CE2-CD1 3.42Å; W27-L31 HydrophobicContact CG-CD1 4.43Å; W27-L31 HydrophobicContact CH2-CD2 4.46Å; W27-L31 HydrophobicContact CZ2-CD1 3.68Å; W27-L31 HydrophobicContact CZ2-CD2 4.34Å; W27-L31 HydrophobicContact CZ2-CG 4.22Å; W27-L31 VanDerWaalsContact NE1-CD1 3.31Å; W27-L31 VanDerWaalsContact O-CB 3.31Å; W27-L31 WeakPolarHBondContact O-CB 3.18Å; W27-L31 VanDerWaalsContact O-CG 3.28Å; W27-L31 WeakPolarHBondContact O-CG 3.39Å; W27-L31 PolarHBondContact O-N 2.99Å; M29-L31 PolarHBondContact O-N 3.28Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.38Å; L31-F34 PolarHBondContact O-N 2.98Å; L31-L35 HydrophobicContact CB-CD1 4.22Å; L31-L35 HydrophobicContact CD2-CD1 4.07Å; L31-L35 HydrophobicContact CD2-CG 4.32Å; L31-L35 VanDerWaalsContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CB 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 2.89Å; L31-F135 HydrophobicContact CD1-CE1 3.85Å; L31-F135 HydrophobicContact CD1-CZ 3.87Å; L31-F135 HydrophobicContact CD2-CE1 4.39Å
32S93.5Very high94.4Very high69 Ų6970.3 Ų70.348%0.48337%0.365SS..Hα-helixtrans-57.7-47.1176-172.90000110.9V28 M29 G30 R36 G37V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 3.28Å; M29-S32 WeakPolarHBondContact O-CB 3.26Å; M29-S32 PolarHBondContact O-N 2.89Å; G30-S32 VanDerWaalsContact C-N 3.3Å; G30-S32 PolarHBondContact O-N 3.4Å; S32-R36 CarbonylContact O-C 3.28Å; S32-R36 VanDerWaalsContact O-C 3.28Å; S32-R36 WeakPolarHBondContact O-CA 3.5Å; S32-R36 WeakPolarHBondContact O-CB 3.25Å; S32-R36 PolarHBondContact O-N 2.91Å; S32-G37 PolarHBondContact O-N 3.24Å; S32-G37 VanDerWaalsContact O-N 3.14Å
33I93.5Very high94.5Very high42 Ų4268.4 Ų68.422%0.21535%0.353CS..Hα-helixtrans-72.9-47.9177.6-59.9169.8000110.7M29 G30 L31 L35 G37 E41 F45M29-I33 PolarHBondContact O-N 2.95Å; G30-I33 PolarHBondContact O-N 3.06Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.38Å; I33-L35 VanDerWaalsContact C-N 3.28Å; I33-L35 PolarHBondContact O-N 3.16Å; I33-G37 VanDerWaalsContact O-CA 3.27Å; I33-G37 WeakPolarHBondContact O-CA 3.5Å; I33-G37 PolarHBondContact O-N 3.18Å; I33-E41 HydrophobicContact CG1-CB 4.22Å; I33-E41 HydrophobicContact CG2-CB 3.93Å; I33-F45 HydrophobicContact CG2-CB 3.94Å; I33-F45 HydrophobicContact CG2-CD2 4.15Å; I33-F45 HydrophobicContact CG2-CG 4.19Å
34F90.4Very high94.6Very high39 Ų3969.6 Ų69.617%0.17136%0.355CS..Hα-helixtrans-59.8-36.1-174.8-161.1-106.5000113.1I10 F14 G30 L31 F45 C125 F126 P127I10-F34 HydrophobicContact CD1-CE2 4.15Å; I10-F34 HydrophobicContact CD1-CZ 4.41Å; I10-F34 HydrophobicContact CG1-CE2 4.4Å; I10-F34 HydrophobicContact CG2-CD2 4.45Å; I10-F34 HydrophobicContact CG2-CE2 3.76Å; I10-F34 HydrophobicContact CG2-CZ 4.32Å; F14-F34 HydrophobicContact CE2-CB 4.36Å; F14-F34 HydrophobicContact CE2-CD2 4.08Å; F14-F34 HydrophobicContact CE2-CG 4.39Å; F14-F34 HydrophobicContact CZ-CB 4Å; F14-F34 HydrophobicContact CZ-CD2 4.25Å; F14-F34 HydrophobicContact CZ-CG 4.13Å; G30-F34 WeakPolarHBondContact O-CB 3.33Å; G30-F34 PolarHBondContact O-N 2.94Å; L31-F34 PolarHBondContact O-N 2.98Å; F34-F45 HydrophobicContact CD2-CE1 4.09Å; F34-F45 HydrophobicContact CD2-CZ 4.01Å; F34-F45 HydrophobicContact CE2-CE1 4.39Å; F34-F45 HydrophobicContact CE2-CZ 4.47Å; F34-C125 WeakPolarHBondContact CE2-O 3.28Å; F34-F126 HydrophobicContact CD2-CD1 4.18Å; F34-P127 HydrophobicContact CD1-CG 3.79Å; F34-P127 HydrophobicContact CE1-CB 4.29Å; F34-P127 HydrophobicContact CE1-CG 3.62Å; F34-P127 HydrophobicContact CZ-CG 4.37Å
35L92.2Very high94.7Very high27 Ų2766 Ų6614%0.14132%0.323CS..Hα-helixtrans-102-29.2-177.4-58.2173.8000113.6L31 I33 P127 A132 F135 L136L31-L35 HydrophobicContact CB-CD1 4.22Å; L31-L35 HydrophobicContact CD2-CD1 4.07Å; L31-L35 HydrophobicContact CD2-CG 4.32Å; L31-L35 VanDerWaalsContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CB 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 2.89Å; I33-L35 VanDerWaalsContact C-N 3.28Å; I33-L35 PolarHBondContact O-N 3.16Å; L35-P127 HydrophobicContact CD2-CG 4.12Å; L35-A132 HydrophobicContact CD2-CB 4.13Å; L35-F135 HydrophobicContact CD1-CD1 3.41Å; L35-F135 VanDerWaalsContact CD1-CD1 3.41Å; L35-F135 HydrophobicContact CD1-CE1 3.62Å; L35-F135 HydrophobicContact CD2-CD1 4.34Å; L35-L136 HydrophobicContact CB-CD2 4.37Å; L35-L136 HydrophobicContact CD1-CD2 3.84Å; L35-L136 HydrophobicContact CD1-CG 4.3Å
36R91.3Very high94.7Very high167 Ų16759.5 Ų59.563%0.6329%0.293SS*.Hα-helixtrans-141.612.9-169.8-62.8-174.3178.5-178.80.1114.5S32 L136S32-R36 CarbonylContact O-C 3.28Å; S32-R36 VanDerWaalsContact O-C 3.28Å; S32-R36 WeakPolarHBondContact O-CA 3.5Å; S32-R36 WeakPolarHBondContact O-CB 3.25Å; S32-R36 PolarHBondContact O-N 2.91Å; R36-L136 HydrophobicContact CG-CD1 4.31Å
37G93Very high94.8Very high12 Ų1259.2 Ų59.212%0.12429%0.292CS..  trans-60.7143.5-179.300000112.4S32 I33 E41 K42S32-G37 PolarHBondContact O-N 3.24Å; S32-G37 VanDerWaalsContact O-N 3.14Å; I33-G37 VanDerWaalsContact O-CA 3.27Å; I33-G37 WeakPolarHBondContact O-CA 3.5Å; I33-G37 PolarHBondContact O-N 3.18Å; G37-E41 WeakPolarHBondContact CA-OE2 3.32Å; G37-K42 WeakPolarHBondContact O-CE 3.45Å
38T95.6Very high94.9Very high79 Ų7955.4 Ų55.449%0.48528%0.281SS..  trans-60.7165163.660.60000110.6E40 E41 K42T38-E40 VanDerWaalsContact C-N 3.26Å; T38-E40 PolarHBondContact O-N 3.01Å; T38-E41 WeakPolarHBondContact CB-OE2 3.38Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.28Å; T38-E41 PolarHBondContact N-OE2 2.96Å; T38-E41 PolarHBondContact O-N 2.73Å; T38-E41 VanDerWaalsContact OG1-CG 3.31Å; T38-E41 WeakPolarHBondContact OG1-CG 3.36Å; T38-E41 PolarHBondContact OG1-N 3.32Å; T38-E41 PolarHBondContact OG1-OE2 2.76Å; T38-K42 WeakPolarHBondContact O-CB 3.19Å; T38-K42 WeakPolarHBondContact O-CG 3.27Å; T38-K42 PolarHBondContact O-N 3.31Å
39L95.4Very high95Very high82 Ų8250.8 Ų50.843%0.42925%0.253SS..Hα-helixtrans-57.1-42.7176.1-178.961.2000111.4K42 I43 V112L39-K42 PolarHBondContact O-N 3.07Å; L39-I43 HydrophobicContact CD1-CD1 4.2Å; L39-I43 HydrophobicContact CD1-CG1 4.24Å; L39-I43 HydrophobicContact CG-CD1 3.86Å; L39-I43 HydrophobicContact CG-CG1 4.36Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.41Å; L39-I43 PolarHBondContact O-N 3.32Å; L39-V112 HydrophobicContact CD1-CG1 4.23Å
40E96.6Very high95.1Very high130 Ų13046.1 Ų46.161%0.60723%0.23SC*.Hα-helixtrans-60-48.4178.4-175.3180176.800112.2T38 K42 I43 K44T38-E40 VanDerWaalsContact C-N 3.26Å; T38-E40 PolarHBondContact O-N 3.01Å; E40-K42 VanDerWaalsContact C-N 3.31Å; E40-K42 PolarHBondContact O-N 3.17Å; E40-I43 PolarHBondContact O-N 3.2Å; E40-K44 PolarHBondContact O-N 2.61Å
41E96.8Very high95.3Very high80 Ų8046 Ų4637%0.37423%0.227SC..Hα-helixtrans-62.6-39.5176.5-69.8165.8129.900111.6I33 G37 T38 K44 F45I33-E41 HydrophobicContact CG1-CB 4.22Å; I33-E41 HydrophobicContact CG2-CB 3.93Å; G37-E41 WeakPolarHBondContact CA-OE2 3.32Å; T38-E41 WeakPolarHBondContact CB-OE2 3.38Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.28Å; T38-E41 PolarHBondContact N-OE2 2.96Å; T38-E41 PolarHBondContact O-N 2.73Å; T38-E41 VanDerWaalsContact OG1-CG 3.31Å; T38-E41 WeakPolarHBondContact OG1-CG 3.36Å; T38-E41 PolarHBondContact OG1-N 3.32Å; T38-E41 PolarHBondContact OG1-OE2 2.76Å; E41-K44 PolarHBondContact O-N 3.05Å; E41-F45 VanDerWaalsContact O-CB 3.29Å; E41-F45 WeakPolarHBondContact O-CB 3.3Å; E41-F45 PolarHBondContact O-N 3.35Å
42K96.9Very high95.3Very high60 Ų6046.2 Ų46.226%0.26123%0.228SC..Hα-helixtrans-67.9-39.1177.5-73.6-175.8175.7-170.90112.6G37 T38 L39 E40 F45 A46 L119 F126G37-K42 WeakPolarHBondContact O-CE 3.45Å; T38-K42 WeakPolarHBondContact O-CB 3.19Å; T38-K42 WeakPolarHBondContact O-CG 3.27Å; T38-K42 PolarHBondContact O-N 3.31Å; L39-K42 PolarHBondContact O-N 3.07Å; E40-K42 VanDerWaalsContact C-N 3.31Å; E40-K42 PolarHBondContact O-N 3.17Å; K42-F45 PolarHBondContact O-N 2.88Å; K42-A46 WeakPolarHBondContact O-CB 3.24Å; K42-A46 PolarHBondContact O-N 2.96Å; K42-L119 HydrophobicContact CB-CD1 4.36Å; K42-L119 HydrophobicContact CB-CD2 4.14Å; K42-L119 HydrophobicContact CD-CD2 4.43Å; K42-F126 HydrophobicContact CB-CE1 4.34Å; K42-F126 HydrophobicContact CB-CE2 4.15Å; K42-F126 HydrophobicContact CB-CZ 3.73Å; K42-F126 HydrophobicContact CD-CE1 4.47Å; K42-F126 HydrophobicContact CD-CZ 4.44Å; K42-F126 HydrophobicContact CG-CE1 3.92Å; K42-F126 HydrophobicContact CG-CE2 4.41Å; K42-F126 HydrophobicContact CG-CZ 3.82Å; K42-F126 WeakPolarHBondContact O-CZ 3.45Å
43I97.9Very high95.3Very high0 Ų047.4 Ų47.40%023%0.229CC..Hα-helixtrans-59.8-49.8174.7-73.5168.1000109.6L39 E40 F45 A46 F47 Y105 F108 Q109 V112 E113 L119L39-I43 HydrophobicContact CD1-CD1 4.2Å; L39-I43 HydrophobicContact CD1-CG1 4.24Å; L39-I43 HydrophobicContact CG-CD1 3.86Å; L39-I43 HydrophobicContact CG-CG1 4.36Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.41Å; L39-I43 PolarHBondContact O-N 3.32Å; E40-I43 PolarHBondContact O-N 3.2Å; I43-F45 PolarHBondContact O-N 3.11Å; I43-A46 PolarHBondContact O-N 2.63Å; I43-F47 WeakPolarHBondContact O-CB 3.48Å; I43-F47 PolarHBondContact O-N 2.97Å; I43-Y105 HydrophobicContact CG2-CE2 3.95Å; I43-F108 HydrophobicContact CG2-CD1 3.99Å; I43-F108 HydrophobicContact CG2-CE1 4.24Å; I43-Q109 HydrophobicContact CD1-CG 4.32Å; I43-Q109 HydrophobicContact CG2-CB 3.91Å; I43-Q109 HydrophobicContact CG2-CG 4.2Å; I43-V112 HydrophobicContact CD1-CB 4.01Å; I43-V112 HydrophobicContact CD1-CG1 3.84Å; I43-V112 HydrophobicContact CG1-CB 3.97Å; I43-V112 HydrophobicContact CG1-CG1 3.64Å; I43-E113 HydrophobicContact CD1-CG 4.14Å; I43-L119 HydrophobicContact CG1-CD1 4.16Å
