A0A2K5NMH2_CERAT Loading...

Calcium/calmodulin-dependent protein kinase type 1B

AlphaFold DB , UniProt , Accession A0A2K5NMH2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PNCK, Length 360 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31.7Very low30.5Very low232 Ų232162.5 Ų162.5100%1.14390%0.902SS**  044.30-161.6177.8-148.900111.7
2W24.2Very low30.9Very low262 Ų262169.3 Ų169.399%0.99290%0.903SS**  trans-143.470.4171.3-76.582000107.7
3R25.8Very low31Very low240 Ų240173.9 Ų173.991%0.90690%0.901SS**  trans-128.7135.5161.9-86-170.3178.2-1460.5105.2
4R30.1Very low31.4Very low244 Ų244170.6 Ų170.692%0.92190%0.896SS**  trans83.889.6178.3-53.8177.6-177.7-173.40.5115.3
5V35.5Very low31.6Very low143 Ų143166.2 Ų166.287%0.86788%0.884SS**  -156.6106.1121-178.20000106.3
6C30.8Very low31.8Very low135 Ų135160.9 Ų160.991%0.91288%0.881SS**  trans179.685155.2-95.80000105.9
7G26.8Very low32Very low80 Ų80159.5 Ų159.583%0.82587%0.873SS**  trans-78.4140.5174.900000111.2
8G31.2Very low32.4Very low80 Ų80161.1 Ų161.183%0.82588%0.876SS**  trans7163.9135.500000118.4
9L31.8Very low33.3Very low177 Ų177159.1 Ų159.193%0.92786%0.863SS**  trans-109.399.3145.3-87154.3000107.2A11L9-A11 PolarHBondContact O-N 2.99Å
10A31.8Very low34.5Very low97 Ų97157.9 Ų157.980%0.80286%0.856SS**  trans-58.7120.7174.200000109R12A10-R12 PolarHBondContact O-N 3.22Å
11A35.5Very low36.3Very low97 Ų97153.6 Ų153.680%0.80283%0.832SS**  trans-57.8107.4169.600000108.7L9 R13L9-A11 PolarHBondContact O-N 2.99Å; A11-R13 PolarHBondContact O-N 3.18Å
12R35.1Very low38.7Very low244 Ų244143.5 Ų143.592%0.92178%0.782SS**  trans-61118165.7-81.3-175.2174.2-159.1-0.4107.2A10A10-R12 PolarHBondContact O-N 3.22Å
13R33.4Very low41.9Very low230 Ų230135.8 Ų135.887%0.86876%0.755SS**  trans-60.3136.3165.3-70.9-177.5-178.4-175.20.3107.9A11 S15A11-R13 PolarHBondContact O-N 3.18Å; R13-S15 PolarHBondContact O-N 3.09Å; R13-S15 VanDerWaalsContact O-N 3.09Å
14P35.6Very low45Very low128 Ų128131.6 Ų131.683%0.83175%0.745SS**  trans-70.7109.91709.71.4000108.1G16P14-G16 PolarHBondContact O-N 3.31Å
15S35.3Very low47.9Very low104 Ų104120.6 Ų120.673%0.72771%0.706SS**  trans-67.7110.2163.1430000108.6R13 D17R13-S15 PolarHBondContact O-N 3.09Å; R13-S15 VanDerWaalsContact O-N 3.09Å; S15-D17 PolarHBondContact O-N 2.73Å
16G33.9Very low50.5Low81 Ų81122.4 Ų122.484%0.83571%0.705SS**SBend53.9-2.7126.400000122.3P14P14-G16 PolarHBondContact O-N 3.31Å
17D34.9Very low53.5Low138 Ų138120.2 Ų120.274%0.73868%0.684SS**  trans-91.5120173.4-81.5-20.4000108.8S15 L19S15-D17 PolarHBondContact O-N 2.73Å; D17-L19 PolarHBondContact O-N 2.72Å
18M40.7Very low56.7Low188 Ų188116.6 Ų116.693%0.92665%0.646SS**  trans-60.883.3158.8-168.6158.77000106.5L20M18-L20 PolarHBondContact O-N 3.14Å
19L49.1Very low59.8Low122 Ų122115 Ų11564%0.63962%0.622SS**  trans-47.4109.3-175.7-99.7139.2000107.7D17 L21D17-L19 PolarHBondContact O-N 2.72Å; L19-L21 PolarHBondContact O-N 2.63Å; L19-L21 VanDerWaalsContact O-N 3.08Å
20L57.8Low62.8Low135 Ų135110.2 Ų110.271%0.70760%0.603SS**  trans-48.9125171.5-75.8164.8000106.9M18 K22 R83M18-L20 PolarHBondContact O-N 3.14Å; L20-K22 WeakPolarHBondContact CB-O 3.33Å; L20-K22 PolarHBondContact O-N 3.05Å; L20-R83 PolarHBondContact O-NH1 3.34Å
21L70.9Confident65.8Low68 Ų68107.4 Ų107.436%0.35658%0.576SS.*SBendtrans-59.2-26.4-173.7-141.9103.6000110.9L19 E76 I79 A80 R83L19-L21 PolarHBondContact O-N 2.63Å; L19-L21 VanDerWaalsContact O-N 3.08Å; L21-E76 WeakPolarHBondContact CD2-O 3.49Å; L21-I79 HydrophobicContact CD2-CB 3.97Å; L21-I79 HydrophobicContact CD2-CG2 3.71Å; L21-I79 HydrophobicContact CG-CG2 4.33Å; L21-A80 HydrophobicContact CD1-CB 3.8Å; L21-A80 HydrophobicContact CD2-CB 3.81Å; L21-A80 HydrophobicContact CG-CB 4.28Å; L21-R83 PolarHBondContact O-NH1 2.7Å; L21-R83 VanDerWaalsContact O-NH1 3.14Å
22K82.8Confident68.8Low21 Ų21103.1 Ų103.19%0.09154%0.539CS..SBendtrans-140.9144.3178.7-46.9173-172.2157.30109.9L20 E76 I79 V96 E98 L103L20-K22 WeakPolarHBondContact CB-O 3.33Å; L20-K22 PolarHBondContact O-N 3.05Å; K22-E76 IonicContact NZ-OE1 3.9Å; K22-E76 PolarHBondContact NZ-OE1 3.08Å; K22-I79 HydrophobicContact CD-CD1 4.2Å; K22-I79 VanDerWaalsContact CE-CD1 3.46Å; K22-I79 HydrophobicContact CG-CD1 4.28Å; K22-V96 HydrophobicContact CB-CG1 4.05Å; K22-V96 HydrophobicContact CG-CG1 3.79Å; K22-E98 HydrophobicContact CB-CB 4.46Å; K22-E98 HydrophobicContact CD-CB 4.4Å; K22-E98 WeakPolarHBondContact CD-OE2 3.32Å; K22-E98 WeakPolarHBondContact CE-OE2 3.43Å; K22-E98 IonicContact NZ-OE2 2.91Å; K22-E98 PolarHBondContact NZ-OE2 3.06Å; K22-L103 HydrophobicContact CD-CD1 4.16Å
23K91.4Very high71.7Confident99 Ų9995.7 Ų95.743%0.4351%0.514SS..EExtended strand (participates in β ladder)trans-92122.2172.9-62.8175.2-175.9174.90109.9T25 D95 V96 H97 E98K23-T25 PolarHBondContact O-N 2.92Å; K23-T25 PolarHBondContact O-OG1 2.79Å; K23-D95 VanDerWaalsContact CE-OD1 3.32Å; K23-D95 WeakPolarHBondContact CE-OD1 3.49Å; K23-D95 WeakPolarHBondContact CE-OD2 3.2Å; K23-D95 IonicContact NZ-OD1 3.5Å; K23-D95 IonicContact NZ-OD2 2.63Å; K23-D95 PolarHBondContact NZ-OD2 3.15Å; K23-V96 PolarHBondContact N-O 3.46Å; K23-H97 CarbonylContact O-C 3.55Å; K23-H97 VanDerWaalsContact O-CA 3.3Å; K23-H97 WeakPolarHBondContact O-CA 3.49Å; K23-E98 PolarHBondContact O-N 3.04Å
24H90.9Very high74.6Confident152 Ų15288.4 Ų88.470%0.70449%0.492SS*.EExtended strand (participates in β ladder)trans-68.5125.4171.7-78-66.6000110.1E98H24-E98 WeakPolarHBondContact CA-O 3.38Å
25T90.9Very high77.4Confident14 Ų1484.3 Ų84.39%0.08646%0.46CS..  trans-138.9114.8-175.8-540000108.5K23 D27 V31 H97 E98 S99K23-T25 PolarHBondContact O-N 2.92Å; K23-T25 PolarHBondContact O-OG1 2.79Å; T25-D27 WeakPolarHBondContact CG2-O 3.47Å; T25-V31 HydrophobicContact CG2-CG2 3.69Å; T25-H97 PolarHBondContact OG1-ND1 2.99Å; T25-E98 PolarHBondContact N-O 3.22Å; T25-S99 WeakPolarHBondContact O-CA 3.32Å; T25-S99 WeakPolarHBondContact O-CB 3.44Å
26E90.8Very high79.9Confident181 Ų18182.5 Ų82.585%0.84644%0.44SS*.SBendtrans-63-49.6-178.6-68.2-168.2163.600111.8
27D92.1Very high82.6Confident89 Ų8985.6 Ų85.648%0.47643%0.426SS..  trans-126.9117.4175.5-179.15.7000110T25 S29 S30T25-D27 WeakPolarHBondContact CG2-O 3.47Å; D27-S29 PolarHBondContact O-N 2.71Å; D27-S29 VanDerWaalsContact OD1-CB 3.23Å; D27-S29 WeakPolarHBondContact OD1-CB 3.42Å; D27-S29 PolarHBondContact OD1-N 2.74Å; D27-S29 PolarHBondContact OD1-OG 3.4Å; D27-S30 WeakPolarHBondContact O-CB 3.47Å; D27-S30 PolarHBondContact O-N 3.39Å; D27-S30 VanDerWaalsContact O-N 3.08Å; D27-S30 PolarHBondContact O-OG 2.82Å