44K97.3Very high95.3Very high90 Ų9048.9 Ų48.939%0.39124%0.243SC..Hα-helixtrans-60.8-45.9178.1-17660.617177.90112E40 E41 F47 D48 Y105E40-K44 PolarHBondContact O-N 2.61Å; E41-K44 PolarHBondContact O-N 3.05Å; K44-F47 PolarHBondContact O-N 3.26Å; K44-D48 IonicContact NZ-OD1 2.63Å; K44-D48 PolarHBondContact NZ-OD1 3.49Å; K44-D48 IonicContact NZ-OD2 2.87Å; K44-D48 PolarHBondContact NZ-OD2 3.32Å; K44-D48 VanDerWaalsContact O-CG 3.27Å; K44-D48 PolarHBondContact O-N 3.41Å; K44-Y105 HydrophobicContact CB-CE2 4.12Å; K44-Y105 HydrophobicContact CD-CD2 4.07Å; K44-Y105 HydrophobicContact CD-CE2 3.62Å; K44-Y105 HydrophobicContact CG-CE2 4.49Å
45F96.9Very high95.5Very high8 Ų851 Ų514%0.03526%0.256CS..Hα-helixtrans-59.9-49.4178.1-174.1-83.1000112I10 V13 F14 I33 F34 E41 K42 I43 F47 D48 V49 F126I10-F45 HydrophobicContact CG2-CZ 4.22Å; V13-F45 HydrophobicContact CB-CE2 4.1Å; V13-F45 HydrophobicContact CB-CZ 4.26Å; V13-F45 HydrophobicContact CG1-CD2 3.61Å; V13-F45 HydrophobicContact CG1-CE2 3.46Å; V13-F45 VanDerWaalsContact CG1-CE2 3.46Å; V13-F45 HydrophobicContact CG1-CG 4.29Å; V13-F45 HydrophobicContact CG1-CZ 4.04Å; F14-F45 AromaticContact CD2-CE2 3.83Å; F14-F45 HydrophobicContact CD2-CE2 3.83Å; F14-F45 AromaticContact CD2-CZ 3.92Å; F14-F45 HydrophobicContact CD2-CZ 3.92Å; F14-F45 AromaticContact CE2-CE2 3.64Å; F14-F45 HydrophobicContact CE2-CE2 3.64Å; F14-F45 AromaticContact CE2-CZ 3.61Å; F14-F45 HydrophobicContact CE2-CZ 3.61Å; I33-F45 HydrophobicContact CG2-CB 3.94Å; I33-F45 HydrophobicContact CG2-CD2 4.15Å; I33-F45 HydrophobicContact CG2-CG 4.19Å; F34-F45 HydrophobicContact CD2-CE1 4.09Å; F34-F45 HydrophobicContact CD2-CZ 4.01Å; F34-F45 HydrophobicContact CE2-CE1 4.39Å; F34-F45 HydrophobicContact CE2-CZ 4.47Å; E41-F45 VanDerWaalsContact O-CB 3.29Å; E41-F45 WeakPolarHBondContact O-CB 3.3Å; E41-F45 PolarHBondContact O-N 3.35Å; K42-F45 PolarHBondContact O-N 2.88Å; I43-F45 PolarHBondContact O-N 3.11Å; F45-F47 VanDerWaalsContact C-N 3.32Å; F45-F47 PolarHBondContact O-N 3.37Å; F45-D48 PolarHBondContact O-N 3.44Å; F45-V49 HydrophobicContact CD1-CG2 3.95Å; F45-V49 HydrophobicContact CE1-CG2 3.58Å; F45-V49 HydrophobicContact CZ-CG2 4.19Å; F45-V49 WeakPolarHBondContact O-CG2 3.46Å; F45-V49 PolarHBondContact O-N 2.92Å; F45-F126 HydrophobicContact CB-CE1 4.48Å; F45-F126 HydrophobicContact CB-CZ 4.16Å; F45-F126 AromaticContact CD1-CE1 3.61Å; F45-F126 HydrophobicContact CD1-CE1 3.61Å; F45-F126 AromaticContact CD1-CZ 3.6Å; F45-F126 HydrophobicContact CD1-CZ 3.6Å; F45-F126 HydrophobicContact CE1-CE1 4.17Å; F45-F126 HydrophobicContact CE1-CZ 4.46Å; F45-F126 HydrophobicContact CG-CE1 4.18Å; F45-F126 HydrophobicContact CG-CZ 4.2Å
46A97Very high95.7Very high0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-62.5-39.8179.100000112.1K42 I43 D48 V49 Y50 F108 L119 F126K42-A46 WeakPolarHBondContact O-CB 3.24Å; K42-A46 PolarHBondContact O-N 2.96Å; I43-A46 PolarHBondContact O-N 2.63Å; A46-D48 PolarHBondContact O-N 2.97Å; A46-V49 WeakPolarHBondContact O-CB 3.35Å; A46-V49 PolarHBondContact O-N 3.48Å; A46-Y50 HydrophobicContact CB-CE2 4.3Å; A46-Y50 WeakPolarHBondContact O-CD2 3.4Å; A46-Y50 VanDerWaalsContact O-CG 3.23Å; A46-Y50 PolarHBondContact O-N 3.41Å; A46-Y50 VanDerWaalsContact O-N 3.08Å; A46-F108 HydrophobicContact CB-CE1 4.17Å; A46-F108 HydrophobicContact CB-CZ 4.25Å; A46-L119 HydrophobicContact CB-CD1 3.77Å; A46-F126 HydrophobicContact CB-CE2 4.16Å
47F97.6Very high96Very high5 Ų548.6 Ų48.62%0.02226%0.257CS..Hα-helixtrans-58.7-47.7175.2-172.8-88.5000111.6I43 K44 F45 V49 Y50 D51 G56 I58 Y105 F108I43-F47 WeakPolarHBondContact O-CB 3.48Å; I43-F47 PolarHBondContact O-N 2.97Å; K44-F47 PolarHBondContact O-N 3.26Å; F45-F47 VanDerWaalsContact C-N 3.32Å; F45-F47 PolarHBondContact O-N 3.37Å; F47-V49 VanDerWaalsContact C-N 3.28Å; F47-V49 PolarHBondContact O-N 3.46Å; F47-Y50 PolarHBondContact O-N 2.87Å; F47-Y50 VanDerWaalsContact O-N 3.11Å; F47-D51 HydrophobicContact CE1-CB 4.25Å; F47-D51 WeakPolarHBondContact O-CB 3.33Å; F47-D51 PolarHBondContact O-N 2.84Å; F47-G56 WeakPolarHBondContact CZ-O 3.29Å; F47-I58 HydrophobicContact CD2-CD1 3.57Å; F47-I58 HydrophobicContact CD2-CG1 4.24Å; F47-I58 HydrophobicContact CE2-CD1 3.6Å; F47-I58 HydrophobicContact CE2-CG1 3.84Å; F47-I58 HydrophobicContact CG-CD1 4.32Å; F47-I58 HydrophobicContact CZ-CD1 4.36Å; F47-I58 HydrophobicContact CZ-CG1 4.15Å; F47-Y105 HydrophobicContact CB-CD2 4.03Å; F47-Y105 HydrophobicContact CB-CE2 4.43Å; F47-Y105 HydrophobicContact CD1-CD2 4.1Å; F47-Y105 HydrophobicContact CD2-CD2 4.13Å; F47-Y105 VanDerWaalsContact CE2-CA 3.47Å; F47-Y105 AromaticContact CG-CD2 3.81Å; F47-Y105 HydrophobicContact CG-CD2 3.81Å; F47-F108 HydrophobicContact CB-CD1 3.92Å; F47-F108 HydrophobicContact CB-CE1 4.16Å; F47-F108 HydrophobicContact CD2-CB 3.75Å; F47-F108 AromaticContact CD2-CD1 3.81Å; F47-F108 HydrophobicContact CD2-CD1 3.81Å; F47-F108 AromaticContact CD2-CG 3.88Å; F47-F108 HydrophobicContact CD2-CG 3.88Å; F47-F108 HydrophobicContact CE2-CB 4.14Å; F47-F108 HydrophobicContact CG-CD1 4.37Å
48D96.1Very high96.2Very high45 Ų4548.1 Ų48.124%0.24125%0.251CS..Hα-helixtrans-65.9-30.9179.4-64.2-19.7000112.6V13 K44 F45 A46 Y50V13-D48 HydrophobicContact CG1-CB 4.06Å; V13-D48 HydrophobicContact CG2-CB 3.75Å; K44-D48 IonicContact NZ-OD1 2.63Å; K44-D48 PolarHBondContact NZ-OD1 3.49Å; K44-D48 IonicContact NZ-OD2 2.87Å; K44-D48 PolarHBondContact NZ-OD2 3.32Å; K44-D48 VanDerWaalsContact O-CG 3.27Å; K44-D48 PolarHBondContact O-N 3.41Å; F45-D48 PolarHBondContact O-N 3.44Å; A46-D48 PolarHBondContact O-N 2.97Å; D48-Y50 VanDerWaalsContact C-N 3.33Å
49V95.9Very high96.3Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-65.1-41.2173.5169.30000110.2M6 R9 I10 V13 F45 A46 F47M6-V49 HydrophobicContact CE-CG1 4.07Å; R9-V49 HydrophobicContact CB-CG1 3.65Å; R9-V49 PolarHBondContact NE-O 2.8Å; R9-V49 VanDerWaalsContact NE-O 3.1Å; I10-V49 HydrophobicContact CG1-CG2 4.29Å; V13-V49 HydrophobicContact CB-CG2 4.25Å; V13-V49 HydrophobicContact CG2-CB 4.36Å; V13-V49 HydrophobicContact CG2-CG2 3.67Å; F45-V49 HydrophobicContact CD1-CG2 3.95Å; F45-V49 HydrophobicContact CE1-CG2 3.58Å; F45-V49 HydrophobicContact CZ-CG2 4.19Å; F45-V49 WeakPolarHBondContact O-CG2 3.46Å; F45-V49 PolarHBondContact O-N 2.92Å; A46-V49 WeakPolarHBondContact O-CB 3.35Å; A46-V49 PolarHBondContact O-N 3.48Å; F47-V49 VanDerWaalsContact C-N 3.28Å; F47-V49 PolarHBondContact O-N 3.46Å
50Y96.5Very high96.3Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-82.4-30.1-175.5-62-28.8000114.7M6 A46 F47 D48 L52 I58 L66 F108 L119 E120 L122 G123 C125M6-Y50 HydrophobicContact CE-CE1 4.03Å; A46-Y50 HydrophobicContact CB-CE2 4.3Å; A46-Y50 WeakPolarHBondContact O-CD2 3.4Å; A46-Y50 VanDerWaalsContact O-CG 3.23Å; A46-Y50 PolarHBondContact O-N 3.41Å; A46-Y50 VanDerWaalsContact O-N 3.08Å; F47-Y50 PolarHBondContact O-N 2.87Å; F47-Y50 VanDerWaalsContact O-N 3.11Å; D48-Y50 VanDerWaalsContact C-N 3.33Å; Y50-L52 PolarHBondContact O-N 3.24Å; Y50-L52 VanDerWaalsContact O-N 3.09Å; Y50-I58 HydrophobicContact CD2-CD1 4.32Å; Y50-L66 HydrophobicContact CD1-CD1 3.75Å; Y50-L66 HydrophobicContact CD1-CD2 4.41Å; Y50-L66 HydrophobicContact CG-CD1 4.14Å; Y50-F108 HydrophobicContact CD2-CE2 4.33Å; Y50-F108 HydrophobicContact CD2-CZ 4.14Å; Y50-F108 HydrophobicContact CE2-CE2 4.3Å; Y50-F108 AromaticContact CE2-CZ 4Å; Y50-F108 HydrophobicContact CE2-CZ 4Å; Y50-L119 PolarHBondContact OH-O 3.46Å; Y50-E120 VanDerWaalsContact OH-C 3.27Å; Y50-E120 VanDerWaalsContact OH-CA 3.22Å; Y50-E120 WeakPolarHBondContact OH-CA 3.35Å; Y50-L122 HydrophobicContact CD1-CB 3.92Å; Y50-L122 HydrophobicContact CD1-CD1 4.31Å; Y50-L122 HydrophobicContact CD2-CB 4.35Å; Y50-L122 HydrophobicContact CD2-CD1 3.95Å; Y50-L122 HydrophobicContact CD2-CG 4.42Å; Y50-L122 HydrophobicContact CE1-CB 3.64Å; Y50-L122 HydrophobicContact CE2-CB 4.1Å; Y50-L122 HydrophobicContact CE2-CD1 4.4Å; Y50-L122 HydrophobicContact CE2-CG 4.39Å; Y50-L122 HydrophobicContact CG-CB 4.27Å; Y50-L122 HydrophobicContact CG-CD1 3.89Å; Y50-L122 PolarHBondContact OH-N 3.26Å; Y50-G123 PolarHBondContact OH-N 3.07Å; Y50-G123 PolarHBondContact OH-O 3.32Å; Y50-C125 WeakPolarHBondContact CE1-SG 3.41Å; Y50-C125 PolarHBondContact OH-SG 2.9Å; Y50-C125 VanDerWaalsContact OH-SG 3.4Å
51D96.6Very high96.3Very high5 Ų546.8 Ų46.83%0.02724%0.237CC..  trans-72.296.3173.6-179.6-6.7000109.5R9 F47 N53 S54 D55 G56 I58R9-D51 PolarHBondContact NH2-O 3.42Å; F47-D51 HydrophobicContact CE1-CB 4.25Å; F47-D51 WeakPolarHBondContact O-CB 3.33Å; F47-D51 PolarHBondContact O-N 2.84Å; D51-N53 VanDerWaalsContact C-N 3.32Å; D51-N53 PolarHBondContact O-N 3.31Å; D51-N53 PolarHBondContact OD1-OD1 2.96Å; D51-S54 VanDerWaalsContact CG-CA 3.44Å; D51-S54 WeakPolarHBondContact OD1-CA 3.36Å; D51-S54 PolarHBondContact OD1-N 3.41Å; D51-S54 WeakPolarHBondContact OD2-CA 3.39Å; D51-D55 PolarHBondContact OD1-N 2.86Å; D51-D55 PolarHBondContact OD2-N 3.24Å; D51-G56 VanDerWaalsContact OD2-CA 3.29Å; D51-G56 WeakPolarHBondContact OD2-CA 3.31Å; D51-G56 PolarHBondContact OD2-N 2.85Å; D51-I58 HydrophobicContact CB-CG1 4.42Å
52L94.2Very high96.3Very high31 Ų3143.4 Ų43.416%0.16222%0.221CC..SBendtrans-70.8-33-167.1-60.9-172.4000112.2R9 Y50 E62 Q65 L66R9-L52 HydrophobicContact CG-CD2 4.16Å; R9-L52 PolarHBondContact NH1-O 2.96Å; R9-L52 PolarHBondContact NH2-O 3.34Å; Y50-L52 PolarHBondContact O-N 3.24Å; Y50-L52 VanDerWaalsContact O-N 3.09Å; L52-E62 HydrophobicContact CB-CG 3.89Å; L52-E62 WeakPolarHBondContact CB-OE1 3.39Å; L52-E62 HydrophobicContact CD1-CB 3.97Å; L52-E62 HydrophobicContact CD1-CG 3.87Å; L52-E62 HydrophobicContact CG-CB 3.91Å; L52-E62 HydrophobicContact CG-CG 3.77Å; L52-E62 PolarHBondContact N-OE1 3.36Å; L52-Q65 HydrophobicContact CD1-CB 4.1Å; L52-L66 HydrophobicContact CD2-CD1 4.48Å; L52-L66 HydrophobicContact CD2-CD2 4Å; L52-L66 HydrophobicContact CD2-CG 4.25Å
53N93.4Very high96.2Very high93 Ų9340.6 Ų40.650%0.49721%0.209SC..SBendtrans-103.1-4.3-176.872.810.5000113.9D51 D55 E62D51-N53 VanDerWaalsContact C-N 3.32Å; D51-N53 PolarHBondContact O-N 3.31Å; D51-N53 PolarHBondContact OD1-OD1 2.96Å; N53-D55 VanDerWaalsContact C-N 3.34Å; N53-D55 PolarHBondContact ND2-OD2 3.48Å; N53-D55 WeakPolarHBondContact OD1-CB 3.32Å; N53-D55 PolarHBondContact OD1-N 3.44Å; N53-D55 PolarHBondContact OD1-OD2 2.86Å; N53-E62 PolarHBondContact N-OE1 3.24Å
54S93.4Very high96.1Very high73 Ų7341.7 Ų41.751%0.5121%0.214SC..  trans61.535.2-179.2-52.80000113.8D51 G56D51-S54 VanDerWaalsContact CG-CA 3.44Å; D51-S54 WeakPolarHBondContact OD1-CA 3.36Å; D51-S54 PolarHBondContact OD1-N 3.41Å; D51-S54 WeakPolarHBondContact OD2-CA 3.39Å; S54-G56 VanDerWaalsContact C-N 3.35Å
55D95.6Very high95.8Very high84 Ų8440.6 Ų40.645%0.44921%0.21SC..SBendtrans-87.6-1.8178.679.220.3000114.2D51 N53 R57D51-D55 PolarHBondContact OD1-N 2.86Å; D51-D55 PolarHBondContact OD2-N 3.24Å; N53-D55 VanDerWaalsContact C-N 3.34Å; N53-D55 PolarHBondContact ND2-OD2 3.48Å; N53-D55 WeakPolarHBondContact OD1-CB 3.32Å; N53-D55 PolarHBondContact OD1-N 3.44Å; N53-D55 PolarHBondContact OD1-OD2 2.86Å; D55-R57 VanDerWaalsContact OD1-CB 3.29Å; D55-R57 WeakPolarHBondContact OD1-CB 3.49Å; D55-R57 PolarHBondContact OD1-N 3.36Å
56G96.2Very high95.6Very high35 Ų3540.3 Ų40.336%0.36121%0.209SC..SBendtrans8715179.800000113.7F47 D51 S54F47-G56 WeakPolarHBondContact CZ-O 3.29Å; D51-G56 VanDerWaalsContact OD2-CA 3.29Å; D51-G56 WeakPolarHBondContact OD2-CA 3.31Å; D51-G56 PolarHBondContact OD2-N 2.85Å; S54-G56 VanDerWaalsContact C-N 3.35Å
57R96.9Very high95.4Very high109 Ų10941.1 Ų41.141%0.41121%0.213SC..BIsolated β-bridgetrans-142.4153.3-179.5-51.5178.3-178.1-151.6-8110.2D55 L103D55-R57 VanDerWaalsContact OD1-CB 3.29Å; D55-R57 WeakPolarHBondContact OD1-CB 3.49Å; D55-R57 PolarHBondContact OD1-N 3.36Å; R57-L103 CarbonylContact C-O 3.05Å; R57-L103 VanDerWaalsContact CA-O 3.29Å; R57-L103 WeakPolarHBondContact CA-O 3.33Å
58I97.2Very high94.9Very high2 Ų244 Ų441%0.0123%0.225CC..  trans-111110.6173.7-59.8165.9000107.8F47 Y50 D51 M63 L103 L122F47-I58 HydrophobicContact CD2-CD1 3.57Å; F47-I58 HydrophobicContact CD2-CG1 4.24Å; F47-I58 HydrophobicContact CE2-CD1 3.6Å; F47-I58 HydrophobicContact CE2-CG1 3.84Å; F47-I58 HydrophobicContact CG-CD1 4.32Å; F47-I58 HydrophobicContact CZ-CD1 4.36Å; F47-I58 HydrophobicContact CZ-CG1 4.15Å; Y50-I58 HydrophobicContact CD2-CD1 4.32Å; D51-I58 HydrophobicContact CB-CG1 4.42Å; I58-M63 HydrophobicContact CG2-CG 3.63Å; I58-M63 HydrophobicContact CG2-SD 4.41Å; I58-L103 HydrophobicContact CB-CD2 3.84Å; I58-L103 HydrophobicContact CB-CG 4.06Å; I58-L103 HydrophobicContact CD1-CD2 4.39Å; I58-L103 HydrophobicContact CG2-CD2 4.09Å; I58-L103 PolarHBondContact N-O 3.43Å; I58-L103 WeakPolarHBondContact O-CB 3.18Å; I58-L122 HydrophobicContact CG2-CD1 4.09Å
59T97.1Very high94.2Very high56 Ų5647.7 Ų47.734%0.34424%0.237SC..  trans-84.5157.2179.865.40000111.5E61 E62 M63T59-E61 PolarHBondContact O-N 3.17Å; T59-E62 WeakPolarHBondContact CB-OE2 3.21Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.32Å; T59-E62 PolarHBondContact N-OE2 3.47Å; T59-E62 WeakPolarHBondContact O-CB 3.46Å; T59-E62 PolarHBondContact O-N 3.45Å; T59-E62 VanDerWaalsContact O-N 3.07Å; T59-E62 VanDerWaalsContact OG1-CG 3.24Å; T59-E62 WeakPolarHBondContact OG1-CG 3.34Å; T59-E62 PolarHBondContact OG1-N 3.01Å; T59-E62 PolarHBondContact OG1-OE2 3.28Å; T59-M63 WeakPolarHBondContact O-CG 3.38Å; T59-M63 PolarHBondContact O-N 3.44Å
60R96.8Very high93.2Very high94 Ų9449.3 Ų49.336%0.35525%0.248SC..Hα-helixtrans-55.2-34.9173.4-71.8175.7174.673.33.4112.7M63 F64 V88 E89 F92 G101R60-M63 PolarHBondContact O-N 3.32Å; R60-F64 WeakPolarHBondContact O-CB 3.34Å; R60-F64 PolarHBondContact O-N 3.41Å; R60-V88 HydrophobicContact CB-CG1 3.9Å; R60-V88 HydrophobicContact CG-CG1 4.09Å; R60-E89 WeakPolarHBondContact CD-OE1 3.49Å; R60-E89 IonicContact NE-OE1 2.96Å; R60-E89 PolarHBondContact NE-OE1 3.15Å; R60-E89 IonicContact NE-OE2 3.47Å; R60-E89 PolarHBondContact NE-OE2 2.91Å; R60-E89 IonicContact NH2-OE2 3.79Å; R60-F92 HydrophobicContact CG-CD2 3.66Å; R60-F92 HydrophobicContact CG-CE2 4.06Å; R60-F92 HydrophobicContact CG-CG 4.26Å; R60-F92 VanDerWaalsContact NH2-CE1 3.27Å; R60-G101 PolarHBondContact NH1-O 3.07Å
61E96.1Very high92.1Very high112 Ų11254 Ų5452%0.52327%0.273SS..Hα-helixtrans-67.3-40.7177.9-17756.3-149.100111.3T59 F64 Q65T59-E61 PolarHBondContact O-N 3.17Å; E61-F64 WeakPolarHBondContact O-CB 3.46Å; E61-F64 PolarHBondContact O-N 3.17Å; E61-Q65 WeakPolarHBondContact O-CG 3.44Å; E61-Q65 PolarHBondContact O-N 3.35Å; E61-Q65 PolarHBondContact OE1-NE2 3.36Å
62E96.2Very high90.8Very high10 Ų1056.1 Ų56.15%0.04729%0.286CS..Hα-helixtrans-66.1-42.8174.5-69.4167.513000111.6L52 N53 T59 F64 Q65 L66L52-E62 HydrophobicContact CB-CG 3.89Å; L52-E62 WeakPolarHBondContact CB-OE1 3.39Å; L52-E62 HydrophobicContact CD1-CB 3.97Å; L52-E62 HydrophobicContact CD1-CG 3.87Å; L52-E62 HydrophobicContact CG-CB 3.91Å; L52-E62 HydrophobicContact CG-CG 3.77Å; L52-E62 PolarHBondContact N-OE1 3.36Å; N53-E62 PolarHBondContact N-OE1 3.24Å; T59-E62 WeakPolarHBondContact CB-OE2 3.21Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.32Å; T59-E62 PolarHBondContact N-OE2 3.47Å; T59-E62 WeakPolarHBondContact O-CB 3.46Å; T59-E62 PolarHBondContact O-N 3.45Å; T59-E62 VanDerWaalsContact O-N 3.07Å; T59-E62 VanDerWaalsContact OG1-CG 3.24Å; T59-E62 WeakPolarHBondContact OG1-CG 3.34Å; T59-E62 PolarHBondContact OG1-N 3.01Å; T59-E62 PolarHBondContact OG1-OE2 3.28Å; E62-F64 VanDerWaalsContact C-N 3.3Å; E62-F64 PolarHBondContact O-N 3.44Å; E62-Q65 PolarHBondContact O-N 3.39Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 2.79Å
63M95.7Very high89.3Confident0 Ų061.2 Ų61.20%031%0.307CS..Hα-helixtrans-58.7-43.2172.8-61.3174.88500111.5I58 T59 R60 L66 L67 V88 A91 F92 L95 L103 L122I58-M63 HydrophobicContact CG2-CG 3.63Å; I58-M63 HydrophobicContact CG2-SD 4.41Å; T59-M63 WeakPolarHBondContact O-CG 3.38Å; T59-M63 PolarHBondContact O-N 3.44Å; R60-M63 PolarHBondContact O-N 3.32Å; M63-L66 PolarHBondContact O-N 3.1Å; M63-L67 WeakPolarHBondContact O-CB 3.11Å; M63-L67 WeakPolarHBondContact O-CG 3.34Å; M63-L67 PolarHBondContact O-N 3.3Å; M63-V88 HydrophobicContact CB-CG1 4.01Å; M63-V88 HydrophobicContact CB-CG2 4.06Å; M63-V88 HydrophobicContact SD-CG1 4.4Å; M63-A91 HydrophobicContact CE-CB 3.46Å; M63-A91 VanDerWaalsContact CE-CB 3.46Å; M63-F92 HydrophobicContact CE-CB 4.31Å; M63-F92 HydrophobicContact SD-CB 4.22Å; M63-F92 HydrophobicContact SD-CD2 3.71Å; M63-F92 HydrophobicContact SD-CG 4.48Å; M63-L95 HydrophobicContact CE-CD1 3.99Å; M63-L103 HydrophobicContact CE-CD2 4.48Å; M63-L103 HydrophobicContact SD-CD2 4.32Å; M63-L122 HydrophobicContact CB-CD1 4.37Å; M63-L122 HydrophobicContact CB-CD2 3.99Å; M63-L122 HydrophobicContact CE-CD1 4.34Å; M63-L122 HydrophobicContact CE-CD2 3.71Å; M63-L122 HydrophobicContact CG-CD1 3.78Å; M63-L122 HydrophobicContact CG-CD2 4.04Å
64F94.4Very high87.6Confident24 Ų2464.1 Ų64.111%0.10532%0.317CS..Hα-helixtrans-60.9-46.2177.5-179.4-93.2000111.1R60 E61 E62 K68 D81 I84 R85 V88R60-F64 WeakPolarHBondContact O-CB 3.34Å; R60-F64 PolarHBondContact O-N 3.41Å; E61-F64 WeakPolarHBondContact O-CB 3.46Å; E61-F64 PolarHBondContact O-N 3.17Å; E62-F64 VanDerWaalsContact C-N 3.3Å; E62-F64 PolarHBondContact O-N 3.44Å; F64-K68 HydrophobicContact CD1-CD 4.42Å; F64-K68 HydrophobicContact CE1-CD 3.56Å; F64-K68 HydrophobicContact CZ-CD 3.82Å; F64-K68 WeakPolarHBondContact O-CB 3.49Å; F64-K68 PolarHBondContact O-N 2.93Å; F64-D81 HydrophobicContact CE2-CB 4.2Å; F64-D81 HydrophobicContact CZ-CB 3.88Å; F64-I84 HydrophobicContact CD2-CB 4.15Å; F64-I84 HydrophobicContact CD2-CG2 3.5Å; F64-I84 VanDerWaalsContact CD2-CG2 3.5Å; F64-I84 HydrophobicContact CE2-CB 3.83Å; F64-I84 HydrophobicContact CE2-CG2 3.65Å; F64-I84 HydrophobicContact CG-CG2 4.24Å; F64-R85 HydrophobicContact CD2-CG 3.95Å; F64-R85 HydrophobicContact CE2-CG 3.81Å; F64-V88 HydrophobicContact CB-CG2 3.92Å; F64-V88 HydrophobicContact CD2-CG2 4.36Å
65Q92.8Very high85.9Confident67 Ų6766.8 Ų66.831%0.31333%0.333SS..Hα-helixtrans-59.7-52.8176.6-72175.129.400111.2L52 E61 E62 L67 K68 Y69L52-Q65 HydrophobicContact CD1-CB 4.1Å; E61-Q65 WeakPolarHBondContact O-CG 3.44Å; E61-Q65 PolarHBondContact O-N 3.35Å; E61-Q65 PolarHBondContact OE1-NE2 3.36Å; E62-Q65 PolarHBondContact O-N 3.39Å; Q65-L67 PolarHBondContact O-N 3.09Å; Q65-K68 PolarHBondContact O-N 2.83Å; Q65-Y69 HydrophobicContact CB-CE2 4.09Å; Q65-Y69 WeakPolarHBondContact O-CD2 3.48Å; Q65-Y69 PolarHBondContact O-N 3.1Å; Q65-Y69 VanDerWaalsContact O-N 3.14Å
66L92.7Very high84.4Confident2 Ų266.9 Ų66.91%0.0134%0.337CS..Hα-helixtrans-55.9-48.9-179.9-70.6163.4000112.4M6 R9 Y50 L52 E62 M63 S70 L122M6-L66 HydrophobicContact SD-CD2 4.02Å; R9-L66 HydrophobicContact CG-CD2 4.36Å; Y50-L66 HydrophobicContact CD1-CD1 3.75Å; Y50-L66 HydrophobicContact CD1-CD2 4.41Å; Y50-L66 HydrophobicContact CG-CD1 4.14Å; L52-L66 HydrophobicContact CD2-CD1 4.48Å; L52-L66 HydrophobicContact CD2-CD2 4Å; L52-L66 HydrophobicContact CD2-CG 4.25Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 2.79Å; M63-L66 PolarHBondContact O-N 3.1Å; L66-S70 PolarHBondContact O-N 3.03Å; L66-L122 HydrophobicContact CB-CB 4.29Å; L66-L122 HydrophobicContact CD1-CB 4.15Å; L66-L122 HydrophobicContact CD1-CD1 3.88Å
67L91.3Very high82.8Confident17 Ų1774 Ų749%0.08937%0.367CS..Hα-helixtrans-70-38.9-179.3-70.3175.4000112.7M63 Q65 Y69 S70 L71 I84 L87 V88 L122M63-L67 WeakPolarHBondContact O-CB 3.11Å; M63-L67 WeakPolarHBondContact O-CG 3.34Å; M63-L67 PolarHBondContact O-N 3.3Å; Q65-L67 PolarHBondContact O-N 3.09Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.26Å; L67-S70 PolarHBondContact O-N 3.42Å; L67-S70 VanDerWaalsContact O-N 3.16Å; L67-L71 WeakPolarHBondContact O-CB 2.84Å; L67-L71 WeakPolarHBondContact O-CG 3.09Å; L67-L71 PolarHBondContact O-N 3.08Å; L67-I84 HydrophobicContact CB-CG2 3.93Å; L67-L87 HydrophobicContact CD1-CB 4.12Å; L67-V88 HydrophobicContact CD1-CG2 3.88Å; L67-L122 HydrophobicContact CD1-CD2 4.05Å; L67-L122 HydrophobicContact CD2-CD2 4.28Å; L67-L122 HydrophobicContact CG-CD2 4.02Å