28I95.5Very high84.9Confident4 Ų481.4 Ų81.42%0.02140%0.404CS..G310 helixtrans-61.1-25.4179.4-16661.1000112.1S30 V31 Y32 I34 L60 H97 Y104I28-S30 PolarHBondContact O-N 3.23Å; I28-S30 VanDerWaalsContact O-N 3.16Å; I28-V31 PolarHBondContact O-N 2.98Å; I28-Y32 HydrophobicContact CD1-CD2 3.76Å; I28-Y32 HydrophobicContact CD1-CE2 4.16Å; I28-Y32 HydrophobicContact CG1-CD2 4.15Å; I28-Y32 PolarHBondContact O-N 2.62Å; I28-I34 HydrophobicContact CG2-CD1 3.95Å; I28-L60 HydrophobicContact CG1-CD2 3.94Å; I28-H97 HydrophobicContact CD1-CB 3.74Å; I28-Y104 HydrophobicContact CB-CD1 4.33Å; I28-Y104 HydrophobicContact CB-CD2 4.13Å; I28-Y104 HydrophobicContact CB-CE1 4Å; I28-Y104 HydrophobicContact CB-CE2 3.76Å; I28-Y104 HydrophobicContact CB-CG 4.39Å; I28-Y104 HydrophobicContact CD1-CD1 4.4Å; I28-Y104 HydrophobicContact CD1-CD2 3.88Å; I28-Y104 HydrophobicContact CD1-CE2 4.38Å; I28-Y104 HydrophobicContact CD1-CG 3.88Å; I28-Y104 HydrophobicContact CG1-CD1 3.88Å; I28-Y104 HydrophobicContact CG1-CD2 4Å; I28-Y104 HydrophobicContact CG1-CE1 4.04Å; I28-Y104 HydrophobicContact CG1-CE2 4.14Å; I28-Y104 HydrophobicContact CG1-CG 3.85Å; I28-Y104 HydrophobicContact CG2-CD1 4.4Å; I28-Y104 HydrophobicContact CG2-CE1 3.71Å; I28-Y104 HydrophobicContact CG2-CE2 4.2Å
29S94.7Very high86.6Confident46 Ų4673 Ų7332%0.32237%0.365SS..G310 helixtrans-66.2-15.3178.3-41.20000112.8D27 Y32 R52D27-S29 PolarHBondContact O-N 2.71Å; D27-S29 VanDerWaalsContact OD1-CB 3.23Å; D27-S29 WeakPolarHBondContact OD1-CB 3.42Å; D27-S29 PolarHBondContact OD1-N 2.74Å; D27-S29 PolarHBondContact OD1-OG 3.4Å; S29-Y32 CarbonylContact C-O 3.6Å; S29-Y32 WeakPolarHBondContact CA-O 3.41Å; S29-R52 PolarHBondContact O-NE 3.31Å; S29-R52 PolarHBondContact O-NH2 3.33Å
30S94.8Very high87.7Confident77 Ų7770.1 Ų70.154%0.53836%0.355SS..G310 helixtrans-78.5-21.2172.569.50000113.2D27 I28 R52D27-S30 WeakPolarHBondContact O-CB 3.47Å; D27-S30 PolarHBondContact O-N 3.39Å; D27-S30 VanDerWaalsContact O-N 3.08Å; D27-S30 PolarHBondContact O-OG 2.82Å; I28-S30 PolarHBondContact O-N 3.23Å; I28-S30 VanDerWaalsContact O-N 3.16Å; S30-R52 WeakPolarHBondContact O-CD 3.49Å
31V96.4Very high88.1Confident37 Ų3765.7 Ų65.722%0.22434%0.342CS..THydrogen-bonded Turntrans-103.3-41.6179.6-1760000110.8T25 I28 R52T25-V31 HydrophobicContact CG2-CG2 3.69Å; I28-V31 PolarHBondContact O-N 2.98Å; V31-R52 WeakPolarHBondContact O-CB 3.2Å; V31-R52 PolarHBondContact O-N 3.1Å
32Y97Very high87.6Confident7 Ų765.7 Ų65.73%0.02735%0.352CS..EExtended strand (participates in β ladder)trans-122.4139-177.7-63.8-84.1000111.8I28 S29 I34 A49 Q50 E51 V58 L60 H97 A106I28-Y32 HydrophobicContact CD1-CD2 3.76Å; I28-Y32 HydrophobicContact CD1-CE2 4.16Å; I28-Y32 HydrophobicContact CG1-CD2 4.15Å; I28-Y32 PolarHBondContact O-N 2.62Å; S29-Y32 CarbonylContact C-O 3.6Å; S29-Y32 WeakPolarHBondContact CA-O 3.41Å; Y32-I34 PolarHBondContact O-N 3.37Å; Y32-A49 HydrophobicContact CD1-CB 4.21Å; Y32-A49 HydrophobicContact CG-CB 4.33Å; Y32-Q50 CarbonylContact C-O 3.49Å; Y32-Q50 VanDerWaalsContact CA-O 3.26Å; Y32-Q50 WeakPolarHBondContact CA-O 3.45Å; Y32-E51 HydrophobicContact CD1-CB 4.13Å; Y32-E51 HydrophobicContact CE1-CB 3.92Å; Y32-E51 HydrophobicContact CE1-CG 4.44Å; Y32-V58 HydrophobicContact CD1-CG2 3.87Å; Y32-V58 HydrophobicContact CE1-CG1 4.46Å; Y32-V58 HydrophobicContact CE1-CG2 3.61Å; Y32-L60 HydrophobicContact CD2-CD1 4.39Å; Y32-L60 HydrophobicContact CD2-CD2 4.42Å; Y32-L60 HydrophobicContact CE2-CD1 4.34Å; Y32-H97 AromaticContact CE2-CD2 3.83Å; Y32-H97 AromaticContact CE2-NE2 3.62Å; Y32-A106 WeakPolarHBondContact OH-CB 3.36Å
33E96.8Very high87.1Confident88 Ų8868.6 Ų68.641%0.41137%0.365SS..EExtended strand (participates in β ladder)trans-81104.5160.7-174.8178.9163.200108.5A49 Q50E33-A49 WeakPolarHBondContact O-CA 3.37Å; E33-Q50 HydrophobicContact CB-CB 4.43Å; E33-Q50 PolarHBondContact N-O 3.34Å; E33-Q50 PolarHBondContact O-N 3.35Å
34I94.9Very high86.5Confident77 Ų7764.5 Ų64.540%0.39535%0.349SS..EExtended strand (participates in β ladder)trans-71.3134.5176.7-63.7168.7000109.4I28 Y32 V47I28-I34 HydrophobicContact CG2-CD1 3.95Å; Y32-I34 PolarHBondContact O-N 3.37Å; I34-V47 HydrophobicContact CG2-CB 4.15Å; I34-V47 HydrophobicContact CG2-CG1 4.43Å; I34-V47 HydrophobicContact CG2-CG2 3.85Å
35R93.3Very high86.4Confident43 Ų4360.3 Ų60.316%0.16233%0.329CS..EExtended strand (participates in β ladder)trans-120.1-144-179.5-54179.4168.9-157.4-8.7110L48 H326R35-L48 WeakPolarHBondContact CA-O 3.45Å; R35-L48 HydrophobicContact CB-CB 4.23Å; R35-L48 HydrophobicContact CB-CD2 4.35Å; R35-L48 HydrophobicContact CB-CG 4.28Å; R35-L48 WeakPolarHBondContact CB-O 3.3Å; R35-L48 PolarHBondContact N-O 2.9Å; R35-H326 PolarHBondContact NH1-CD2 2.94Å; R35-H326 VanDerWaalsContact NH1-CD2 3.3Å; R35-H326 PolarHBondContact NH1-CE1 3.48Å; R35-H326 PolarHBondContact NH1-NE2 3.4Å; R35-H326 PolarHBondContact NH2-NE2 2.91Å
36E89Confident86.3Confident65 Ų6560.7 Ų60.730%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-66.4154.6-177.962.8-93.6-152.200114.2V47 L48 F318E36-V47 WeakPolarHBondContact O-CA 3.4Å; E36-L48 HydrophobicContact CG-CB 4.31Å; E36-L48 HydrophobicContact CG-CD2 4.47Å; E36-L48 PolarHBondContact O-N 2.83Å; E36-L48 VanDerWaalsContact OE1-CD2 3.27Å; E36-L48 WeakPolarHBondContact OE1-CD2 3.37Å; E36-F318 HydrophobicContact CG-CE2 3.71Å; E36-F318 HydrophobicContact CG-CZ 4.44Å; E36-F318 WeakPolarHBondContact OE1-CE2 3.5Å; E36-F318 VanDerWaalsContact OE1-CZ 3.23Å; E36-F318 WeakPolarHBondContact OE1-CZ 3.25Å
37R89.7Confident86.4Confident146 Ų14652.4 Ų52.455%0.55129%0.294SS*.EExtended strand (participates in β ladder)trans-72.4127172.3-177.8-177.7-67.6-170.4-9.4110.2G39 E45R37-G39 WeakPolarHBondContact CG-O 3.43Å; R37-E45 HydrophobicContact CG-CG 4.17Å; R37-E45 IonicContact CZ-OE1 3.79Å; R37-E45 IonicContact CZ-OE2 3.72Å; R37-E45 VanDerWaalsContact NE-CD 3.31Å; R37-E45 IonicContact NE-OE1 2.7Å; R37-E45 PolarHBondContact NE-OE1 3.13Å; R37-E45 IonicContact NE-OE2 3.65Å; R37-E45 IonicContact NH2-OE1 2.68Å; R37-E45 PolarHBondContact NH2-OE1 3.37Å; R37-E45 IonicContact NH2-OE2 3.4Å; R37-E45 PolarHBondContact NH2-OE2 3.24Å
38L83.2Confident86.5Confident51 Ų5148.4 Ų48.427%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-89.3-39172.8-61.9175.3000111V46 L48 A59 L109 F318L38-V46 HydrophobicContact CB-CG1 4.24Å; L38-V46 HydrophobicContact CD1-CG1 4.33Å; L38-V46 PolarHBondContact N-O 3.31Å; L38-L48 HydrophobicContact CD1-CB 4.12Å; L38-L48 HydrophobicContact CD2-CB 4.1Å; L38-L48 HydrophobicContact CG-CB 4.07Å; L38-A59 HydrophobicContact CD1-CB 4.03Å; L38-L109 HydrophobicContact CD1-CD1 3.84Å; L38-F318 HydrophobicContact CD2-CD2 4.5Å; L38-F318 HydrophobicContact CD2-CE2 4.43Å
39G76.8Confident86.6Confident10 Ų1048.2 Ų48.210%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-159.4162.6-177.600000113.4R37 V46R37-G39 WeakPolarHBondContact CG-O 3.43Å; G39-V46 PolarHBondContact N-O 3.17Å; G39-V46 PolarHBondContact O-N 3Å