68K88.1Confident81.4Confident64 Ų6476.5 Ų76.528%0.27838%0.383SS..Hα-helixtrans-58.7-42.9177.8-178.6162179.2160.80111.4F64 Q65 S70 V72 D81 I84F64-K68 HydrophobicContact CD1-CD 4.42Å; F64-K68 HydrophobicContact CE1-CD 3.56Å; F64-K68 HydrophobicContact CZ-CD 3.82Å; F64-K68 WeakPolarHBondContact O-CB 3.49Å; F64-K68 PolarHBondContact O-N 2.93Å; Q65-K68 PolarHBondContact O-N 2.83Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-S70 PolarHBondContact O-N 3.14Å; K68-V72 HydrophobicContact CG-CG2 4.2Å; K68-V72 VanDerWaalsContact O-CB 3.3Å; K68-V72 WeakPolarHBondContact O-CB 3.29Å; K68-V72 WeakPolarHBondContact O-CG2 3.3Å; K68-V72 PolarHBondContact O-N 3.31Å; K68-D81 VanDerWaalsContact CE-OD1 3.29Å; K68-D81 WeakPolarHBondContact CE-OD1 3.22Å; K68-D81 IonicContact NZ-OD1 2.97Å; K68-D81 PolarHBondContact NZ-OD1 2.95Å; K68-D81 IonicContact NZ-OD2 3.32Å; K68-D81 PolarHBondContact NZ-OD2 3.25Å; K68-I84 HydrophobicContact CB-CD1 3.82Å; K68-I84 HydrophobicContact CB-CG2 4.42Å; K68-I84 HydrophobicContact CD-CD1 4.38Å; K68-I84 HydrophobicContact CG-CD1 3.85Å
69Y80.5Confident80.3Confident123 Ų12381.5 Ų81.548%0.48241%0.41SS..Hα-helixtrans-71.1-28.6178.7-64.3-56.2000113.5V5 Q65 L67V5-Y69 HydrophobicContact CB-CD2 4.1Å; V5-Y69 HydrophobicContact CB-CG 4.17Å; V5-Y69 HydrophobicContact CG1-CD2 3.77Å; V5-Y69 HydrophobicContact CG1-CE2 4.38Å; V5-Y69 HydrophobicContact CG1-CG 4.34Å; V5-Y69 HydrophobicContact CG2-CD1 3.97Å; V5-Y69 HydrophobicContact CG2-CD2 3.68Å; V5-Y69 HydrophobicContact CG2-CE1 4.48Å; V5-Y69 HydrophobicContact CG2-CE2 4.23Å; V5-Y69 HydrophobicContact CG2-CG 3.55Å; Q65-Y69 HydrophobicContact CB-CE2 4.09Å; Q65-Y69 WeakPolarHBondContact O-CD2 3.48Å; Q65-Y69 PolarHBondContact O-N 3.1Å; Q65-Y69 VanDerWaalsContact O-N 3.14Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.26Å
70S75.4Confident79.6Confident34 Ų3480.9 Ų80.924%0.23841%0.407CS..Hα-helixtrans-79.3-34.5178.1-162.10000113.5D3 L66 L67 K68D3-S70 VanDerWaalsContact OD2-CA 3.26Å; D3-S70 WeakPolarHBondContact OD2-CA 3.31Å; D3-S70 WeakPolarHBondContact OD2-CB 3.42Å; D3-S70 PolarHBondContact OD2-OG 3.48Å; L66-S70 PolarHBondContact O-N 3.03Å; L67-S70 PolarHBondContact O-N 3.42Å; L67-S70 VanDerWaalsContact O-N 3.16Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-S70 PolarHBondContact O-N 3.14Å
71L74Confident79.2Confident98 Ų9877.8 Ų77.851%0.51340%0.397SS..Hα-helixtrans-94.2-33.2-173.3-60.9176.2000113.6L67 K73 I84 L87L67-L71 WeakPolarHBondContact O-CB 2.84Å; L67-L71 WeakPolarHBondContact O-CG 3.09Å; L67-L71 PolarHBondContact O-N 3.08Å; L71-K73 PolarHBondContact O-N 3.39Å; L71-I84 HydrophobicContact CD1-CG1 4.42Å; L71-L87 HydrophobicContact CD1-CD1 3.37Å
72V68.6Low78.8Confident50 Ų5077.3 Ų77.330%0.30340%0.395SS..  trans-9381.5-174.3-171.30000110.3K68 P80 I84K68-V72 HydrophobicContact CG-CG2 4.2Å; K68-V72 VanDerWaalsContact O-CB 3.3Å; K68-V72 WeakPolarHBondContact O-CB 3.29Å; K68-V72 WeakPolarHBondContact O-CG2 3.3Å; K68-V72 PolarHBondContact O-N 3.31Å; V72-P80 HydrophobicContact CG2-CB 3.91Å; V72-P80 HydrophobicContact CG2-CG 4.17Å; V72-I84 HydrophobicContact CG2-CD1 3.72Å
73K62.2Low78.5Confident138 Ų13878.6 Ų78.660%0.641%0.411SS*.SBendtrans-90.7-17.9171-67-171.5179.6-173.80113.6D3 L71D3-K73 WeakPolarHBondContact OD1-CE 3.44Å; D3-K73 IonicContact OD1-NZ 2.67Å; D3-K73 PolarHBondContact OD1-NZ 3.01Å; L71-K73 PolarHBondContact O-N 3.39Å
74Q58.5Low78.4Confident155 Ų15578.9 Ų78.972%0.72441%0.412SS*.SBendtrans-141.5136.3177.8-65.2-168.3-8.100110T76Q74-T76 PolarHBondContact O-N 2.87Å; Q74-T76 VanDerWaalsContact O-N 3.13Å
75P57.4Low78.4Confident128 Ų12882.8 Ų82.883%0.83143%0.426SS*.  trans-64114171.826.2-31.5000108.9
76T64.2Low78.4Confident87 Ų8785.5 Ų85.553%0.53444%0.439SS..  trans-87.8156166.949.80000109.8Q74 E78Q74-T76 PolarHBondContact O-N 2.87Å; Q74-T76 VanDerWaalsContact O-N 3.13Å; T76-E78 PolarHBondContact O-N 2.97Å; T76-E78 PolarHBondContact OG1-O 2.71Å
77D62.2Low78.5Confident185 Ų18588.9 Ų88.999%0.98946%0.457SS*.SBendtrans-68.9-14.2175.2-72.6-36.1000113.1
78E68.9Low78.7Confident160 Ų16088.3 Ų88.375%0.74845%0.454SS*.SBendtrans-89.2141.7173.5-62.8-178.4167.600110.2T76 P80T76-E78 PolarHBondContact O-N 2.97Å; T76-E78 PolarHBondContact OG1-O 2.71Å; E78-P80 WeakPolarHBondContact O-CD 3.38Å
79D74.2Confident79.1Confident108 Ų10889.8 Ų89.858%0.57846%0.462SS*.  trans-63.5100.4176.4-176.33.2000109.7D81D79-D81 PolarHBondContact O-N 3.4Å; D79-D81 VanDerWaalsContact O-N 3.14Å; D79-D81 VanDerWaalsContact OD1-CB 3.3Å; D79-D81 WeakPolarHBondContact OD1-CB 3.34Å; D79-D81 PolarHBondContact OD1-N 3.17Å
80P80.7Confident79.8Confident43 Ų4390 Ų9028%0.27947%0.469SS..Hα-helixtrans-68.1-17.4-174.231.8-34.4000111.3V72 E78 E82 G83 I84V72-P80 HydrophobicContact CG2-CB 3.91Å; V72-P80 HydrophobicContact CG2-CG 4.17Å; E78-P80 WeakPolarHBondContact O-CD 3.38Å; P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 PolarHBondContact O-N 2.78Å; P80-G83 PolarHBondContact O-N 3.46Å; P80-I84 HydrophobicContact CB-CD1 4.42Å; P80-I84 VanDerWaalsContact O-CD1 3.31Å; P80-I84 WeakPolarHBondContact O-CD1 3.31Å; P80-I84 VanDerWaalsContact O-CG1 3.26Å; P80-I84 WeakPolarHBondContact O-CG1 3.45Å; P80-I84 PolarHBondContact O-N 3.46Å; P80-I84 VanDerWaalsContact O-N 3.17Å
81D88.5Confident80.8Confident28 Ų2888.7 Ų88.715%0.1546%0.46CS..Hα-helixtrans-68-32.2-173.3-69-0.6000111.8F64 K68 D79 I84 R85F64-D81 HydrophobicContact CE2-CB 4.2Å; F64-D81 HydrophobicContact CZ-CB 3.88Å; K68-D81 VanDerWaalsContact CE-OD1 3.29Å; K68-D81 WeakPolarHBondContact CE-OD1 3.22Å; K68-D81 IonicContact NZ-OD1 2.97Å; K68-D81 PolarHBondContact NZ-OD1 2.95Å; K68-D81 IonicContact NZ-OD2 3.32Å; K68-D81 PolarHBondContact NZ-OD2 3.25Å; D79-D81 PolarHBondContact O-N 3.4Å; D79-D81 VanDerWaalsContact O-N 3.14Å; D79-D81 VanDerWaalsContact OD1-CB 3.3Å; D79-D81 WeakPolarHBondContact OD1-CB 3.34Å; D79-D81 PolarHBondContact OD1-N 3.17Å; D81-I84 PolarHBondContact O-N 3.12Å; D81-R85 WeakPolarHBondContact O-CG 3.45Å; D81-R85 PolarHBondContact O-N 3.38Å; D81-R85 IonicContact OD2-NH2 2.61Å
82E89.3Confident81.9Confident102 Ų10284.2 Ų84.248%0.47744%0.437SS..Hα-helixtrans-68.1-44.8179.3-167.562-172.300111.9P80 I84 R85 E86P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 PolarHBondContact O-N 2.78Å; E82-I84 VanDerWaalsContact C-N 3.27Å; E82-I84 PolarHBondContact O-N 2.98Å; E82-R85 PolarHBondContact O-N 3.28Å; E82-R85 VanDerWaalsContact O-N 3.15Å; E82-R85 IonicContact OE2-NH1 3.81Å; E82-R85 PolarHBondContact OE2-NH1 3.14Å; E82-E86 PolarHBondContact O-N 2.84Å
83G89.7Confident83.2Confident38 Ų3889.7 Ų89.739%0.39246%0.456SS..Hα-helixtrans-61.8-36.1174.600000112.3P80 E86 L87P80-G83 PolarHBondContact O-N 3.46Å; G83-E86 PolarHBondContact O-N 3.25Å; G83-L87 WeakPolarHBondContact O-CG 3.33Å; G83-L87 PolarHBondContact O-N 2.81Å; G83-L87 VanDerWaalsContact O-N 3.1Å
84I92.4Very high84.8Confident5 Ų591 Ų913%0.02646%0.457CS..Hα-helixtrans-67.9-41.3175.1-62.4157.5000110.8F64 L67 K68 L71 V72 P80 D81 E82 E86 L87 V88F64-I84 HydrophobicContact CD2-CB 4.15Å; F64-I84 HydrophobicContact CD2-CG2 3.5Å; F64-I84 VanDerWaalsContact CD2-CG2 3.5Å; F64-I84 HydrophobicContact CE2-CB 3.83Å; F64-I84 HydrophobicContact CE2-CG2 3.65Å; F64-I84 HydrophobicContact CG-CG2 4.24Å; L67-I84 HydrophobicContact CB-CG2 3.93Å; K68-I84 HydrophobicContact CB-CD1 3.82Å; K68-I84 HydrophobicContact CB-CG2 4.42Å; K68-I84 HydrophobicContact CD-CD1 4.38Å; K68-I84 HydrophobicContact CG-CD1 3.85Å; L71-I84 HydrophobicContact CD1-CG1 4.42Å; V72-I84 HydrophobicContact CG2-CD1 3.72Å; P80-I84 HydrophobicContact CB-CD1 4.42Å; P80-I84 VanDerWaalsContact O-CD1 3.31Å; P80-I84 WeakPolarHBondContact O-CD1 3.31Å; P80-I84 VanDerWaalsContact O-CG1 3.26Å; P80-I84 WeakPolarHBondContact O-CG1 3.45Å; P80-I84 PolarHBondContact O-N 3.46Å; P80-I84 VanDerWaalsContact O-N 3.17Å; D81-I84 PolarHBondContact O-N 3.12Å; E82-I84 VanDerWaalsContact C-N 3.27Å; E82-I84 PolarHBondContact O-N 2.98Å; I84-E86 VanDerWaalsContact C-N 3.32Å; I84-E86 PolarHBondContact O-N 3.14Å; I84-L87 WeakPolarHBondContact O-CB 3.35Å; I84-L87 PolarHBondContact O-N 3.16Å; I84-V88 HydrophobicContact CG2-CG2 4.37Å; I84-V88 VanDerWaalsContact O-CG2 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.27Å; I84-V88 PolarHBondContact O-N 3.25Å
85R94.3Very high86.7Confident106 Ų10683.6 Ų83.640%0.442%0.423SS..Hα-helixtrans-60.8-41175.9-73.8178.5-164.299.811.6111.9F64 D81 E82 L87 V88 E89F64-R85 HydrophobicContact CD2-CG 3.95Å; F64-R85 HydrophobicContact CE2-CG 3.81Å; D81-R85 WeakPolarHBondContact O-CG 3.45Å; D81-R85 PolarHBondContact O-N 3.38Å; D81-R85 IonicContact OD2-NH2 2.61Å; E82-R85 PolarHBondContact O-N 3.28Å; E82-R85 VanDerWaalsContact O-N 3.15Å; E82-R85 IonicContact OE2-NH1 3.81Å; E82-R85 PolarHBondContact OE2-NH1 3.14Å; R85-L87 VanDerWaalsContact C-N 3.35Å; R85-L87 PolarHBondContact O-N 3.14Å; R85-V88 WeakPolarHBondContact O-CB 3.26Å; R85-V88 PolarHBondContact O-N 2.78Å; R85-E89 PolarHBondContact O-N 2.88Å
86E94.2Very high88.6Confident125 Ų12578 Ų7858%0.58439%0.386SS*.Hα-helixtrans-60.6-44.6173.9-70-175.3173.400111.6E82 G83 I84 V88 E89 M90E82-E86 PolarHBondContact O-N 2.84Å; G83-E86 PolarHBondContact O-N 3.25Å; I84-E86 VanDerWaalsContact C-N 3.32Å; I84-E86 PolarHBondContact O-N 3.14Å; E86-V88 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 3.19Å; E86-E89 PolarHBondContact O-N 3.41Å; E86-M90 VanDerWaalsContact O-CG 3.28Å; E86-M90 WeakPolarHBondContact O-CG 3.16Å; E86-M90 PolarHBondContact O-N 3.49Å