40S72.3Confident86.7Confident62 Ų6247.3 Ų47.343%0.43426%0.262SS..EExtended strand (participates in β ladder)trans-135.2127.7171.6-171.30000108R316S40-R316 PolarHBondContact O-NH2 3.21Å
41G65.9Low86.7Confident42 Ų4247.2 Ų47.243%0.43325%0.253SS..  trans-107179.3167.900000111F43 S44G41-F43 PolarHBondContact O-N 3.2Å; G41-S44 PolarHBondContact N-O 2.87Å
42A61.3Low86.6Confident68 Ų6851.8 Ų51.856%0.56227%0.266SS*.SBendtrans-60.6-30.5-17800000113.7
43F70.7Confident86.5Confident82 Ų8255.9 Ų55.936%0.3631%0.31SS..SBendtrans-137.116.5-174.8-54.1-72000113.5G41 P64 A67 Q181 M185G41-F43 PolarHBondContact O-N 3.2Å; F43-P64 WeakPolarHBondContact O-CD 3.31Å; F43-A67 HydrophobicContact CB-CB 4.15Å; F43-A67 HydrophobicContact CD1-CB 4.4Å; F43-Q181 HydrophobicContact CD2-CG 4.43Å; F43-M185 HydrophobicContact CE2-CE 4.42Å
44S80.1Confident86.3Confident14 Ų1453.5 Ų53.510%0.09830%0.303CS..  trans-154.6150.7-179.859.30000111.4G41 K61 C62G41-S44 PolarHBondContact N-O 2.87Å; S44-K61 WeakPolarHBondContact OG-CE 3.34Å; S44-C62 VanDerWaalsContact CA-O 3.29Å; S44-C62 WeakPolarHBondContact CA-O 3.23Å
45E88.2Confident86.2Confident63 Ų6354 Ų5429%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-113.8142.4170-175.6175.1175.500108.8R37 V47 K61 C62R37-E45 HydrophobicContact CG-CG 4.17Å; R37-E45 IonicContact CZ-OE1 3.79Å; R37-E45 IonicContact CZ-OE2 3.72Å; R37-E45 VanDerWaalsContact NE-CD 3.31Å; R37-E45 IonicContact NE-OE1 2.7Å; R37-E45 PolarHBondContact NE-OE1 3.13Å; R37-E45 IonicContact NE-OE2 3.65Å; R37-E45 IonicContact NH2-OE1 2.68Å; R37-E45 PolarHBondContact NH2-OE1 3.37Å; R37-E45 IonicContact NH2-OE2 3.4Å; R37-E45 PolarHBondContact NH2-OE2 3.24Å; E45-V47 HydrophobicContact CG-CG1 3.92Å; E45-K61 CarbonylContact O-C 3.53Å; E45-K61 WeakPolarHBondContact O-CA 3.49Å; E45-C62 PolarHBondContact N-O 2.87Å; E45-C62 PolarHBondContact O-N 2.73Å
46V89.3Confident86.3Confident23 Ų2355.8 Ų55.814%0.13933%0.329CS..EExtended strand (participates in β ladder)trans-115.2122.9172.6-173.60000107.8L38 G39 A59 L60 K61L38-V46 HydrophobicContact CB-CG1 4.24Å; L38-V46 HydrophobicContact CD1-CG1 4.33Å; L38-V46 PolarHBondContact N-O 3.31Å; G39-V46 PolarHBondContact N-O 3.17Å; G39-V46 PolarHBondContact O-N 3Å; V46-A59 HydrophobicContact CG1-CB 4.11Å; V46-L60 WeakPolarHBondContact CA-O 3.49Å; V46-K61 HydrophobicContact CG2-CB 4.19Å; V46-K61 HydrophobicContact CG2-CD 4.43Å; V46-K61 HydrophobicContact CG2-CG 4.04Å
47V93.1Very high86.6Confident7 Ų754.2 Ų54.24%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-120.6148.3179.9-58.80000110.4I34 E36 E45 L60I34-V47 HydrophobicContact CG2-CB 4.15Å; I34-V47 HydrophobicContact CG2-CG1 4.43Å; I34-V47 HydrophobicContact CG2-CG2 3.85Å; E36-V47 WeakPolarHBondContact O-CA 3.4Å; E45-V47 HydrophobicContact CG-CG1 3.92Å; V47-L60 HydrophobicContact CG2-CB 3.89Å; V47-L60 HydrophobicContact CG2-CD2 4.34Å; V47-L60 PolarHBondContact N-O 2.99Å; V47-L60 PolarHBondContact O-N 3.49Å
48L94.6Very high86.8Confident4 Ų447.3 Ų47.32%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-69.2134.1164.7177.764.5000107.4R35 E36 L38 L57 L109R35-L48 WeakPolarHBondContact CA-O 3.45Å; R35-L48 HydrophobicContact CB-CB 4.23Å; R35-L48 HydrophobicContact CB-CD2 4.35Å; R35-L48 HydrophobicContact CB-CG 4.28Å; R35-L48 WeakPolarHBondContact CB-O 3.3Å; R35-L48 PolarHBondContact N-O 2.9Å; E36-L48 HydrophobicContact CG-CB 4.31Å; E36-L48 HydrophobicContact CG-CD2 4.47Å; E36-L48 PolarHBondContact O-N 2.83Å; E36-L48 VanDerWaalsContact OE1-CD2 3.27Å; E36-L48 WeakPolarHBondContact OE1-CD2 3.37Å; L38-L48 HydrophobicContact CD1-CB 4.12Å; L38-L48 HydrophobicContact CD2-CB 4.1Å; L38-L48 HydrophobicContact CG-CB 4.07Å; L48-L57 HydrophobicContact CD1-CB 4.34Å; L48-L57 HydrophobicContact CD1-CD2 4.4Å; L48-L109 HydrophobicContact CD1-CD1 3.84Å; L48-L109 HydrophobicContact CD1-CD2 3.47Å; L48-L109 VanDerWaalsContact CD1-CD2 3.47Å; L48-L109 HydrophobicContact CD1-CG 4.29Å
49A96.3Very high87.4Confident0 Ų045.5 Ų45.50%029%0.289CS..EExtended strand (participates in β ladder)trans-139.9148.5175.900000110.9Y32 E33 L57 V58 L60Y32-A49 HydrophobicContact CD1-CB 4.21Å; Y32-A49 HydrophobicContact CG-CB 4.33Å; E33-A49 WeakPolarHBondContact O-CA 3.37Å; A49-L57 WeakPolarHBondContact O-CA 3.26Å; A49-V58 HydrophobicContact CB-CG2 4.03Å; A49-V58 PolarHBondContact N-O 2.87Å; A49-V58 PolarHBondContact O-N 3.34Å; A49-L60 HydrophobicContact CB-CB 3.92Å; A49-L60 HydrophobicContact CB-CD2 4.16Å
50Q96.8Very high88.2Confident28 Ų2845 Ų4513%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-109.2130.5172.6-174-178.20.800109.1Y32 E33 R52 S54 H56 L57Y32-Q50 CarbonylContact C-O 3.49Å; Y32-Q50 VanDerWaalsContact CA-O 3.26Å; Y32-Q50 WeakPolarHBondContact CA-O 3.45Å; E33-Q50 HydrophobicContact CB-CB 4.43Å; E33-Q50 PolarHBondContact N-O 3.34Å; E33-Q50 PolarHBondContact O-N 3.35Å; Q50-R52 PolarHBondContact O-N 3.13Å; Q50-S54 PolarHBondContact NE2-O 3.36Å; Q50-H56 WeakPolarHBondContact CA-O 3.41Å; Q50-L57 HydrophobicContact CB-CD2 3.69Å; Q50-L57 HydrophobicContact CG-CD2 3.98Å
51E95.9Very high89.1Confident74 Ų7442.7 Ų42.735%0.34627%0.266SS..EExtended strand (participates in β ladder)trans-63.8130172-178.7-168.3-150.800109.8Y32 G53 S54 H56Y32-E51 HydrophobicContact CD1-CB 4.13Å; Y32-E51 HydrophobicContact CE1-CB 3.92Å; Y32-E51 HydrophobicContact CE1-CG 4.44Å; E51-G53 PolarHBondContact O-N 2.97Å; E51-S54 WeakPolarHBondContact CB-OG 2.93Å; E51-S54 PolarHBondContact O-N 3.21Å; E51-S54 VanDerWaalsContact O-O 3.08Å; E51-S54 PolarHBondContact OE2-OG 3.39Å; E51-H56 HydrophobicContact CB-CB 4.44Å; E51-H56 PolarHBondContact N-O 3.4Å
52R94.4Very high90.4Very high134 Ų13441.5 Ų41.551%0.50625%0.251SS..THydrogen-bonded Turntrans-66.5132.3-178.8-74.2-164.2178.5-80.6-1110.7S29 S30 V31 Q50 S54S29-R52 PolarHBondContact O-NE 3.31Å; S29-R52 PolarHBondContact O-NH2 3.33Å; S30-R52 WeakPolarHBondContact O-CD 3.49Å; V31-R52 WeakPolarHBondContact O-CB 3.2Å; V31-R52 PolarHBondContact O-N 3.1Å; Q50-R52 PolarHBondContact O-N 3.13Å; R52-S54 VanDerWaalsContact C-N 3.29Å
53G93Very high91.7Very high93 Ų9338.5 Ų38.596%0.95923%0.226SC*.THydrogen-bonded Turntrans83.41.9-179.200000114.1E51E51-G53 PolarHBondContact O-N 2.97Å
54S94.1Very high92.6Very high38 Ų3836.9 Ų36.927%0.26622%0.223SC..SBendtrans-132.6167.5171.985.30000111.1Q50 E51 R52 H56Q50-S54 PolarHBondContact NE2-O 3.36Å; E51-S54 WeakPolarHBondContact CB-OG 2.93Å; E51-S54 PolarHBondContact O-N 3.21Å; E51-S54 VanDerWaalsContact O-O 3.08Å; E51-S54 PolarHBondContact OE2-OG 3.39Å; R52-S54 VanDerWaalsContact C-N 3.29Å; S54-H56 WeakPolarHBondContact OG-CB 3.41Å; S54-H56 PolarHBondContact OG-N 2.92Å; S54-H56 VanDerWaalsContact OG-N 3.15Å