87L93.6Very high90Very high73 Ų7377.4 Ų77.438%0.38238%0.378SS..Hα-helixtrans-62.9-39.4175.8-70.4174.1000112.5L67 L71 G83 I84 R85 M90 A91L67-L87 HydrophobicContact CD1-CB 4.12Å; L71-L87 HydrophobicContact CD1-CD1 3.37Å; G83-L87 WeakPolarHBondContact O-CG 3.33Å; G83-L87 PolarHBondContact O-N 2.81Å; G83-L87 VanDerWaalsContact O-N 3.1Å; I84-L87 WeakPolarHBondContact O-CB 3.35Å; I84-L87 PolarHBondContact O-N 3.16Å; R85-L87 VanDerWaalsContact C-N 3.35Å; R85-L87 PolarHBondContact O-N 3.14Å; L87-M90 PolarHBondContact O-N 2.85Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.02Å
88V96.2Very high91.5Very high4 Ų472.9 Ų72.92%0.02435%0.354CS..Hα-helixtrans-59.9-49.1174.7168.90000110.6R60 M63 F64 L67 I84 R85 E86 M90 A91 F92R60-V88 HydrophobicContact CB-CG1 3.9Å; R60-V88 HydrophobicContact CG-CG1 4.09Å; M63-V88 HydrophobicContact CB-CG1 4.01Å; M63-V88 HydrophobicContact CB-CG2 4.06Å; M63-V88 HydrophobicContact SD-CG1 4.4Å; F64-V88 HydrophobicContact CB-CG2 3.92Å; F64-V88 HydrophobicContact CD2-CG2 4.36Å; L67-V88 HydrophobicContact CD1-CG2 3.88Å; I84-V88 HydrophobicContact CG2-CG2 4.37Å; I84-V88 VanDerWaalsContact O-CG2 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.27Å; I84-V88 PolarHBondContact O-N 3.25Å; R85-V88 WeakPolarHBondContact O-CB 3.26Å; R85-V88 PolarHBondContact O-N 2.78Å; E86-V88 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 3.19Å; V88-M90 VanDerWaalsContact C-N 3.32Å; V88-M90 PolarHBondContact O-N 3.43Å; V88-A91 PolarHBondContact O-N 3.01Å; V88-F92 VanDerWaalsContact O-CB 3.26Å; V88-F92 WeakPolarHBondContact O-CB 3.49Å; V88-F92 PolarHBondContact O-N 2.93Å
89E96.8Very high92.7Very high95 Ų9572.2 Ų72.244%0.44435%0.351SS..Hα-helixtrans-65-37.2179-69.5-56.7140.400112.1R60 R85 E86 K93R60-E89 WeakPolarHBondContact CD-OE1 3.49Å; R60-E89 IonicContact NE-OE1 2.96Å; R60-E89 PolarHBondContact NE-OE1 3.15Å; R60-E89 IonicContact NE-OE2 3.47Å; R60-E89 PolarHBondContact NE-OE2 2.91Å; R60-E89 IonicContact NH2-OE2 3.79Å; R85-E89 PolarHBondContact O-N 2.88Å; E86-E89 PolarHBondContact O-N 3.41Å; E89-K93 VanDerWaalsContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CB 3.34Å; E89-K93 PolarHBondContact O-N 2.91Å
90M95.6Very high93.7Very high127 Ų12770.6 Ų70.663%0.62634%0.342SS*.Hα-helixtrans-63.7-45.4174.2-73.1178.365.300112.1E86 L87 V88 R94E86-M90 VanDerWaalsContact O-CG 3.28Å; E86-M90 WeakPolarHBondContact O-CG 3.16Å; E86-M90 PolarHBondContact O-N 3.49Å; L87-M90 PolarHBondContact O-N 2.85Å; V88-M90 VanDerWaalsContact C-N 3.32Å; V88-M90 PolarHBondContact O-N 3.43Å; M90-R94 VanDerWaalsContact O-CG 3.27Å; M90-R94 WeakPolarHBondContact O-CG 3.26Å; M90-R94 PolarHBondContact O-N 3.23Å
91A96.2Very high94.4Very high7 Ų770.2 Ų70.26%0.05835%0.345CS..Hα-helixtrans-66.2-45.4177.400000111M63 L87 V88 K93 R94 L95 I121 L122M63-A91 HydrophobicContact CE-CB 3.46Å; M63-A91 VanDerWaalsContact CE-CB 3.46Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.02Å; V88-A91 PolarHBondContact O-N 3.01Å; A91-K93 VanDerWaalsContact C-N 3.34Å; A91-K93 PolarHBondContact O-N 3.3Å; A91-R94 WeakPolarHBondContact O-CB 3.26Å; A91-R94 PolarHBondContact O-N 3.16Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 3.21Å; A91-L95 VanDerWaalsContact O-N 3.11Å; A91-I121 HydrophobicContact CB-CD1 3.77Å; A91-I121 HydrophobicContact CB-CG1 4.12Å; A91-L122 HydrophobicContact CB-CD2 4.41Å
92F97.1Very high94.7Very high5 Ų575.3 Ų75.32%0.02236%0.362CS..Hα-helixtrans-58.4-47.7179.5-165-81000110.7R60 M63 V88 R94 L95 D96 G101 L103R60-F92 HydrophobicContact CG-CD2 3.66Å; R60-F92 HydrophobicContact CG-CE2 4.06Å; R60-F92 HydrophobicContact CG-CG 4.26Å; R60-F92 VanDerWaalsContact NH2-CE1 3.27Å; M63-F92 HydrophobicContact CE-CB 4.31Å; M63-F92 HydrophobicContact SD-CB 4.22Å; M63-F92 HydrophobicContact SD-CD2 3.71Å; M63-F92 HydrophobicContact SD-CG 4.48Å; V88-F92 VanDerWaalsContact O-CB 3.26Å; V88-F92 WeakPolarHBondContact O-CB 3.49Å; V88-F92 PolarHBondContact O-N 2.93Å; F92-R94 PolarHBondContact O-N 2.97Å; F92-L95 PolarHBondContact O-N 3.49Å; F92-L95 VanDerWaalsContact O-N 3.08Å; F92-D96 HydrophobicContact CD1-CB 3.9Å; F92-D96 HydrophobicContact CE1-CB 3.62Å; F92-D96 WeakPolarHBondContact CE1-OD2 3.5Å; F92-D96 HydrophobicContact CZ-CB 4.35Å; F92-D96 VanDerWaalsContact O-CB 3.3Å; F92-D96 WeakPolarHBondContact O-CB 3.37Å; F92-D96 PolarHBondContact O-N 3.32Å; F92-G101 VanDerWaalsContact CZ-C 3.44Å; F92-G101 VanDerWaalsContact CZ-O 3.27Å; F92-G101 WeakPolarHBondContact CZ-O 3.35Å; F92-L103 HydrophobicContact CE2-CB 3.98Å; F92-L103 HydrophobicContact CZ-CB 4.33Å
93K96Very high95.1Very high165 Ų16570.5 Ų70.572%0.71734%0.34SS*.Hα-helixtrans-61.2-26.7177.4-176.3175.6179.9178.70114E89 A91E89-K93 VanDerWaalsContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CB 3.34Å; E89-K93 PolarHBondContact O-N 2.91Å; A91-K93 VanDerWaalsContact C-N 3.34Å; A91-K93 PolarHBondContact O-N 3.3Å
94R95.6Very high95.4Very high164 Ų16470.7 Ų70.762%0.61933%0.332SS*.Hα-helixtrans-82.3-24177.5-72.2-72.6-169.3148.54.6112.9M90 A91 F92 L118M90-R94 VanDerWaalsContact O-CG 3.27Å; M90-R94 WeakPolarHBondContact O-CG 3.26Å; M90-R94 PolarHBondContact O-N 3.23Å; A91-R94 WeakPolarHBondContact O-CB 3.26Å; A91-R94 PolarHBondContact O-N 3.16Å; F92-R94 PolarHBondContact O-N 2.97Å; R94-L118 HydrophobicContact CB-CD2 4.44Å
95L97.3Very high95.7Very high0 Ų073.3 Ų73.30%034%0.342CS..Hα-helixtrans-102.6-31.9-174-63.7174000112.8M63 A91 F92 M97 L103 D107 F108 A111 L118 I121M63-L95 HydrophobicContact CE-CD1 3.99Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 3.21Å; A91-L95 VanDerWaalsContact O-N 3.11Å; F92-L95 PolarHBondContact O-N 3.49Å; F92-L95 VanDerWaalsContact O-N 3.08Å; L95-M97 WeakPolarHBondContact O-CG 3.36Å; L95-M97 PolarHBondContact O-N 3.06Å; L95-L103 HydrophobicContact CB-CD1 3.64Å; L95-L103 HydrophobicContact CB-CD2 3.9Å; L95-L103 HydrophobicContact CB-CG 4.42Å; L95-L103 HydrophobicContact CD1-CD2 3.66Å; L95-L103 HydrophobicContact CG-CD2 4.45Å; L95-D107 WeakPolarHBondContact O-CB 3.45Å; L95-F108 HydrophobicContact CD1-CD2 4.31Å; L95-F108 HydrophobicContact CD2-CD2 3.9Å; L95-F108 HydrophobicContact CD2-CE2 4.18Å; L95-A111 HydrophobicContact CD2-CB 3.82Å; L95-L118 HydrophobicContact CD2-CB 4.19Å; L95-L118 HydrophobicContact CD2-CD1 4.28Å; L95-I121 HydrophobicContact CD1-CG2 3.88Å; L95-I121 HydrophobicContact CD2-CG2 4.34Å
96D97Very high95.8Very high12 Ų1271.6 Ų71.66%0.06434%0.343CS..  trans-7386.9176.2178.96.2000110.2F92 H99 D100 G101F92-D96 HydrophobicContact CD1-CB 3.9Å; F92-D96 HydrophobicContact CE1-CB 3.62Å; F92-D96 WeakPolarHBondContact CE1-OD2 3.5Å; F92-D96 HydrophobicContact CZ-CB 4.35Å; F92-D96 VanDerWaalsContact O-CB 3.3Å; F92-D96 WeakPolarHBondContact O-CB 3.37Å; F92-D96 PolarHBondContact O-N 3.32Å; D96-H99 PolarHBondContact O-CE1 2.79Å; D96-H99 VanDerWaalsContact O-CE1 3.26Å; D96-H99 PolarHBondContact O-ND1 3.33Å; D96-H99 WeakPolarHBondContact OD1-CA 3.42Å; D96-H99 PolarHBondContact OD1-N 2.98Å; D96-H99 WeakPolarHBondContact OD2-CA 3.32Å; D96-D100 PolarHBondContact OD1-N 3.32Å; D96-G101 WeakPolarHBondContact OD2-CA 3.19Å; D96-G101 PolarHBondContact OD2-N 3.22Å; D96-G101 VanDerWaalsContact OD2-N 3.13Å
97M94.7Very high96Very high73 Ų7365.8 Ų65.836%0.3632%0.317SS..SBendtrans-76.2-32.6-172.3-67.3-55.7-66.500113.5L95 D107 Q110 A111L95-M97 WeakPolarHBondContact O-CG 3.36Å; L95-M97 PolarHBondContact O-N 3.06Å; M97-D107 WeakPolarHBondContact CG-O 3.48Å; M97-Q110 HydrophobicContact CG-CB 4.09Å; M97-A111 HydrophobicContact CG-CB 4.08Å; M97-A111 HydrophobicContact SD-CB 3.92Å
98D94.4Very high96.2Very high91 Ų9162.3 Ų62.349%0.48730%0.298SS..SBendtrans-94.2-6.8178.876.4-0.5000113.6D100D98-D100 VanDerWaalsContact C-N 3.26Å; D98-D100 PolarHBondContact O-N 2.92Å; D98-D100 VanDerWaalsContact OD1-CB 3.31Å; D98-D100 WeakPolarHBondContact OD1-CB 3.45Å; D98-D100 PolarHBondContact OD1-N 2.87Å
99H94Very high96.3Very high146 Ų14664.3 Ų64.368%0.67631%0.308SS*.  trans61.730178.3-53.8-40000113.3D96 G101D96-H99 PolarHBondContact O-CE1 2.79Å; D96-H99 VanDerWaalsContact O-CE1 3.26Å; D96-H99 PolarHBondContact O-ND1 3.33Å; D96-H99 WeakPolarHBondContact OD1-CA 3.42Å; D96-H99 PolarHBondContact OD1-N 2.98Å; D96-H99 WeakPolarHBondContact OD2-CA 3.32Å; H99-G101 PolarHBondContact O-N 3.47Å
100D95Very high96.4Very high74 Ų7464.1 Ų64.140%0.39631%0.306SS..SBendtrans-80.7-5176.592-17.1000113.2D96 D98 R102D96-D100 PolarHBondContact OD1-N 3.32Å; D98-D100 VanDerWaalsContact C-N 3.26Å; D98-D100 PolarHBondContact O-N 2.92Å; D98-D100 VanDerWaalsContact OD1-CB 3.31Å; D98-D100 WeakPolarHBondContact OD1-CB 3.45Å; D98-D100 PolarHBondContact OD1-N 2.87Å; D100-R102 VanDerWaalsContact C-N 3.33Å; D100-R102 VanDerWaalsContact OD1-CA 3.3Å; D100-R102 WeakPolarHBondContact OD1-CA 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.45Å; D100-R102 PolarHBondContact OD1-N 3.37Å; D100-R102 WeakPolarHBondContact OD2-CD 3.36Å
101G94.3Very high96.5Very high34 Ų3458.1 Ų58.135%0.35128%0.277SS..SBendtrans81.212-179.400000113.8R60 F92 D96 H99R60-G101 PolarHBondContact NH1-O 3.07Å; F92-G101 VanDerWaalsContact CZ-C 3.44Å; F92-G101 VanDerWaalsContact CZ-O 3.27Å; F92-G101 WeakPolarHBondContact CZ-O 3.35Å; D96-G101 WeakPolarHBondContact OD2-CA 3.19Å; D96-G101 PolarHBondContact OD2-N 3.22Å; D96-G101 VanDerWaalsContact OD2-N 3.13Å; H99-G101 PolarHBondContact O-N 3.47Å
102R94.5Very high96.6Very high135 Ų13557.8 Ų57.851%0.50927%0.274SS..  trans-122.7159.7173.6-53.7167.5165.5164.93.1108.7D100D100-R102 VanDerWaalsContact C-N 3.33Å; D100-R102 VanDerWaalsContact OD1-CA 3.3Å; D100-R102 WeakPolarHBondContact OD1-CA 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.45Å; D100-R102 PolarHBondContact OD1-N 3.37Å; D100-R102 WeakPolarHBondContact OD2-CD 3.36Å
103L97.3Very high96.6Very high1 Ų162.7 Ų62.71%0.00530%0.297CS..  trans-127.298.5176.8171.656.4000107.2R57 I58 M63 F92 L95 D107 F108R57-L103 CarbonylContact C-O 3.05Å; R57-L103 VanDerWaalsContact CA-O 3.29Å; R57-L103 WeakPolarHBondContact CA-O 3.33Å; I58-L103 HydrophobicContact CB-CD2 3.84Å; I58-L103 HydrophobicContact CB-CG 4.06Å; I58-L103 HydrophobicContact CD1-CD2 4.39Å; I58-L103 HydrophobicContact CG2-CD2 4.09Å; I58-L103 PolarHBondContact N-O 3.43Å; I58-L103 WeakPolarHBondContact O-CB 3.18Å; M63-L103 HydrophobicContact CE-CD2 4.48Å; M63-L103 HydrophobicContact SD-CD2 4.32Å; F92-L103 HydrophobicContact CE2-CB 3.98Å; F92-L103 HydrophobicContact CZ-CB 4.33Å; L95-L103 HydrophobicContact CB-CD1 3.64Å; L95-L103 HydrophobicContact CB-CD2 3.9Å; L95-L103 HydrophobicContact CB-CG 4.42Å; L95-L103 HydrophobicContact CD1-CD2 3.66Å; L95-L103 HydrophobicContact CG-CD2 4.45Å; L103-D107 HydrophobicContact CD1-CB 3.84Å; L103-F108 HydrophobicContact CD1-CB 4.15Å
104N97.4Very high96.6Very high42 Ų4261.3 Ų61.323%0.22530%0.298CS..BIsolated β-bridgetrans-99175.4176.271.762.3000110.6T106 D107 F108N104-T106 VanDerWaalsContact C-N 3.26Å; N104-T106 PolarHBondContact O-N 3.35Å; N104-T106 WeakPolarHBondContact OD1-CA 3.01Å; N104-T106 WeakPolarHBondContact OD1-CB 3.35Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-D107 PolarHBondContact N-OD2 2.89Å; N104-D107 PolarHBondContact ND2-OD2 3.35Å; N104-D107 PolarHBondContact O-N 3.47Å; N104-D107 PolarHBondContact OD1-N 3.35Å; N104-D107 PolarHBondContact OD1-OD2 2.9Å; N104-F108 PolarHBondContact O-N 2.91Å; N104-F108 VanDerWaalsContact O-N 3.14Å
105Y97.8Very high96.7Very high60 Ų6056 Ų5624%0.23528%0.282CS..Hα-helixtrans-57-37.8-179.5176-105.1000113.6I43 K44 F47 F108 Q109I43-Y105 HydrophobicContact CG2-CE2 3.95Å; K44-Y105 HydrophobicContact CB-CE2 4.12Å; K44-Y105 HydrophobicContact CD-CD2 4.07Å; K44-Y105 HydrophobicContact CD-CE2 3.62Å; K44-Y105 HydrophobicContact CG-CE2 4.49Å; F47-Y105 HydrophobicContact CB-CD2 4.03Å; F47-Y105 HydrophobicContact CB-CE2 4.43Å; F47-Y105 HydrophobicContact CD1-CD2 4.1Å; F47-Y105 HydrophobicContact CD2-CD2 4.13Å; F47-Y105 VanDerWaalsContact CE2-CA 3.47Å; F47-Y105 AromaticContact CG-CD2 3.81Å; F47-Y105 HydrophobicContact CG-CD2 3.81Å; Y105-F108 PolarHBondContact O-N 3.46Å; Y105-Q109 HydrophobicContact CE1-CB 4.5Å; Y105-Q109 VanDerWaalsContact O-CB 3.28Å; Y105-Q109 WeakPolarHBondContact O-CB 3.37Å; Y105-Q109 PolarHBondContact O-N 3.01Å
106T97.7Very high96.6Very high70 Ų7059 Ų5943%0.42931%0.307SS..Hα-helixtrans-67.3-41.2-178.7-56.80000111.2N104 Q109 Q110N104-T106 VanDerWaalsContact C-N 3.26Å; N104-T106 PolarHBondContact O-N 3.35Å; N104-T106 WeakPolarHBondContact OD1-CA 3.01Å; N104-T106 WeakPolarHBondContact OD1-CB 3.35Å; N104-T106 PolarHBondContact OD1-N 2.93Å; T106-Q109 PolarHBondContact O-N 3.42Å; T106-Q110 HydrophobicContact CG2-CG 4.48Å; T106-Q110 WeakPolarHBondContact O-CB 3.37Å; T106-Q110 VanDerWaalsContact O-CG 3.3Å; T106-Q110 WeakPolarHBondContact O-CG 3.47Å; T106-Q110 PolarHBondContact O-N 3.5Å
107D98Very high96.4Very high4 Ų465.5 Ų65.52%0.02134%0.341CS..Hα-helixtrans-63.1-47.8176.9-52.4-45.2000110.4L95 M97 L103 N104 Q109 Q110 A111L95-D107 WeakPolarHBondContact O-CB 3.45Å; M97-D107 WeakPolarHBondContact CG-O 3.48Å; L103-D107 HydrophobicContact CD1-CB 3.84Å; N104-D107 PolarHBondContact N-OD2 2.89Å; N104-D107 PolarHBondContact ND2-OD2 3.35Å; N104-D107 PolarHBondContact O-N 3.47Å; N104-D107 PolarHBondContact OD1-N 3.35Å; N104-D107 PolarHBondContact OD1-OD2 2.9Å; D107-Q109 PolarHBondContact O-N 3.17Å; D107-Q110 PolarHBondContact O-N 2.85Å; D107-A111 WeakPolarHBondContact O-CB 3.47Å; D107-A111 PolarHBondContact O-N 3.36Å
108F98Very high96.5Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-61.1-46.1178-173.9-108.4000111.9I43 A46 F47 Y50 L95 L103 N104 Y105 A111 V112I43-F108 HydrophobicContact CG2-CD1 3.99Å; I43-F108 HydrophobicContact CG2-CE1 4.24Å; A46-F108 HydrophobicContact CB-CE1 4.17Å; A46-F108 HydrophobicContact CB-CZ 4.25Å; F47-F108 HydrophobicContact CB-CD1 3.92Å; F47-F108 HydrophobicContact CB-CE1 4.16Å; F47-F108 HydrophobicContact CD2-CB 3.75Å; F47-F108 AromaticContact CD2-CD1 3.81Å; F47-F108 HydrophobicContact CD2-CD1 3.81Å; F47-F108 AromaticContact CD2-CG 3.88Å; F47-F108 HydrophobicContact CD2-CG 3.88Å; F47-F108 HydrophobicContact CE2-CB 4.14Å; F47-F108 HydrophobicContact CG-CD1 4.37Å; Y50-F108 HydrophobicContact CD2-CE2 4.33Å; Y50-F108 HydrophobicContact CD2-CZ 4.14Å; Y50-F108 HydrophobicContact CE2-CE2 4.3Å; Y50-F108 AromaticContact CE2-CZ 4Å; Y50-F108 HydrophobicContact CE2-CZ 4Å; L95-F108 HydrophobicContact CD1-CD2 4.31Å; L95-F108 HydrophobicContact CD2-CD2 3.9Å; L95-F108 HydrophobicContact CD2-CE2 4.18Å; L103-F108 HydrophobicContact CD1-CB 4.15Å; N104-F108 PolarHBondContact O-N 2.91Å; N104-F108 VanDerWaalsContact O-N 3.14Å; Y105-F108 PolarHBondContact O-N 3.46Å; F108-A111 PolarHBondContact O-N 3.23Å; F108-V112 HydrophobicContact CD1-CG2 4.41Å; F108-V112 HydrophobicContact CD2-CG2 4.39Å; F108-V112 HydrophobicContact CE1-CG2 4.09Å; F108-V112 HydrophobicContact CE2-CG2 4.05Å; F108-V112 HydrophobicContact CZ-CG2 3.89Å; F108-V112 VanDerWaalsContact O-CG2 3.29Å; F108-V112 WeakPolarHBondContact O-CG2 3.26Å; F108-V112 PolarHBondContact O-N 3.21Å
109Q98.1Very high96.6Very high46 Ų4659.6 Ų59.622%0.21531%0.31CS..Hα-helixtrans-58.5-51.2177178.2-178.3-11.600111.3I43 Y105 T106 D107 A111 V112 E113I43-Q109 HydrophobicContact CD1-CG 4.32Å; I43-Q109 HydrophobicContact CG2-CB 3.91Å; I43-Q109 HydrophobicContact CG2-CG 4.2Å; Y105-Q109 HydrophobicContact CE1-CB 4.5Å; Y105-Q109 VanDerWaalsContact O-CB 3.28Å; Y105-Q109 WeakPolarHBondContact O-CB 3.37Å; Y105-Q109 PolarHBondContact O-N 3.01Å; T106-Q109 PolarHBondContact O-N 3.42Å; D107-Q109 PolarHBondContact O-N 3.17Å; Q109-A111 VanDerWaalsContact C-N 3.33Å; Q109-A111 PolarHBondContact O-N 3.5Å; Q109-V112 PolarHBondContact O-N 3.3Å; Q109-E113 HydrophobicContact CG-CG 4.35Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.3Å; Q109-E113 PolarHBondContact NE2-OE1 3.32Å; Q109-E113 WeakPolarHBondContact O-CB 3.35Å; Q109-E113 VanDerWaalsContact O-CG 3.32Å; Q109-E113 WeakPolarHBondContact O-CG 3.27Å; Q109-E113 PolarHBondContact O-N 2.99Å
110Q97.7Very high96.7Very high90 Ų9056.1 Ų56.142%0.42129%0.294SS..Hα-helixtrans-61.8-41.5-179.5-73.9178.613.600112M97 T106 D107 E113 D114M97-Q110 HydrophobicContact CG-CB 4.09Å; T106-Q110 HydrophobicContact CG2-CG 4.48Å; T106-Q110 WeakPolarHBondContact O-CB 3.37Å; T106-Q110 VanDerWaalsContact O-CG 3.3Å; T106-Q110 WeakPolarHBondContact O-CG 3.47Å; T106-Q110 PolarHBondContact O-N 3.5Å; D107-Q110 PolarHBondContact O-N 2.85Å; Q110-E113 PolarHBondContact O-N 3.47Å; Q110-D114 WeakPolarHBondContact O-CB 3.06Å; Q110-D114 PolarHBondContact O-N 2.88Å
111A98Very high96.6Very high1 Ų154.7 Ų54.71%0.00829%0.286CS..Hα-helixtrans-62.3-44.5177.600000111.7L95 M97 D107 F108 Q109 D114 N115 L118L95-A111 HydrophobicContact CD2-CB 3.82Å; M97-A111 HydrophobicContact CG-CB 4.08Å; M97-A111 HydrophobicContact SD-CB 3.92Å; D107-A111 WeakPolarHBondContact O-CB 3.47Å; D107-A111 PolarHBondContact O-N 3.36Å; F108-A111 PolarHBondContact O-N 3.23Å; Q109-A111 VanDerWaalsContact C-N 3.33Å; Q109-A111 PolarHBondContact O-N 3.5Å; A111-D114 PolarHBondContact O-N 3.02Å; A111-N115 PolarHBondContact O-N 3.15Å; A111-L118 HydrophobicContact CB-CD1 3.97Å; A111-L118 WeakPolarHBondContact O-CD1 3.44Å
112V97.9Very high96.6Very high0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-70.9-34.9178.9178.80000112.1L39 I43 F108 Q109 N115 A116 L118 L119L39-V112 HydrophobicContact CD1-CG1 4.23Å; I43-V112 HydrophobicContact CD1-CB 4.01Å; I43-V112 HydrophobicContact CD1-CG1 3.84Å; I43-V112 HydrophobicContact CG1-CB 3.97Å; I43-V112 HydrophobicContact CG1-CG1 3.64Å; F108-V112 HydrophobicContact CD1-CG2 4.41Å; F108-V112 HydrophobicContact CD2-CG2 4.39Å; F108-V112 HydrophobicContact CE1-CG2 4.09Å; F108-V112 HydrophobicContact CE2-CG2 4.05Å; F108-V112 HydrophobicContact CZ-CG2 3.89Å; F108-V112 VanDerWaalsContact O-CG2 3.29Å; F108-V112 WeakPolarHBondContact O-CG2 3.26Å; F108-V112 PolarHBondContact O-N 3.21Å; Q109-V112 PolarHBondContact O-N 3.3Å; V112-N115 CarbonylContact O-C 3.58Å; V112-N115 PolarHBondContact O-N 2.94Å; V112-A116 VanDerWaalsContact O-CA 3.3Å; V112-A116 WeakPolarHBondContact O-CA 3.27Å; V112-A116 PolarHBondContact O-N 3.26Å; V112-L118 HydrophobicContact CG2-CB 4.13Å; V112-L119 HydrophobicContact CG1-CB 3.88Å; V112-L119 HydrophobicContact CG1-CD1 4.19Å
113E97.2Very high96.5Very high108 Ų10847.1 Ų47.151%0.50525%0.25SS..Hα-helixtrans-65.5-37.5173.7-75.5176.7179.500112.2I43 Q109 Q110I43-E113 HydrophobicContact CD1-CG 4.14Å; Q109-E113 HydrophobicContact CG-CG 4.35Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.3Å; Q109-E113 PolarHBondContact NE2-OE1 3.32Å; Q109-E113 WeakPolarHBondContact O-CB 3.35Å; Q109-E113 VanDerWaalsContact O-CG 3.32Å; Q109-E113 WeakPolarHBondContact O-CG 3.27Å; Q109-E113 PolarHBondContact O-N 2.99Å; Q110-E113 PolarHBondContact O-N 3.47Å
114D96.8Very high96.2Very high136 Ų13651 Ų5173%0.72727%0.268SS*.Hα-helixtrans-69.2-41.3172.3-177.572.2000111.7Q110 A111Q110-D114 WeakPolarHBondContact O-CB 3.06Å; Q110-D114 PolarHBondContact O-N 2.88Å; A111-D114 PolarHBondContact O-N 3.02Å
115N96.8Very high95.9Very high53 Ų5349.1 Ų49.128%0.28326%0.258SS..  trans-142.1101.3179.3-178.15000112.3A111 V112 L117 L118A111-N115 PolarHBondContact O-N 3.15Å; V112-N115 CarbonylContact O-C 3.58Å; V112-N115 PolarHBondContact O-N 2.94Å; N115-L117 PolarHBondContact O-N 3.48Å; N115-L117 WeakPolarHBondContact OD1-CB 3.38Å; N115-L117 PolarHBondContact OD1-N 3.14Å; N115-L117 VanDerWaalsContact OD1-N 3.16Å; N115-L118 HydrophobicContact CB-CD1 4.06Å; N115-L118 HydrophobicContact CB-CG 4.11Å; N115-L118 WeakPolarHBondContact O-CB 3.27Å; N115-L118 WeakPolarHBondContact O-CG 3.49Å; N115-L118 PolarHBondContact O-N 3.34Å
116A95Very high95.7Very high63 Ų6346.7 Ų46.752%0.52125%0.249SC..G310 helixtrans-58.5-19.6-178.200000114.5V112 L118 L119V112-A116 VanDerWaalsContact O-CA 3.3Å; V112-A116 WeakPolarHBondContact O-CA 3.27Å; V112-A116 PolarHBondContact O-N 3.26Å; A116-L118 PolarHBondContact O-N 2.96Å; A116-L119 WeakPolarHBondContact O-CB 3.36Å; A116-L119 PolarHBondContact O-N 3.18Å