55A92.1Very high93Very high88 Ų8839 Ų3973%0.72723%0.23SC*.  trans-87.16.6170.900000112.2L57A55-L57 PolarHBondContact O-N 2.91Å
56H94.6Very high93Very high80 Ų8045.1 Ų45.137%0.3726%0.256SS..  trans-75.2126-171.7-16953.1000110.7Q50 E51 S54 E94Q50-H56 WeakPolarHBondContact CA-O 3.41Å; E51-H56 HydrophobicContact CB-CB 4.44Å; E51-H56 PolarHBondContact N-O 3.4Å; S54-H56 WeakPolarHBondContact OG-CB 3.41Å; S54-H56 PolarHBondContact OG-N 2.92Å; S54-H56 VanDerWaalsContact OG-N 3.15Å; H56-E94 IonicContact CD2-OE2 3.69Å; H56-E94 IonicContact CE1-OE1 3.9Å; H56-E94 IonicContact CE1-OE2 3.65Å; H56-E94 IonicContact NE2-OE1 3.69Å; H56-E94 IonicContact NE2-OE2 2.71Å; H56-E94 PolarHBondContact NE2-OE2 3.12Å
57L95.4Very high92.5Very high32 Ų3245.3 Ų45.317%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-108.5138.9-179-66.2174.4000110L48 A49 Q50 A55 L109 F323L48-L57 HydrophobicContact CD1-CB 4.34Å; L48-L57 HydrophobicContact CD1-CD2 4.4Å; A49-L57 WeakPolarHBondContact O-CA 3.26Å; Q50-L57 HydrophobicContact CB-CD2 3.69Å; Q50-L57 HydrophobicContact CG-CD2 3.98Å; A55-L57 PolarHBondContact O-N 2.91Å; L57-L109 HydrophobicContact CB-CD2 3.74Å; L57-L109 HydrophobicContact CD1-CD2 4.31Å; L57-F323 HydrophobicContact CD1-CE2 4.28Å
58V95.7Very high91.9Very high0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-132.9155.8-179.2-59.20000111Y32 A49 E94 A106 M107Y32-V58 HydrophobicContact CD1-CG2 3.87Å; Y32-V58 HydrophobicContact CE1-CG1 4.46Å; Y32-V58 HydrophobicContact CE1-CG2 3.61Å; A49-V58 HydrophobicContact CB-CG2 4.03Å; A49-V58 PolarHBondContact N-O 2.87Å; A49-V58 PolarHBondContact O-N 3.34Å; V58-E94 WeakPolarHBondContact CG1-OE2 3.36Å; V58-A106 HydrophobicContact CB-CB 4.47Å; V58-A106 HydrophobicContact CG2-CB 4.3Å; V58-M107 WeakPolarHBondContact CA-O 3.45Å; V58-M107 WeakPolarHBondContact CB-O 3.34Å
59A94.1Very high91.4Very high14 Ų1455.7 Ų55.712%0.11630%0.299CS..EExtended strand (participates in β ladder)trans-88109.916100000108.3L38 V46 M107 L109L38-A59 HydrophobicContact CD1-CB 4.03Å; V46-A59 HydrophobicContact CG1-CB 4.11Å; A59-M107 HydrophobicContact CB-CB 4.43Å; A59-M107 PolarHBondContact N-O 3.42Å; A59-M107 WeakPolarHBondContact O-CB 3.42Å; A59-M107 PolarHBondContact O-N 2.91Å; A59-L109 HydrophobicContact CB-CD1 4.2Å
60L94.3Very high90.7Very high0 Ų058.9 Ų58.90%033%0.332CS..EExtended strand (participates in β ladder)trans-96.3108.3-177.3-168.869.8000110I28 Y32 V46 V47 A49 Y104 A106I28-L60 HydrophobicContact CG1-CD2 3.94Å; Y32-L60 HydrophobicContact CD2-CD1 4.39Å; Y32-L60 HydrophobicContact CD2-CD2 4.42Å; Y32-L60 HydrophobicContact CE2-CD1 4.34Å; V46-L60 WeakPolarHBondContact CA-O 3.49Å; V47-L60 HydrophobicContact CG2-CB 3.89Å; V47-L60 HydrophobicContact CG2-CD2 4.34Å; V47-L60 PolarHBondContact N-O 2.99Å; V47-L60 PolarHBondContact O-N 3.49Å; A49-L60 HydrophobicContact CB-CB 3.92Å; A49-L60 HydrophobicContact CB-CD2 4.16Å; L60-Y104 HydrophobicContact CD2-CD1 4.27Å; L60-Y104 HydrophobicContact CG-CD1 4.43Å; L60-A106 HydrophobicContact CD1-CB 4.04Å
61K91.8Very high90Very high12 Ų1259.2 Ų59.25%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-86.8111.8175.2-173.8170-174.3169.90110.1S44 E45 V46 I63 Y104 L105 M107 D174S44-K61 WeakPolarHBondContact OG-CE 3.34Å; E45-K61 CarbonylContact O-C 3.53Å; E45-K61 WeakPolarHBondContact O-CA 3.49Å; V46-K61 HydrophobicContact CG2-CB 4.19Å; V46-K61 HydrophobicContact CG2-CD 4.43Å; V46-K61 HydrophobicContact CG2-CG 4.04Å; K61-I63 HydrophobicContact CD-CD1 4.43Å; K61-I63 HydrophobicContact CG-CD1 4.26Å; K61-I63 HydrophobicContact CG-CG1 4.1Å; K61-Y104 WeakPolarHBondContact O-CA 3.38Å; K61-L105 HydrophobicContact CB-CB 4.24Å; K61-L105 PolarHBondContact N-O 3.46Å; K61-L105 PolarHBondContact O-N 3.36Å; K61-M107 HydrophobicContact CB-SD 4.29Å; K61-M107 HydrophobicContact CD-SD 4.4Å; K61-D174 IonicContact NZ-OD1 3.69Å; K61-D174 PolarHBondContact NZ-OD1 3.08Å
62C92.4Very high89.3Confident17 Ų1760.4 Ų60.412%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-95.8119.5-179-55.90000110.1S44 E45 Y104S44-C62 VanDerWaalsContact CA-O 3.29Å; S44-C62 WeakPolarHBondContact CA-O 3.23Å; E45-C62 PolarHBondContact N-O 2.87Å; E45-C62 PolarHBondContact O-N 2.73Å; C62-Y104 HydrophobicContact CB-CD1 4.09Å; C62-Y104 HydrophobicContact CB-CE1 4.11Å; C62-Y104 VanDerWaalsContact SG-CD1 3.6Å
63I89.5Confident88.6Confident6 Ų657.6 Ų57.63%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-123.9115.2-175.2-50.4-179000109.4K61 K65 L68 H102 L103 L105 L177K61-I63 HydrophobicContact CD-CD1 4.43Å; K61-I63 HydrophobicContact CG-CD1 4.26Å; K61-I63 HydrophobicContact CG-CG1 4.1Å; I63-K65 PolarHBondContact O-N 2.78Å; I63-L68 HydrophobicContact CG2-CD1 3.95Å; I63-L68 HydrophobicContact CG2-CD2 3.95Å; I63-L68 HydrophobicContact CG2-CG 4.01Å; I63-H102 CarbonylContact O-C 3.58Å; I63-H102 WeakPolarHBondContact O-CA 3.43Å; I63-L103 HydrophobicContact CB-CB 4.43Å; I63-L103 PolarHBondContact N-O 2.87Å; I63-L103 PolarHBondContact O-N 2.89Å; I63-L105 HydrophobicContact CD1-CD1 4.14Å; I63-L177 HydrophobicContact CD1-CD1 3.21Å
64P89.6Confident87.8Confident47 Ų4757.5 Ų57.531%0.30532%0.321SS..EExtended strand (participates in β ladder)trans-62.7128.3176.6-21.132.9000110.9F43 K66 A67F43-P64 WeakPolarHBondContact O-CD 3.31Å; P64-K66 PolarHBondContact O-N 2.95Å; P64-K66 VanDerWaalsContact O-N 3.11Å; P64-A67 WeakPolarHBondContact O-CB 3.42Å; P64-A67 PolarHBondContact O-N 2.95Å
65K88.6Confident87.2Confident58 Ų5855.9 Ų55.925%0.25231%0.31SS..G310 helixtrans-58.8-27.6177.5-80.6-179.8163.9-178.60113.3I63 A67 L68 R69 E98 S99 P100 S101I63-K65 PolarHBondContact O-N 2.78Å; K65-A67 PolarHBondContact O-N 3.21Å; K65-L68 CarbonylContact O-C 3.59Å; K65-L68 WeakPolarHBondContact O-CA 3.4Å; K65-L68 WeakPolarHBondContact O-CB 3.23Å; K65-L68 PolarHBondContact O-N 2.74Å; K65-R69 PolarHBondContact O-N 2.91Å; K65-E98 WeakPolarHBondContact CE-OE1 3.48Å; K65-E98 VanDerWaalsContact NZ-CG 3.33Å; K65-E98 IonicContact NZ-OE1 2.88Å; K65-E98 PolarHBondContact NZ-OE1 3.4Å; K65-S99 WeakPolarHBondContact CE-O 3.36Å; K65-S99 PolarHBondContact NZ-O 3.11Å; K65-P100 WeakPolarHBondContact CD-O 3.37Å; K65-S101 WeakPolarHBondContact CB-O 3.4Å; K65-S101 PolarHBondContact N-O 3.18Å
66K87.3Confident86.7Confident193 Ų19356.2 Ų56.284%0.83930%0.296SS*.G310 helixtrans-55.9-35173.4-68.7-176180178.40112.2P64 L68P64-K66 PolarHBondContact O-N 2.95Å; P64-K66 VanDerWaalsContact O-N 3.11Å; K66-L68 PolarHBondContact O-N 3.09Å
67A79.4Confident86Confident26 Ų2657.5 Ų57.522%0.21531%0.306CS..G310 helixtrans-73.8-16.2176.800000113.2F43 P64 K65F43-A67 HydrophobicContact CB-CB 4.15Å; F43-A67 HydrophobicContact CD1-CB 4.4Å; P64-A67 WeakPolarHBondContact O-CB 3.42Å; P64-A67 PolarHBondContact O-N 2.95Å; K65-A67 PolarHBondContact O-N 3.21Å