117L94.4Very high95.4Very high149 Ų14944.8 Ų44.878%0.7824%0.238SC*.G310 helixtrans-67.7-17.7175.3-62.1176.9000113N115 L119N115-L117 PolarHBondContact O-N 3.48Å; N115-L117 WeakPolarHBondContact OD1-CB 3.38Å; N115-L117 PolarHBondContact OD1-N 3.14Å; N115-L117 VanDerWaalsContact OD1-N 3.16Å; L117-L119 PolarHBondContact O-N 3.29Å
118L96.7Very high95.1Very high20 Ų2048.2 Ų48.211%0.10526%0.256CS..G310 helixtrans-77.1-10.2178.5-59.3179.1000113R94 L95 A111 V112 N115 A116 E120 I121R94-L118 HydrophobicContact CB-CD2 4.44Å; L95-L118 HydrophobicContact CD2-CB 4.19Å; L95-L118 HydrophobicContact CD2-CD1 4.28Å; A111-L118 HydrophobicContact CB-CD1 3.97Å; A111-L118 WeakPolarHBondContact O-CD1 3.44Å; V112-L118 HydrophobicContact CG2-CB 4.13Å; N115-L118 HydrophobicContact CB-CD1 4.06Å; N115-L118 HydrophobicContact CB-CG 4.11Å; N115-L118 WeakPolarHBondContact O-CB 3.27Å; N115-L118 WeakPolarHBondContact O-CG 3.49Å; N115-L118 PolarHBondContact O-N 3.34Å; A116-L118 PolarHBondContact O-N 2.96Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 2.96Å; L118-I121 HydrophobicContact CD2-CD1 3.65Å; L118-I121 WeakPolarHBondContact O-CB 3.23Å; L118-I121 WeakPolarHBondContact O-CG2 3.37Å; L118-I121 PolarHBondContact O-N 2.94Å
119L96.9Very high94.6Very high20 Ų2056 Ų5611%0.10529%0.292CS..G310 helixtrans-57.1-40.5-178.317963.7000112.7K42 I43 A46 Y50 V112 A116 L117 F126K42-L119 HydrophobicContact CB-CD1 4.36Å; K42-L119 HydrophobicContact CB-CD2 4.14Å; K42-L119 HydrophobicContact CD-CD2 4.43Å; I43-L119 HydrophobicContact CG1-CD1 4.16Å; A46-L119 HydrophobicContact CB-CD1 3.77Å; Y50-L119 PolarHBondContact OH-O 3.46Å; V112-L119 HydrophobicContact CG1-CB 3.88Å; V112-L119 HydrophobicContact CG1-CD1 4.19Å; A116-L119 WeakPolarHBondContact O-CB 3.36Å; A116-L119 PolarHBondContact O-N 3.18Å; L117-L119 PolarHBondContact O-N 3.29Å; L119-F126 HydrophobicContact CD1-CE2 4.27Å; L119-F126 HydrophobicContact CD2-CD2 4.24Å; L119-F126 HydrophobicContact CD2-CE2 3.95Å; L119-F126 HydrophobicContact CG-CE2 4.08Å
120E94.3Very high94.3Very high72 Ų7261.3 Ų61.334%0.33632%0.317SS..G310 helixtrans-110.127.1-177.6-62.7-169102.800112.2Y50 L118 L122 G123 Q124 C125 F126Y50-E120 VanDerWaalsContact OH-C 3.27Å; Y50-E120 VanDerWaalsContact OH-CA 3.22Å; Y50-E120 WeakPolarHBondContact OH-CA 3.35Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 2.96Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 2.77Å; E120-G123 CarbonylContact O-C 3.59Å; E120-G123 PolarHBondContact O-N 3.01Å; E120-G123 VanDerWaalsContact O-N 3.12Å; E120-Q124 WeakPolarHBondContact OE1-CA 3.48Å; E120-C125 PolarHBondContact OE1-N 2.77Å; E120-F126 HydrophobicContact CG-CD2 4.11Å; E120-F126 PolarHBondContact OE1-N 2.86Å
121I94.7Very high94Very high45 Ų4561 Ų6123%0.23132%0.321CS..THydrogen-bonded Turntrans-61.1-30.3-172.1-173.9164000114.1A91 L95 L118A91-I121 HydrophobicContact CB-CD1 3.77Å; A91-I121 HydrophobicContact CB-CG1 4.12Å; L95-I121 HydrophobicContact CD1-CG2 3.88Å; L95-I121 HydrophobicContact CD2-CG2 4.34Å; L118-I121 HydrophobicContact CD2-CD1 3.65Å; L118-I121 WeakPolarHBondContact O-CB 3.23Å; L118-I121 WeakPolarHBondContact O-CG2 3.37Å; L118-I121 PolarHBondContact O-N 2.94Å
122L93.6Very high93.7Very high1 Ų161.6 Ų61.61%0.00533%0.326CS..THydrogen-bonded Turntrans-97.72-180-58.6176.1000113.4Y50 I58 M63 L66 L67 A91 E120Y50-L122 HydrophobicContact CD1-CB 3.92Å; Y50-L122 HydrophobicContact CD1-CD1 4.31Å; Y50-L122 HydrophobicContact CD2-CB 4.35Å; Y50-L122 HydrophobicContact CD2-CD1 3.95Å; Y50-L122 HydrophobicContact CD2-CG 4.42Å; Y50-L122 HydrophobicContact CE1-CB 3.64Å; Y50-L122 HydrophobicContact CE2-CB 4.1Å; Y50-L122 HydrophobicContact CE2-CD1 4.4Å; Y50-L122 HydrophobicContact CE2-CG 4.39Å; Y50-L122 HydrophobicContact CG-CB 4.27Å; Y50-L122 HydrophobicContact CG-CD1 3.89Å; Y50-L122 PolarHBondContact OH-N 3.26Å; I58-L122 HydrophobicContact CG2-CD1 4.09Å; M63-L122 HydrophobicContact CB-CD1 4.37Å; M63-L122 HydrophobicContact CB-CD2 3.99Å; M63-L122 HydrophobicContact CE-CD1 4.34Å; M63-L122 HydrophobicContact CE-CD2 3.71Å; M63-L122 HydrophobicContact CG-CD1 3.78Å; M63-L122 HydrophobicContact CG-CD2 4.04Å; L66-L122 HydrophobicContact CB-CB 4.29Å; L66-L122 HydrophobicContact CD1-CB 4.15Å; L66-L122 HydrophobicContact CD1-CD1 3.88Å; L67-L122 HydrophobicContact CD1-CD2 4.05Å; L67-L122 HydrophobicContact CD2-CD2 4.28Å; L67-L122 HydrophobicContact CG-CD2 4.02Å; A91-L122 HydrophobicContact CB-CD2 4.41Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 2.77Å
123G91.7Very high93.2Very high9 Ų965.5 Ų65.59%0.09335%0.35CS..SBendtrans144.3157.1-179.700000112.4Y50 E120 C125Y50-G123 PolarHBondContact OH-N 3.07Å; Y50-G123 PolarHBondContact OH-O 3.32Å; E120-G123 CarbonylContact O-C 3.59Å; E120-G123 PolarHBondContact O-N 3.01Å; E120-G123 VanDerWaalsContact O-N 3.12Å; G123-C125 PolarHBondContact O-N 3.33Å; G123-C125 VanDerWaalsContact O-N 3.14Å
124Q90.8Very high92.9Very high83 Ų8363 Ų6339%0.38835%0.348SS..  trans-68.7107179.4-179172.946.800111M6 E120 F126M6-Q124 WeakPolarHBondContact CE-O 3.38Å; E120-Q124 WeakPolarHBondContact OE1-CA 3.48Å; Q124-F126 VanDerWaalsContact CG-O 3.27Å; Q124-F126 WeakPolarHBondContact CG-O 2.91Å; Q124-F126 PolarHBondContact NE2-O 3.22Å
125C91.1Very high92.6Very high1 Ų159.9 Ų59.91%0.00733%0.328CS..  trans-92.7-25176.8-61.10000112M6 I10 F34 Y50 E120 G123M6-C125 HydrophobicContact CE-CB 4.34Å; M6-C125 WeakPolarHBondContact CE-SG 3.31Å; I10-C125 WeakPolarHBondContact CD1-O 3.29Å; F34-C125 WeakPolarHBondContact CE2-O 3.28Å; Y50-C125 WeakPolarHBondContact CE1-SG 3.41Å; Y50-C125 PolarHBondContact OH-SG 2.9Å; Y50-C125 VanDerWaalsContact OH-SG 3.4Å; E120-C125 PolarHBondContact OE1-N 2.77Å; G123-C125 PolarHBondContact O-N 3.33Å; G123-C125 VanDerWaalsContact O-N 3.14Å
126F93.8Very high92.2Very high9 Ų959.2 Ų59.24%0.03932%0.324CS..SBendtrans-116.4151.9-171.2-63.1-74.4000111.8F34 K42 F45 A46 L119 E120 Q124F34-F126 HydrophobicContact CD2-CD1 4.18Å; K42-F126 HydrophobicContact CB-CE1 4.34Å; K42-F126 HydrophobicContact CB-CE2 4.15Å; K42-F126 HydrophobicContact CB-CZ 3.73Å; K42-F126 HydrophobicContact CD-CE1 4.47Å; K42-F126 HydrophobicContact CD-CZ 4.44Å; K42-F126 HydrophobicContact CG-CE1 3.92Å; K42-F126 HydrophobicContact CG-CE2 4.41Å; K42-F126 HydrophobicContact CG-CZ 3.82Å; K42-F126 WeakPolarHBondContact O-CZ 3.45Å; F45-F126 HydrophobicContact CB-CE1 4.48Å; F45-F126 HydrophobicContact CB-CZ 4.16Å; F45-F126 AromaticContact CD1-CE1 3.61Å; F45-F126 HydrophobicContact CD1-CE1 3.61Å; F45-F126 AromaticContact CD1-CZ 3.6Å; F45-F126 HydrophobicContact CD1-CZ 3.6Å; F45-F126 HydrophobicContact CE1-CE1 4.17Å; F45-F126 HydrophobicContact CE1-CZ 4.46Å; F45-F126 HydrophobicContact CG-CE1 4.18Å; F45-F126 HydrophobicContact CG-CZ 4.2Å; A46-F126 HydrophobicContact CB-CE2 4.16Å; L119-F126 HydrophobicContact CD1-CE2 4.27Å; L119-F126 HydrophobicContact CD2-CD2 4.24Å; L119-F126 HydrophobicContact CD2-CE2 3.95Å; L119-F126 HydrophobicContact CG-CE2 4.08Å; E120-F126 HydrophobicContact CG-CD2 4.11Å; E120-F126 PolarHBondContact OE1-N 2.86Å; Q124-F126 VanDerWaalsContact CG-O 3.27Å; Q124-F126 WeakPolarHBondContact CG-O 2.91Å; Q124-F126 PolarHBondContact NE2-O 3.22Å
127P91.9Very high91.8Very high31 Ų3158.3 Ų58.320%0.20131%0.314CS..  trans-69.8146.8172.529.8-28.4000108.9F34 L35 V131 A132F34-P127 HydrophobicContact CD1-CG 3.79Å; F34-P127 HydrophobicContact CE1-CB 4.29Å; F34-P127 HydrophobicContact CE1-CG 3.62Å; F34-P127 HydrophobicContact CZ-CG 4.37Å; L35-P127 HydrophobicContact CD2-CG 4.12Å; P127-V131 HydrophobicContact CB-CB 4.18Å; P127-V131 HydrophobicContact CB-CG1 3.93Å; P127-A132 HydrophobicContact CG-CB 4.2Å
128N90.8Very high91.4Very high75 Ų7555.3 Ų55.340%0.40130%0.302SS..  trans-65.4164.2168.969.321.7000110.7E130 V131 A132N128-E130 VanDerWaalsContact C-N 3.25Å; N128-E130 PolarHBondContact O-N 2.99Å; N128-E130 PolarHBondContact OD1-N 3.01Å; N128-V131 PolarHBondContact O-N 3.04Å; N128-V131 WeakPolarHBondContact OD1-CB 3.25Å; N128-V131 WeakPolarHBondContact OD1-CG2 3.42Å; N128-V131 PolarHBondContact OD1-N 3.41Å; N128-A132 WeakPolarHBondContact O-CB 3.49Å; N128-A132 PolarHBondContact O-N 3.19Å
129E89.3Confident90.6Very high164 Ų16459.7 Ų59.777%0.76632%0.32SS*.Hα-helixtrans-58.2-36.6-175.2-172.4176.5-179.200112.9T133E129-T133 WeakPolarHBondContact O-CB 3.21Å; E129-T133 PolarHBondContact O-N 2.89Å; E129-T133 PolarHBondContact O-OG1 2.91Å
130E91.6Very high89.3Confident157 Ų15765.8 Ų65.873%0.73435%0.348SS*.Hα-helixtrans-64.2-47.6179-64.1179174.900111.8N128 T133 A134N128-E130 VanDerWaalsContact C-N 3.25Å; N128-E130 PolarHBondContact O-N 2.99Å; N128-E130 PolarHBondContact OD1-N 3.01Å; E130-T133 PolarHBondContact O-N 3.46Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 3.47Å
131V90.7Very high87.6Confident85 Ų8570.3 Ų70.352%0.51537%0.369SS..Hα-helixtrans-66.7-43.5178.11720000110.7P127 N128 T133 A134 F135P127-V131 HydrophobicContact CB-CB 4.18Å; P127-V131 HydrophobicContact CB-CG1 3.93Å; N128-V131 PolarHBondContact O-N 3.04Å; N128-V131 WeakPolarHBondContact OD1-CB 3.25Å; N128-V131 WeakPolarHBondContact OD1-CG2 3.42Å; N128-V131 PolarHBondContact OD1-N 3.41Å; V131-T133 VanDerWaalsContact C-N 3.33Å; V131-T133 PolarHBondContact O-N 3.22Å; V131-A134 PolarHBondContact O-N 3.05Å; V131-F135 WeakPolarHBondContact O-CB 3.21Å; V131-F135 PolarHBondContact O-N 2.67Å
132A91.3Very high85.9Confident12 Ų1272.7 Ų72.710%0.09938%0.382CS..Hα-helixtrans-60.1-44.517600000111.4L35 P127 N128 F135 L136L35-A132 HydrophobicContact CD2-CB 4.13Å; P127-A132 HydrophobicContact CG-CB 4.2Å; N128-A132 WeakPolarHBondContact O-CB 3.49Å; N128-A132 PolarHBondContact O-N 3.19Å; A132-F135 PolarHBondContact O-N 3.13Å; A132-L136 WeakPolarHBondContact O-CB 3.4Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 3.4Å