68L80.9Confident85.2Confident15 Ų1557.4 Ų57.48%0.07931%0.305CS..G310 helixtrans-102.8-1.8-176.5-55179.5000113.2I63 K65 K66 G70 K71 V75 L103 I180I63-L68 HydrophobicContact CG2-CD1 3.95Å; I63-L68 HydrophobicContact CG2-CD2 3.95Å; I63-L68 HydrophobicContact CG2-CG 4.01Å; K65-L68 CarbonylContact O-C 3.59Å; K65-L68 WeakPolarHBondContact O-CA 3.4Å; K65-L68 WeakPolarHBondContact O-CB 3.23Å; K65-L68 PolarHBondContact O-N 2.74Å; K66-L68 PolarHBondContact O-N 3.09Å; L68-G70 PolarHBondContact O-N 3.16Å; L68-K71 PolarHBondContact O-N 3.22Å; L68-V75 HydrophobicContact CB-CG2 4.23Å; L68-V75 HydrophobicContact CD1-CG1 4.35Å; L68-V75 HydrophobicContact CD1-CG2 4.13Å; L68-V75 HydrophobicContact CD2-CG2 3.85Å; L68-V75 HydrophobicContact CG-CG2 4.29Å; L68-L103 HydrophobicContact CD1-CB 4.18Å; L68-L103 HydrophobicContact CD1-CD2 4.06Å; L68-I180 HydrophobicContact CD2-CG2 4.27Å
69R83.1Confident84.7Confident215 Ų21557.4 Ų57.481%0.81131%0.305SS*.THydrogen-bonded Turntrans-57.8127.4-174.3-169179.8-177.2-169.40.5111.3K65 K71 E72K65-R69 PolarHBondContact O-N 2.91Å; R69-K71 VanDerWaalsContact C-N 3.29Å; R69-E72 WeakPolarHBondContact CA-OE1 3.08Å
70G82.2Confident84.2Confident67 Ų6758.1 Ų58.169%0.69131%0.311SS*.THydrogen-bonded Turntrans80.44.8-177.600000114.5L68 E72L68-G70 PolarHBondContact O-N 3.16Å; G70-E72 VanDerWaalsContact C-OE2 3.26Å; G70-E72 WeakPolarHBondContact CA-OE2 3.11Å; G70-E72 VanDerWaalsContact N-CD 3.31Å; G70-E72 PolarHBondContact N-OE1 2.9Å; G70-E72 PolarHBondContact N-OE2 2.91Å
71K80.9Confident83.6Confident34 Ų3460.5 Ų60.515%0.14833%0.325CS..  trans-12714.5178.3-57.7-179-174.51690112.2L68 R69 A73 L74 V75 I180 N184L68-K71 PolarHBondContact O-N 3.22Å; R69-K71 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 3.27Å; K71-L74 HydrophobicContact CB-CD1 4.35Å; K71-L74 WeakPolarHBondContact O-CB 3.08Å; K71-L74 PolarHBondContact O-N 2.92Å; K71-V75 WeakPolarHBondContact O-CG2 3.49Å; K71-V75 PolarHBondContact O-N 3.18Å; K71-I180 HydrophobicContact CB-CG2 3.93Å; K71-I180 HydrophobicContact CD-CB 4.38Å; K71-I180 HydrophobicContact CD-CG2 3.42Å; K71-I180 VanDerWaalsContact CD-CG2 3.42Å; K71-I180 HydrophobicContact CG-CG2 4.31Å; K71-I180 PolarHBondContact NZ-O 3.43Å; K71-N184 PolarHBondContact NZ-ND2 2.83Å; K71-N184 PolarHBondContact NZ-OD1 3.16Å
72E82.3Confident83.3Confident99 Ų9960.4 Ų60.446%0.46333%0.325SS..Hα-helixtrans-56.9-45.2-172.1-63.982.717500112.2R69 G70 L74 V75 E76R69-E72 WeakPolarHBondContact CA-OE1 3.08Å; G70-E72 VanDerWaalsContact C-OE2 3.26Å; G70-E72 WeakPolarHBondContact CA-OE2 3.11Å; G70-E72 VanDerWaalsContact N-CD 3.31Å; G70-E72 PolarHBondContact N-OE1 2.9Å; G70-E72 PolarHBondContact N-OE2 2.91Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 3.08Å; E72-V75 WeakPolarHBondContact O-CB 3.48Å; E72-V75 PolarHBondContact O-N 3.3Å; E72-E76 PolarHBondContact O-N 2.87Å
73A78.6Confident83Confident76 Ų7663.3 Ų63.363%0.62833%0.334SS*.Hα-helixtrans-64.6-33.7177.300000113K71 N77K71-A73 PolarHBondContact O-N 3.27Å; A73-N77 PolarHBondContact O-N 3.2Å; A73-N77 VanDerWaalsContact O-N 3.12Å
74L76.6Confident82.8Confident91 Ų9172.8 Ų72.848%0.47637%0.369SS..Hα-helixtrans-68.3-42.9175-66.2171.7000110.6K71 E72 E76 N77 E78 I180K71-L74 HydrophobicContact CB-CD1 4.35Å; K71-L74 WeakPolarHBondContact O-CB 3.08Å; K71-L74 PolarHBondContact O-N 2.92Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 3.08Å; L74-E76 VanDerWaalsContact C-N 3.32Å; L74-E76 PolarHBondContact O-N 2.94Å; L74-N77 PolarHBondContact O-N 2.94Å; L74-E78 WeakPolarHBondContact O-CB 3.43Å; L74-E78 PolarHBondContact O-N 3.39Å; L74-I180 HydrophobicContact CB-CD1 3.8Å; L74-I180 HydrophobicContact CB-CG1 4.11Å
75V81.4Confident82.9Confident4 Ų471.2 Ų71.22%0.02436%0.358CS..Hα-helixtrans-59.6-44176.7174.90000110.6L68 K71 E72 E78 I79 L103 L177 I180L68-V75 HydrophobicContact CB-CG2 4.23Å; L68-V75 HydrophobicContact CD1-CG1 4.35Å; L68-V75 HydrophobicContact CD1-CG2 4.13Å; L68-V75 HydrophobicContact CD2-CG2 3.85Å; L68-V75 HydrophobicContact CG-CG2 4.29Å; K71-V75 WeakPolarHBondContact O-CG2 3.49Å; K71-V75 PolarHBondContact O-N 3.18Å; E72-V75 WeakPolarHBondContact O-CB 3.48Å; E72-V75 PolarHBondContact O-N 3.3Å; V75-E78 PolarHBondContact O-N 2.84Å; V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 HydrophobicContact CG1-CG1 4.39Å; V75-I79 WeakPolarHBondContact O-CD1 3.02Å; V75-I79 VanDerWaalsContact O-CG1 3.28Å; V75-I79 WeakPolarHBondContact O-CG1 3.28Å; V75-I79 PolarHBondContact O-N 3.23Å; V75-L103 HydrophobicContact CG1-CD2 3.62Å; V75-L177 HydrophobicContact CB-CD2 4.34Å; V75-L177 HydrophobicContact CG1-CD2 4.03Å; V75-L177 HydrophobicContact CG2-CD2 4.26Å; V75-I180 HydrophobicContact CB-CD1 4.04Å; V75-I180 HydrophobicContact CG2-CD1 3.38Å; V75-I180 HydrophobicContact CG2-CG2 4.43Å
76E82.6Confident83Confident94 Ų9473.3 Ų73.344%0.43938%0.38SS..Hα-helixtrans-62.8-47.7178.6-78.5-179.9175.100112.8L21 K22 E72 L74 E78 I79 A80L21-E76 WeakPolarHBondContact CD2-O 3.49Å; K22-E76 IonicContact NZ-OE1 3.9Å; K22-E76 PolarHBondContact NZ-OE1 3.08Å; E72-E76 PolarHBondContact O-N 2.87Å; L74-E76 VanDerWaalsContact C-N 3.32Å; L74-E76 PolarHBondContact O-N 2.94Å; E76-E78 VanDerWaalsContact C-N 3.26Å; E76-E78 PolarHBondContact O-N 3Å; E76-I79 PolarHBondContact O-N 3.4Å; E76-A80 PolarHBondContact O-N 3.36Å
77N79.2Confident83.4Confident107 Ų10766.1 Ų66.157%0.57235%0.349SS*.Hα-helixtrans-61.1-39.8175.9-176.258.8000111.3A73 L74 A80 V81A73-N77 PolarHBondContact O-N 3.2Å; A73-N77 VanDerWaalsContact O-N 3.12Å; L74-N77 PolarHBondContact O-N 2.94Å; N77-A80 WeakPolarHBondContact O-CB 3.11Å; N77-A80 PolarHBondContact O-N 3.3Å; N77-V81 WeakPolarHBondContact O-CG2 3.43Å; N77-V81 PolarHBondContact O-N 3.09Å; N77-V81 VanDerWaalsContact O-N 3.1Å
78E79.4Confident84.2Confident30 Ų3068.6 Ų68.614%0.1436%0.363CS..Hα-helixtrans-66.4-45.2178.4-168153.3-167.300111.9L74 V75 E76 A80 V81 L82 L177 I180L74-E78 WeakPolarHBondContact O-CB 3.43Å; L74-E78 PolarHBondContact O-N 3.39Å; V75-E78 PolarHBondContact O-N 2.84Å; E76-E78 VanDerWaalsContact C-N 3.26Å; E76-E78 PolarHBondContact O-N 3Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 2.65Å; E78-V81 WeakPolarHBondContact O-CB 3.46Å; E78-V81 PolarHBondContact O-N 2.91Å; E78-V81 VanDerWaalsContact O-N 3.13Å; E78-L82 HydrophobicContact CG-CD1 4.27Å; E78-L82 HydrophobicContact CG-CG 4.38Å; E78-L82 WeakPolarHBondContact O-CB 3.37Å; E78-L82 VanDerWaalsContact O-CG 3.23Å; E78-L82 WeakPolarHBondContact O-CG 3.17Å; E78-L82 PolarHBondContact O-N 3.34Å; E78-L177 HydrophobicContact CB-CD2 4.08Å; E78-L177 VanDerWaalsContact CD-CA 3.4Å; E78-L177 HydrophobicContact CG-CD2 4.01Å; E78-L177 WeakPolarHBondContact OE1-CA 3.49Å; E78-L177 PolarHBondContact OE1-N 2.97Å; E78-L177 WeakPolarHBondContact OE2-CA 3.42Å; E78-I180 WeakPolarHBondContact OE2-CD1 3.48Å; E78-I180 WeakPolarHBondContact OE2-CG1 3.32Å