133T88.8Confident84Confident82 Ų8282.1 Ų82.150%0.50342%0.422SS..Hα-helixtrans-65.1-45.3179.1-60.60000111.7E129 E130 V131 F135 L136 S137E129-T133 WeakPolarHBondContact O-CB 3.21Å; E129-T133 PolarHBondContact O-N 2.89Å; E129-T133 PolarHBondContact O-OG1 2.91Å; E130-T133 PolarHBondContact O-N 3.46Å; V131-T133 VanDerWaalsContact C-N 3.33Å; V131-T133 PolarHBondContact O-N 3.22Å; T133-F135 VanDerWaalsContact C-N 3.34Å; T133-F135 PolarHBondContact O-N 3.29Å; T133-L136 PolarHBondContact O-N 2.86Å; T133-S137 PolarHBondContact O-N 2.98Å
134A90.7Very high82.3Confident56 Ų5685.4 Ų85.446%0.46344%0.441SS..Hα-helixtrans-63.3-38.4177.800000112.5E130 V131 S137 T138E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 3.47Å; V131-A134 PolarHBondContact O-N 3.05Å; A134-S137 PolarHBondContact O-OG 3.46Å; A134-T138 PolarHBondContact O-OG1 2.92Å
135F90.3Very high80.6Confident71 Ų7184.9 Ų84.931%0.31144%0.444SS..Hα-helixtrans-66.7-45.4174.6-175.2-91.7000111.4L31 L35 V131 A132 T133 S137 T138 F139L31-F135 HydrophobicContact CD1-CE1 3.85Å; L31-F135 HydrophobicContact CD1-CZ 3.87Å; L31-F135 HydrophobicContact CD2-CE1 4.39Å; L35-F135 HydrophobicContact CD1-CD1 3.41Å; L35-F135 VanDerWaalsContact CD1-CD1 3.41Å; L35-F135 HydrophobicContact CD1-CE1 3.62Å; L35-F135 HydrophobicContact CD2-CD1 4.34Å; V131-F135 WeakPolarHBondContact O-CB 3.21Å; V131-F135 PolarHBondContact O-N 2.67Å; A132-F135 PolarHBondContact O-N 3.13Å; T133-F135 VanDerWaalsContact C-N 3.34Å; T133-F135 PolarHBondContact O-N 3.29Å; F135-S137 VanDerWaalsContact C-N 3.33Å; F135-S137 PolarHBondContact O-N 3.43Å; F135-T138 VanDerWaalsContact O-CB 3.25Å; F135-T138 WeakPolarHBondContact O-CB 3.25Å; F135-T138 PolarHBondContact O-N 2.97Å; F135-T138 PolarHBondContact O-OG1 3.23Å; F135-F139 HydrophobicContact CD1-CE2 4.03Å; F135-F139 HydrophobicContact CE1-CD2 4.4Å; F135-F139 AromaticContact CE1-CE2 3.49Å; F135-F139 HydrophobicContact CE1-CE2 3.49Å; F135-F139 VanDerWaalsContact CE1-CE2 3.49Å; F135-F139 HydrophobicContact CE1-CZ 4.25Å; F135-F139 HydrophobicContact CE2-CE2 4.44Å; F135-F139 AromaticContact CZ-CE2 3.72Å; F135-F139 HydrophobicContact CZ-CE2 3.72Å; F135-F139 HydrophobicContact CZ-CZ 4.11Å
136L87.8Confident79Confident38 Ų3893.6 Ų93.620%0.19949%0.485CS..Hα-helixtrans-65.3-33.6179.8-72.3173.7000113L35 R36 A132 T133 T138 F139L35-L136 HydrophobicContact CB-CD2 4.37Å; L35-L136 HydrophobicContact CD1-CD2 3.84Å; L35-L136 HydrophobicContact CD1-CG 4.3Å; R36-L136 HydrophobicContact CG-CD1 4.31Å; A132-L136 WeakPolarHBondContact O-CB 3.4Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 3.4Å; T133-L136 PolarHBondContact O-N 2.86Å; L136-T138 PolarHBondContact O-N 3.42Å; L136-F139 PolarHBondContact O-N 3.43Å
137S86.6Confident77.6Confident44 Ų4498.1 Ų98.131%0.30852%0.518SS..Hα-helixtrans-66.1-28.2177.966.60000112.6T133 A134 F135 F139 Q140 E141T133-S137 PolarHBondContact O-N 2.98Å; A134-S137 PolarHBondContact O-OG 3.46Å; F135-S137 VanDerWaalsContact C-N 3.33Å; F135-S137 PolarHBondContact O-N 3.43Å; S137-F139 PolarHBondContact O-N 3.23Å; S137-F139 VanDerWaalsContact O-N 3.11Å; S137-Q140 PolarHBondContact O-N 3.42Å; S137-E141 PolarHBondContact O-N 2.97Å
138T85.9Confident75.9Confident86 Ų86101 Ų10153%0.52853%0.53SS..Hα-helixtrans-56-30.3175.9-550000112.3A134 F135 L136A134-T138 PolarHBondContact O-OG1 2.92Å; F135-T138 VanDerWaalsContact O-CB 3.25Å; F135-T138 WeakPolarHBondContact O-CB 3.25Å; F135-T138 PolarHBondContact O-N 2.97Å; F135-T138 PolarHBondContact O-OG1 3.23Å; L136-T138 PolarHBondContact O-N 3.42Å
139F80.2Confident74Confident113 Ų113101.9 Ų101.950%0.49654%0.542SS..Hα-helixtrans-93.4-19.5178.3-60.9-82.2000113.9F135 L136 S137 E141 I142F135-F139 HydrophobicContact CD1-CE2 4.03Å; F135-F139 HydrophobicContact CE1-CD2 4.4Å; F135-F139 AromaticContact CE1-CE2 3.49Å; F135-F139 HydrophobicContact CE1-CE2 3.49Å; F135-F139 VanDerWaalsContact CE1-CE2 3.49Å; F135-F139 HydrophobicContact CE1-CZ 4.25Å; F135-F139 HydrophobicContact CE2-CE2 4.44Å; F135-F139 AromaticContact CZ-CE2 3.72Å; F135-F139 HydrophobicContact CZ-CE2 3.72Å; F135-F139 HydrophobicContact CZ-CZ 4.11Å; L136-F139 PolarHBondContact O-N 3.43Å; S137-F139 PolarHBondContact O-N 3.23Å; S137-F139 VanDerWaalsContact O-N 3.11Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-I142 HydrophobicContact CB-CD1 4.48Å; F139-I142 HydrophobicContact CD1-CD1 3.83Å; F139-I142 WeakPolarHBondContact O-CB 3.34Å; F139-I142 PolarHBondContact O-N 2.71Å
140Q68.7Low72.5Confident148 Ų148105 Ų10569%0.69255%0.548SS*.Hα-helixtrans-75-27.6176.7-68.6-178.8-12.200112S137 I142S137-Q140 PolarHBondContact O-N 3.42Å; Q140-I142 PolarHBondContact O-N 3.02Å
141E59.8Low70.7Confident167 Ų167103.5 Ų103.578%0.7854%0.544SS*.SBendtrans-75.2-11174.2-65.1-171.2177.700113.2S137 F139 K143S137-E141 PolarHBondContact O-N 2.97Å; F139-E141 VanDerWaalsContact C-N 3.34Å; E141-K143 PolarHBondContact O-N 3.39Å
142I58.1Low68.6Low95 Ų95108.1 Ų108.149%0.48756%0.557SS.*  trans-74.499.8173.2-55.2176.5000108F139 Q140 V144F139-I142 HydrophobicContact CB-CD1 4.48Å; F139-I142 HydrophobicContact CD1-CD1 3.83Å; F139-I142 WeakPolarHBondContact O-CB 3.34Å; F139-I142 PolarHBondContact O-N 2.71Å; Q140-I142 PolarHBondContact O-N 3.02Å; I142-V144 VanDerWaalsContact C-N 3.28Å; I142-V144 PolarHBondContact O-N 3.11Å
143K54.6Low66.6Low198 Ų198113.1 Ų113.186%0.86159%0.589SS**  trans-60.595.8160.4-78.2-175.2178.4179.20108E141 P145E141-K143 PolarHBondContact O-N 3.39Å; K143-P145 VanDerWaalsContact O-CD 3.27Å; K143-P145 WeakPolarHBondContact O-CD 3.27Å; K143-P145 VanDerWaalsContact O-N 3.16Å
144V55.7Low64.8Low79 Ų79114 Ų11448%0.47960%0.604SS.*  trans-57.4118.8171.2-176.20000107I142 E146 I148I142-V144 VanDerWaalsContact C-N 3.28Å; I142-V144 PolarHBondContact O-N 3.11Å; V144-E146 PolarHBondContact O-N 3.28Å; V144-I148 HydrophobicContact CG1-CB 3.85Å
145P55.4Low62.8Low71 Ų71120.8 Ų120.846%0.46162%0.623SS.*  trans-54.8137.3174.4-2433.8000109.1K143 S147 I148K143-P145 VanDerWaalsContact O-CD 3.27Å; K143-P145 WeakPolarHBondContact O-CD 3.27Å; K143-P145 VanDerWaalsContact O-N 3.16Å; P145-S147 PolarHBondContact O-N 3.36Å; P145-I148 HydrophobicContact CG-CD1 4.43Å; P145-I148 PolarHBondContact O-N 3.17Å
146E57.8Low60.8Low184 Ų184122.3 Ų122.386%0.8664%0.642SS**G310 helixtrans-54.2-20.1-179.3-69.3-176.4157.400112.9V144 I148 C149V144-E146 PolarHBondContact O-N 3.28Å; E146-I148 PolarHBondContact O-N 3.38Å; E146-C149 WeakPolarHBondContact O-CB 3.48Å
147S62.6Low58.7Low105 Ų105130.4 Ų130.473%0.73468%0.676SS**G310 helixtrans-66.1-11173.657.20000115.3P145P145-S147 PolarHBondContact O-N 3.36Å
148I58Low57Low90 Ų90134 Ų13446%0.46270%0.697SS.*G310 helixtrans-113.134.8-179-40.9-178.6000110.9V144 P145 E146 Y150V144-I148 HydrophobicContact CG1-CB 3.85Å; P145-I148 HydrophobicContact CG-CD1 4.43Å; P145-I148 PolarHBondContact O-N 3.17Å; E146-I148 PolarHBondContact O-N 3.38Å; I148-Y150 PolarHBondContact O-N 3.28Å
149C50.9Low55.1Low95 Ų95135.3 Ų135.364%0.64271%0.709SS**THydrogen-bonded Turntrans-68.813.1-168.4-139.60000117.3E146 I151E146-C149 WeakPolarHBondContact O-CB 3.48Å; C149-I151 PolarHBondContact O-N 3.25Å
150Y57Low53.4Low228 Ų228134.5 Ų134.589%0.89472%0.718SS**THydrogen-bonded Turntrans-75.7-15174.9-63.7-76.5000112.9I148I148-Y150 PolarHBondContact O-N 3.28Å
151I53.7Low52.7Low127 Ų127133.5 Ų133.565%0.65172%0.722SS**SBendtrans-100.893.7175.7-50.8177.2000107.9C149C149-I151 PolarHBondContact O-N 3.25Å
152K46.6Very low52.5Low182 Ų182132.9 Ų132.979%0.79172%0.722SS**PPolyproline II helixtrans-73.6123.8170.8-71.7-176.5179.2175.40108.5A154K152-A154 PolarHBondContact O-N 2.89Å
153P50.2Low52Low117 Ų117136.2 Ų136.276%0.7676%0.764SS**PPolyproline II helixtrans-59.7132.7173.221.6-27.8000109.2K155P153-K155 PolarHBondContact O-N 3.41Å
154A50.3Low51.9Low99 Ų99133.1 Ų133.182%0.81876%0.759SS**PPolyproline II helixtrans-56.3125.4171.200000108K152 S156K152-A154 PolarHBondContact O-N 2.89Å; A154-S156 PolarHBondContact O-N 3.24Å; A154-S156 VanDerWaalsContact O-N 3.14Å
155K47.9Very low51.7Low200 Ų200135.9 Ų135.987%0.8777%0.773SS**PPolyproline II helixtrans-51.8123179.4-72.2179176.6179.40108.9P153 F157P153-K155 PolarHBondContact O-N 3.41Å; K155-F157 PolarHBondContact O-N 2.92Å
156S49.7Very low51.5Low102 Ų102139.6 Ų139.671%0.71379%0.791SS**PPolyproline II helixtrans-53.1125.7166.542.50000108.7A154 T158A154-S156 PolarHBondContact O-N 3.24Å; A154-S156 VanDerWaalsContact O-N 3.14Å; S156-T158 VanDerWaalsContact C-N 3.34Å; S156-T158 PolarHBondContact O-N 2.89Å
157F43.6Very low51.1Low209 Ų209136.9 Ų136.992%0.91779%0.787SS**  trans-6499.2167-109.8-98.9000107K155 S159K155-F157 PolarHBondContact O-N 2.92Å; F157-S159 PolarHBondContact O-N 2.87Å
158T49.8Very low50.4Low120 Ų120138.9 Ų138.974%0.73679%0.79SS**  trans-69.7107160.950.50000106.6S156 S160S156-T158 VanDerWaalsContact C-N 3.34Å; S156-T158 PolarHBondContact O-N 2.89Å; T158-S160 PolarHBondContact O-N 2.84Å
159S46.5Very low49.9Very low112 Ų112142.2 Ų142.278%0.78381%0.812SS**  trans-59.1106.3166.2-170.30000108.1F157 T161F157-S159 PolarHBondContact O-N 2.87Å; S159-T161 PolarHBondContact O-N 3.38Å
160S44Very low49.9Very low97 Ų97145.6 Ų145.668%0.67882%0.824SS**  trans-73.6105.3163.954.30000107.4T158 I162T158-S160 PolarHBondContact O-N 2.84Å; S160-I162 PolarHBondContact O-N 3.03Å
161T54.3Low49.3Very low127 Ų127139.2 Ų139.278%0.77982%0.819SS**  trans-56.6121.7161.3-61.70000108.4S159S159-T161 PolarHBondContact O-N 3.38Å
162I56.2Low48.9Very low154 Ų154140.3 Ų140.379%0.7983%0.833SS**  trans-86.5134.2170.3-65.3175.6000107.5S160S160-I162 PolarHBondContact O-N 3.03Å
163A48.3Very low49.2Very low164 Ų164136.5 Ų136.5100%1.35584%0.836SS**  trans80.40175.500000117.2

Retrieved 163 of 163 residues in 212.1 ms (Link to these results)

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