79I84.5Confident85Confident0 Ų068.8 Ų68.80%036%0.364CS..Hα-helixtrans-57.1-42.2172.7-69.6160.3000111.3L21 K22 V75 E76 V81 L82 R83 V96 L103 L105L21-I79 HydrophobicContact CD2-CB 3.97Å; L21-I79 HydrophobicContact CD2-CG2 3.71Å; L21-I79 HydrophobicContact CG-CG2 4.33Å; K22-I79 HydrophobicContact CD-CD1 4.2Å; K22-I79 VanDerWaalsContact CE-CD1 3.46Å; K22-I79 HydrophobicContact CG-CD1 4.28Å; V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 HydrophobicContact CG1-CG1 4.39Å; V75-I79 WeakPolarHBondContact O-CD1 3.02Å; V75-I79 VanDerWaalsContact O-CG1 3.28Å; V75-I79 WeakPolarHBondContact O-CG1 3.28Å; V75-I79 PolarHBondContact O-N 3.23Å; E76-I79 PolarHBondContact O-N 3.4Å; I79-V81 PolarHBondContact O-N 2.79Å; I79-L82 PolarHBondContact O-N 3.01Å; I79-R83 HydrophobicContact CG2-CG 4.4Å; I79-R83 WeakPolarHBondContact O-CG 3.33Å; I79-R83 PolarHBondContact O-N 3.1Å; I79-V96 HydrophobicContact CD1-CG1 4.17Å; I79-V96 HydrophobicContact CG2-CB 4.44Å; I79-V96 HydrophobicContact CG2-CG1 4.34Å; I79-V96 HydrophobicContact CG2-CG2 3.82Å; I79-L103 HydrophobicContact CD1-CD1 4.04Å; I79-L103 HydrophobicContact CD1-CD2 3.9Å; I79-L105 HydrophobicContact CG1-CD2 4.35Å
80A84Confident85.6Confident30 Ų3058.7 Ų58.725%0.24833%0.326CS..Hα-helixtrans-61.3-38.2-179.800000111.4L21 E76 N77 E78 R84L21-A80 HydrophobicContact CD1-CB 3.8Å; L21-A80 HydrophobicContact CD2-CB 3.81Å; L21-A80 HydrophobicContact CG-CB 4.28Å; E76-A80 PolarHBondContact O-N 3.36Å; N77-A80 WeakPolarHBondContact O-CB 3.11Å; N77-A80 PolarHBondContact O-N 3.3Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 2.65Å; A80-R84 WeakPolarHBondContact O-CG 3.37Å
81V82.4Confident86.1Confident49 Ų4955.8 Ų55.830%0.29730%0.295SS..Hα-helixtrans-71.6-46.1175172.30000110.7N77 E78 I79 R83 R84 I149N77-V81 WeakPolarHBondContact O-CG2 3.43Å; N77-V81 PolarHBondContact O-N 3.09Å; N77-V81 VanDerWaalsContact O-N 3.1Å; E78-V81 WeakPolarHBondContact O-CB 3.46Å; E78-V81 PolarHBondContact O-N 2.91Å; E78-V81 VanDerWaalsContact O-N 3.13Å; I79-V81 PolarHBondContact O-N 2.79Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 2.89Å; V81-R84 WeakPolarHBondContact O-CB 3.46Å; V81-R84 PolarHBondContact O-N 3.48Å; V81-I149 HydrophobicContact CG1-CD1 3.29Å; V81-I149 HydrophobicContact CG1-CG1 3.78Å
82L84.3Confident86.6Confident10 Ų1055.8 Ų55.85%0.05230%0.302CS..Hα-helixtrans-57.5-40.8-179-69.6173.9000112.5E78 I79 R84 I85 L93 F175E78-L82 HydrophobicContact CG-CD1 4.27Å; E78-L82 HydrophobicContact CG-CG 4.38Å; E78-L82 WeakPolarHBondContact O-CB 3.37Å; E78-L82 VanDerWaalsContact O-CG 3.23Å; E78-L82 WeakPolarHBondContact O-CG 3.17Å; E78-L82 PolarHBondContact O-N 3.34Å; I79-L82 PolarHBondContact O-N 3.01Å; L82-R84 PolarHBondContact O-N 3.07Å; L82-R84 VanDerWaalsContact O-N 3.17Å; L82-I85 HydrophobicContact CD2-CD1 4.02Å; L82-I85 PolarHBondContact O-N 3.36Å; L82-L93 HydrophobicContact CB-CB 4.49Å; L82-L93 HydrophobicContact CB-CD2 3.55Å; L82-L93 HydrophobicContact CD1-CD2 4.4Å; L82-F175 HydrophobicContact CD2-CD2 3.56Å; L82-F175 HydrophobicContact CD2-CE2 3.22Å; L82-F175 HydrophobicContact CD2-CZ 4.19Å
83R86.6Confident87.1Confident78 Ų7852 Ų5229%0.29429%0.285SS..THydrogen-bonded Turntrans-65.2-16.5177.8-70.2-173.778.3174.84114.3L20 L21 I79 V81 L93L20-R83 PolarHBondContact O-NH1 3.34Å; L21-R83 PolarHBondContact O-NH1 2.7Å; L21-R83 VanDerWaalsContact O-NH1 3.14Å; I79-R83 HydrophobicContact CG2-CG 4.4Å; I79-R83 WeakPolarHBondContact O-CG 3.33Å; I79-R83 PolarHBondContact O-N 3.1Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 2.89Å; R83-L93 HydrophobicContact CG-CD2 3.78Å; R83-L93 HydrophobicContact CG-CG 4.41Å
84R85.5Confident87.8Confident206 Ų20652 Ų5278%0.77727%0.271SS*.THydrogen-bonded Turntrans-96.9-8.4-178.8-64.2173.964.7176.50.5112.9A80 V81 L82 S86A80-R84 WeakPolarHBondContact O-CG 3.37Å; V81-R84 WeakPolarHBondContact O-CB 3.46Å; V81-R84 PolarHBondContact O-N 3.48Å; L82-R84 PolarHBondContact O-N 3.07Å; L82-R84 VanDerWaalsContact O-N 3.17Å; R84-S86 PolarHBondContact O-N 2.97Å
85I90.1Very high88.6Confident14 Ų1448.5 Ų48.57%0.07225%0.253CS..  trans-76124.7-179.2-72164.2000108.4L82 I90 Y143 L144 L147 I149 F175L82-I85 HydrophobicContact CD2-CD1 4.02Å; L82-I85 PolarHBondContact O-N 3.36Å; I85-I90 HydrophobicContact CG2-CB 4.36Å; I85-I90 HydrophobicContact CG2-CD1 4.19Å; I85-I90 HydrophobicContact CG2-CG2 3.76Å; I85-Y143 HydrophobicContact CB-CE1 4.45Å; I85-Y143 HydrophobicContact CG1-CE1 4.48Å; I85-Y143 HydrophobicContact CG2-CE1 4.02Å; I85-L144 HydrophobicContact CD1-CD2 3.9Å; I85-L144 HydrophobicContact CG1-CD2 4.43Å; I85-L144 HydrophobicContact CG2-CD2 4.42Å; I85-L147 HydrophobicContact CG1-CD1 3.9Å; I85-I149 HydrophobicContact CD1-CD1 3.43Å; I85-I149 VanDerWaalsContact CD1-CD1 3.43Å; I85-I149 HydrophobicContact CG1-CD1 4.05Å; I85-F175 HydrophobicContact CD1-CD2 4.07Å; I85-F175 HydrophobicContact CD1-CE2 3.45Å; I85-F175 VanDerWaalsContact CD1-CE2 3.45Å; I85-F175 HydrophobicContact CD1-CZ 4.42Å; I85-F175 HydrophobicContact CG2-CE2 4.18Å; I85-F175 HydrophobicContact CG2-CZ 4.22Å
86S91.8Very high89.2Confident102 Ų10248.3 Ų48.371%0.71325%0.252SS*.  trans-143.7105.8175.7-172.80000108R84 Y143R84-S86 PolarHBondContact O-N 2.97Å; S86-Y143 PolarHBondContact N-OH 3.31Å; S86-Y143 VanDerWaalsContact N-OH 3.13Å; S86-Y143 PolarHBondContact O-OH 3.04Å
87H95.9Very high89.8Confident42 Ų4244.1 Ų44.119%0.19423%0.232CC..  trans-148.7138.9179.9-174.2-88.6000108.9N89 I90 Y143H87-N89 PolarHBondContact ND1-N 3.3Å; H87-N89 PolarHBondContact O-N 2.87Å; H87-N89 VanDerWaalsContact O-N 3.11Å; H87-I90 HydrophobicContact CB-CB 4.08Å; H87-I90 HydrophobicContact CB-CD1 3.63Å; H87-I90 HydrophobicContact CB-CG1 3.8Å; H87-I90 PolarHBondContact O-N 2.8Å; H87-I90 VanDerWaalsContact O-N 3.16Å; H87-Y143 HydrophobicContact CB-CD1 3.82Å; H87-Y143 HydrophobicContact CB-CE1 4.04Å; H87-Y143 HydrophobicContact CB-CG 4.24Å; H87-Y143 AromaticContact CD2-CG 3.83Å
88P96.1Very high90.5Very high78 Ų7840.4 Ų40.451%0.50621%0.212SC..THydrogen-bonded Turntrans-60.1-25.8-175.522.8-35.2000114.1K169P88-K169 WeakPolarHBondContact O-CD 3.3Å; P88-K169 VanDerWaalsContact O-CE 3.32Å; P88-K169 WeakPolarHBondContact O-CE 3.33Å; P88-K169 PolarHBondContact O-NZ 3.48Å
89N97.3Very high91.2Very high18 Ų1839.1 Ų39.110%0.09621%0.206CC..THydrogen-bonded Turntrans-107.423.9-179.2-57.7103000113.4H87 Q136 A140 I170 V172H87-N89 PolarHBondContact ND1-N 3.3Å; H87-N89 PolarHBondContact O-N 2.87Å; H87-N89 VanDerWaalsContact O-N 3.11Å; N89-Q136 PolarHBondContact ND2-OE1 3.05Å; N89-A140 HydrophobicContact CB-CB 4.01Å; N89-I170 WeakPolarHBondContact CB-O 3.46Å; N89-I170 PolarHBondContact ND2-O 3.06Å; N89-V172 PolarHBondContact O-N 2.62Å
90I95.4Very high91.6Very high4 Ų444.3 Ų44.32%0.02124%0.24CC..BIsolated β-bridgetrans-130131.1176.9-59.6178.5000108.6I85 H87 A92 A140 Y143 L144 M171 F175I85-I90 HydrophobicContact CG2-CB 4.36Å; I85-I90 HydrophobicContact CG2-CD1 4.19Å; I85-I90 HydrophobicContact CG2-CG2 3.76Å; H87-I90 HydrophobicContact CB-CB 4.08Å; H87-I90 HydrophobicContact CB-CD1 3.63Å; H87-I90 HydrophobicContact CB-CG1 3.8Å; H87-I90 PolarHBondContact O-N 2.8Å; H87-I90 VanDerWaalsContact O-N 3.16Å; I90-A92 PolarHBondContact O-N 2.75Å; I90-A140 HydrophobicContact CD1-CB 4.1Å; I90-A140 HydrophobicContact CG1-CB 3.65Å; I90-Y143 HydrophobicContact CD1-CD1 3.72Å; I90-Y143 HydrophobicContact CD1-CE1 4.37Å; I90-L144 HydrophobicContact CD1-CD1 4.25Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 3.71Å; I90-M171 WeakPolarHBondContact O-CE 3.35Å; I90-F175 HydrophobicContact CG2-CD1 3.78Å; I90-F175 HydrophobicContact CG2-CE1 3.13Å; I90-F175 HydrophobicContact CG2-CE2 4.08Å; I90-F175 HydrophobicContact CG2-CZ 3.31Å
91V93.2Very high91.9Very high5 Ų546.1 Ų46.13%0.0325%0.25CS..  trans-61.3123.9177.5175.80000110.1M107 E108 V110 M171 V172 F175V91-M107 HydrophobicContact CB-CE 4.4Å; V91-M107 HydrophobicContact CG1-CB 4.04Å; V91-M107 HydrophobicContact CG1-CE 3.81Å; V91-E108 HydrophobicContact CG1-CB 4.05Å; V91-E108 WeakPolarHBondContact CG1-O 3.42Å; V91-V110 HydrophobicContact CG2-CG1 3.99Å; V91-M171 HydrophobicContact CG2-CB 4.04Å; V91-V172 PolarHBondContact N-O 3.07Å; V91-F175 WeakPolarHBondContact O-CE1 3.32Å; V91-F175 WeakPolarHBondContact O-CZ 3.33Å
92A92.4Very high92.4Very high35 Ų3546.3 Ų46.329%0.28925%0.248SC..  trans-73.9145.3-178.400000112.7I90 M107 E108I90-A92 PolarHBondContact O-N 2.75Å; A92-M107 CarbonylContact O-C 3.56Å; A92-M107 VanDerWaalsContact O-CA 3.31Å; A92-M107 WeakPolarHBondContact O-CA 3.33Å; A92-E108 HydrophobicContact CB-CB 4.15Å; A92-E108 PolarHBondContact N-OE2 3.4Å; A92-E108 PolarHBondContact O-N 2.9Å
93L92.8Very high92.8Very high20 Ų2046 Ų4611%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-91.4110.3164.9178.364.5000108.6L82 R83 V96 L105 M107L82-L93 HydrophobicContact CB-CB 4.49Å; L82-L93 HydrophobicContact CB-CD2 3.55Å; L82-L93 HydrophobicContact CD1-CD2 4.4Å; R83-L93 HydrophobicContact CG-CD2 3.78Å; R83-L93 HydrophobicContact CG-CG 4.41Å; L93-V96 HydrophobicContact CD1-CG2 4.02Å; L93-V96 HydrophobicContact CD2-CG2 3.76Å; L93-V96 HydrophobicContact CG-CG2 4.12Å; L93-L105 HydrophobicContact CD1-CB 3.77Å; L93-L105 HydrophobicContact CD1-CD2 4.36Å; L93-M107 HydrophobicContact CD1-CG 4.25Å
94E92.7Very high93.1Very high74 Ų7443.3 Ų43.335%0.34624%0.237SC..EExtended strand (participates in β ladder)trans-87.1-45.6-174.5-58.7-175176.700111.7H56 V58 A106 E108H56-E94 IonicContact CD2-OE2 3.69Å; H56-E94 IonicContact CE1-OE1 3.9Å; H56-E94 IonicContact CE1-OE2 3.65Å; H56-E94 IonicContact NE2-OE1 3.69Å; H56-E94 IonicContact NE2-OE2 2.71Å; H56-E94 PolarHBondContact NE2-OE2 3.12Å; V58-E94 WeakPolarHBondContact CG1-OE2 3.36Å; E94-A106 PolarHBondContact N-O 2.83Å; E94-E108 WeakPolarHBondContact OE1-CA 3.41Å
95D93.3Very high93.5Very high19 Ų1933.7 Ų33.710%0.10220%0.2CC..EExtended strand (participates in β ladder)trans-150.1162.2-178.1-149.9-5.5000112.8K23 H97 A106K23-D95 VanDerWaalsContact CE-OD1 3.32Å; K23-D95 WeakPolarHBondContact CE-OD1 3.49Å; K23-D95 WeakPolarHBondContact CE-OD2 3.2Å; K23-D95 IonicContact NZ-OD1 3.5Å; K23-D95 IonicContact NZ-OD2 2.63Å; K23-D95 PolarHBondContact NZ-OD2 3.15Å; D95-H97 IonicContact OD2-CE1 2.76Å; D95-H97 IonicContact OD2-NE2 3.2Å; D95-H97 PolarHBondContact OD2-NE2 3Å; D95-A106 HydrophobicContact CB-CB 4Å; D95-A106 PolarHBondContact N-O 3.15Å; D95-A106 PolarHBondContact O-N 2.92Å
96V93.9Very high93.7Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-137.1125179.2-177.40000110.5K22 K23 I79 L93 L103 Y104 L105K22-V96 HydrophobicContact CB-CG1 4.05Å; K22-V96 HydrophobicContact CG-CG1 3.79Å; K23-V96 PolarHBondContact N-O 3.46Å; I79-V96 HydrophobicContact CD1-CG1 4.17Å; I79-V96 HydrophobicContact CG2-CB 4.44Å; I79-V96 HydrophobicContact CG2-CG1 4.34Å; I79-V96 HydrophobicContact CG2-CG2 3.82Å; L93-V96 HydrophobicContact CD1-CG2 4.02Å; L93-V96 HydrophobicContact CD2-CG2 3.76Å; L93-V96 HydrophobicContact CG-CG2 4.12Å; V96-L103 HydrophobicContact CG1-CD1 3.77Å; V96-Y104 WeakPolarHBondContact CA-O 3.43Å; V96-L105 HydrophobicContact CB-CD2 4.48Å; V96-L105 HydrophobicContact CG1-CD2 3.9Å; V96-L105 HydrophobicContact CG2-CD2 3.92Å
97H94.9Very high93.8Very high5 Ų529.2 Ų29.22%0.02317%0.168CC..EExtended strand (participates in β ladder)trans-119.1145.8177.1-63.3-102.5000111.2K23 T25 I28 Y32 D95 Y104K23-H97 CarbonylContact O-C 3.55Å; K23-H97 VanDerWaalsContact O-CA 3.3Å; K23-H97 WeakPolarHBondContact O-CA 3.49Å; T25-H97 PolarHBondContact OG1-ND1 2.99Å; I28-H97 HydrophobicContact CD1-CB 3.74Å; Y32-H97 AromaticContact CE2-CD2 3.83Å; Y32-H97 AromaticContact CE2-NE2 3.62Å; D95-H97 IonicContact OD2-CE1 2.76Å; D95-H97 IonicContact OD2-NE2 3.2Å; D95-H97 PolarHBondContact OD2-NE2 3Å; H97-Y104 HydrophobicContact CB-CD2 4.27Å; H97-Y104 PolarHBondContact N-O 3.41Å; H97-Y104 PolarHBondContact O-N 3.3Å
98E93.9Very high93.7Very high29 Ų2930 Ų3014%0.13617%0.172CC..EExtended strand (participates in β ladder)trans-130.1119.6178.5-170.8176.6152.200110.3K22 K23 H24 T25 K65 L103K22-E98 HydrophobicContact CB-CB 4.46Å; K22-E98 HydrophobicContact CD-CB 4.4Å; K22-E98 WeakPolarHBondContact CD-OE2 3.32Å; K22-E98 WeakPolarHBondContact CE-OE2 3.43Å; K22-E98 IonicContact NZ-OE2 2.91Å; K22-E98 PolarHBondContact NZ-OE2 3.06Å; K23-E98 PolarHBondContact O-N 3.04Å; H24-E98 WeakPolarHBondContact CA-O 3.38Å; T25-E98 PolarHBondContact N-O 3.22Å; K65-E98 WeakPolarHBondContact CE-OE1 3.48Å; K65-E98 VanDerWaalsContact NZ-CG 3.33Å; K65-E98 IonicContact NZ-OE1 2.88Å; K65-E98 PolarHBondContact NZ-OE1 3.4Å; E98-L103 HydrophobicContact CB-CD1 4.42Å
99S94Very high93.5Very high4 Ų427.9 Ų27.93%0.02816%0.156CC..  trans-102.2174.2170.682.60000111.1T25 K65 S101 H102T25-S99 WeakPolarHBondContact O-CA 3.32Å; T25-S99 WeakPolarHBondContact O-CB 3.44Å; K65-S99 WeakPolarHBondContact CE-O 3.36Å; K65-S99 PolarHBondContact NZ-O 3.11Å; S99-S101 PolarHBondContact O-N 2.9Å; S99-S101 VanDerWaalsContact O-N 3.15Å; S99-S101 PolarHBondContact OG-N 3Å; S99-S101 PolarHBondContact OG-OG 3.34Å; S99-H102 PolarHBondContact N-O 3.27Å; S99-H102 PolarHBondContact OG-N 3.02Å; S99-H102 VanDerWaalsContact OG-N 3.1Å
100P92.6Very high93.2Very high109 Ų10928.2 Ų28.271%0.70816%0.159SC*.SBendtrans-56.8-28.3175.5-27.836.9000114K65K65-P100 WeakPolarHBondContact CD-O 3.37Å
101S91.5Very high92.9Very high67 Ų6729.8 Ų29.847%0.46917%0.169SC..SBendtrans-111.7-22.2-17357.40000114.6K65 S99K65-S101 WeakPolarHBondContact CB-O 3.4Å; K65-S101 PolarHBondContact N-O 3.18Å; S99-S101 PolarHBondContact O-N 2.9Å; S99-S101 VanDerWaalsContact O-N 3.15Å; S99-S101 PolarHBondContact OG-N 3Å; S99-S101 PolarHBondContact OG-OG 3.34Å
102H92.7Very high92.6Very high54 Ų5429.8 Ų29.825%0.2517%0.17CC..EExtended strand (participates in β ladder)trans-138.7154.6-171.3-68.379.5000112.7I63 S99 Y104I63-H102 CarbonylContact O-C 3.58Å; I63-H102 WeakPolarHBondContact O-CA 3.43Å; S99-H102 PolarHBondContact N-O 3.27Å; S99-H102 PolarHBondContact OG-N 3.02Å; S99-H102 VanDerWaalsContact OG-N 3.1Å; H102-Y104 HydrophobicContact CB-CD2 4.28Å; H102-Y104 HydrophobicContact CB-CE1 3.99Å; H102-Y104 HydrophobicContact CB-CE2 3.56Å; H102-Y104 VanDerWaalsContact CB-CZ 3.4Å; H102-Y104 WeakPolarHBondContact CB-OH 3.45Å
103L92.1Very high92.3Very high3 Ų329.9 Ų29.92%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-105.5136.4160.9178.773.6000107.8K22 I63 L68 V75 I79 V96 E98 L105K22-L103 HydrophobicContact CD-CD1 4.16Å; I63-L103 HydrophobicContact CB-CB 4.43Å; I63-L103 PolarHBondContact N-O 2.87Å; I63-L103 PolarHBondContact O-N 2.89Å; L68-L103 HydrophobicContact CD1-CB 4.18Å; L68-L103 HydrophobicContact CD1-CD2 4.06Å; V75-L103 HydrophobicContact CG1-CD2 3.62Å; I79-L103 HydrophobicContact CD1-CD1 4.04Å; I79-L103 HydrophobicContact CD1-CD2 3.9Å; V96-L103 HydrophobicContact CG1-CD1 3.77Å; E98-L103 HydrophobicContact CB-CD1 4.42Å; L103-L105 HydrophobicContact CD2-CD2 4.18Å; L103-L105 HydrophobicContact CG-CD2 4.21Å
104Y93.5Very high92Very high22 Ų2230.9 Ų30.99%0.08618%0.178CC..EExtended strand (participates in β ladder)trans-122.2126.8179.3-54.1-87.9000109.7I28 L60 K61 C62 V96 H97 H102I28-Y104 HydrophobicContact CB-CD1 4.33Å; I28-Y104 HydrophobicContact CB-CD2 4.13Å; I28-Y104 HydrophobicContact CB-CE1 4Å; I28-Y104 HydrophobicContact CB-CE2 3.76Å; I28-Y104 HydrophobicContact CB-CG 4.39Å; I28-Y104 HydrophobicContact CD1-CD1 4.4Å; I28-Y104 HydrophobicContact CD1-CD2 3.88Å; I28-Y104 HydrophobicContact CD1-CE2 4.38Å; I28-Y104 HydrophobicContact CD1-CG 3.88Å; I28-Y104 HydrophobicContact CG1-CD1 3.88Å; I28-Y104 HydrophobicContact CG1-CD2 4Å; I28-Y104 HydrophobicContact CG1-CE1 4.04Å; I28-Y104 HydrophobicContact CG1-CE2 4.14Å; I28-Y104 HydrophobicContact CG1-CG 3.85Å; I28-Y104 HydrophobicContact CG2-CD1 4.4Å; I28-Y104 HydrophobicContact CG2-CE1 3.71Å; I28-Y104 HydrophobicContact CG2-CE2 4.2Å; L60-Y104 HydrophobicContact CD2-CD1 4.27Å; L60-Y104 HydrophobicContact CG-CD1 4.43Å; K61-Y104 WeakPolarHBondContact O-CA 3.38Å; C62-Y104 HydrophobicContact CB-CD1 4.09Å; C62-Y104 HydrophobicContact CB-CE1 4.11Å; C62-Y104 VanDerWaalsContact SG-CD1 3.6Å; V96-Y104 WeakPolarHBondContact CA-O 3.43Å; H97-Y104 HydrophobicContact CB-CD2 4.27Å; H97-Y104 PolarHBondContact N-O 3.41Å; H97-Y104 PolarHBondContact O-N 3.3Å; H102-Y104 HydrophobicContact CB-CD2 4.28Å; H102-Y104 HydrophobicContact CB-CE1 3.99Å; H102-Y104 HydrophobicContact CB-CE2 3.56Å; H102-Y104 VanDerWaalsContact CB-CZ 3.4Å; H102-Y104 WeakPolarHBondContact CB-OH 3.45Å
105L92.9Very high91.7Very high4 Ų427.4 Ų27.42%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-108.8112174.4-50.1-179.4000107.6K61 I63 I79 L93 V96 L103 M107 L177K61-L105 HydrophobicContact CB-CB 4.24Å; K61-L105 PolarHBondContact N-O 3.46Å; K61-L105 PolarHBondContact O-N 3.36Å; I63-L105 HydrophobicContact CD1-CD1 4.14Å; I79-L105 HydrophobicContact CG1-CD2 4.35Å; L93-L105 HydrophobicContact CD1-CB 3.77Å; L93-L105 HydrophobicContact CD1-CD2 4.36Å; V96-L105 HydrophobicContact CB-CD2 4.48Å; V96-L105 HydrophobicContact CG1-CD2 3.9Å; V96-L105 HydrophobicContact CG2-CD2 3.92Å; L103-L105 HydrophobicContact CD2-CD2 4.18Å; L103-L105 HydrophobicContact CG-CD2 4.21Å; L105-M107 HydrophobicContact CB-CG 4.3Å; L105-L177 HydrophobicContact CD1-CD1 4.16Å
106A94.4Very high91.3Very high0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-84.5112.2173.400000108.1Y32 V58 L60 E94 D95Y32-A106 WeakPolarHBondContact OH-CB 3.36Å; V58-A106 HydrophobicContact CB-CB 4.47Å; V58-A106 HydrophobicContact CG2-CB 4.3Å; L60-A106 HydrophobicContact CD1-CB 4.04Å; E94-A106 PolarHBondContact N-O 2.83Å; D95-A106 HydrophobicContact CB-CB 4Å; D95-A106 PolarHBondContact N-O 3.15Å; D95-A106 PolarHBondContact O-N 2.92Å
107M93.7Very high90.8Very high22 Ų2229.5 Ų29.511%0.10817%0.173CC..EExtended strand (participates in β ladder)trans-113.4153.4-173.9-57.5178.265.500110.4V58 A59 K61 V91 A92 L93 L105 L109V58-M107 WeakPolarHBondContact CA-O 3.45Å; V58-M107 WeakPolarHBondContact CB-O 3.34Å; A59-M107 HydrophobicContact CB-CB 4.43Å; A59-M107 PolarHBondContact N-O 3.42Å; A59-M107 WeakPolarHBondContact O-CB 3.42Å; A59-M107 PolarHBondContact O-N 2.91Å; K61-M107 HydrophobicContact CB-SD 4.29Å; K61-M107 HydrophobicContact CD-SD 4.4Å; V91-M107 HydrophobicContact CB-CE 4.4Å; V91-M107 HydrophobicContact CG1-CB 4.04Å; V91-M107 HydrophobicContact CG1-CE 3.81Å; A92-M107 CarbonylContact O-C 3.56Å; A92-M107 VanDerWaalsContact O-CA 3.31Å; A92-M107 WeakPolarHBondContact O-CA 3.33Å; L93-M107 HydrophobicContact CD1-CG 4.25Å; L105-M107 HydrophobicContact CB-CG 4.3Å; M107-L109 PolarHBondContact O-N 3.39Å
108E93.4Very high90.4Very high57 Ų5731.1 Ų31.127%0.26618%0.178SC..EExtended strand (participates in β ladder)trans-51.1127.3171.6174.9-175.2-170.600109.8V91 A92 E94 V110V91-E108 HydrophobicContact CG1-CB 4.05Å; V91-E108 WeakPolarHBondContact CG1-O 3.42Å; A92-E108 HydrophobicContact CB-CB 4.15Å; A92-E108 PolarHBondContact N-OE2 3.4Å; A92-E108 PolarHBondContact O-N 2.9Å; E94-E108 WeakPolarHBondContact OE1-CA 3.41Å; E108-V110 PolarHBondContact O-N 2.98Å
109L93Very high90.1Very high34 Ų3429.7 Ų29.718%0.17817%0.172CC..PPolyproline II helixtrans-79.5117.6177.3-179.668.6000110.2L38 L48 L57 A59 M107 T111 F323L38-L109 HydrophobicContact CD1-CD1 3.84Å; L48-L109 HydrophobicContact CD1-CD1 3.84Å; L48-L109 HydrophobicContact CD1-CD2 3.47Å; L48-L109 VanDerWaalsContact CD1-CD2 3.47Å; L48-L109 HydrophobicContact CD1-CG 4.29Å; L57-L109 HydrophobicContact CB-CD2 3.74Å; L57-L109 HydrophobicContact CD1-CD2 4.31Å; A59-L109 HydrophobicContact CB-CD1 4.2Å; M107-L109 PolarHBondContact O-N 3.39Å; L109-T111 HydrophobicContact CD2-CG2 3.98Å; L109-T111 HydrophobicContact CG-CG2 3.85Å; L109-F323 HydrophobicContact CD2-CE2 4.37Å
110V91.3Very high89.6Confident26 Ų2632 Ų3216%0.15818%0.183CC..PPolyproline II helixtrans-101.4138170.3-64.30000110.3V91 E108 L160 M171V91-V110 HydrophobicContact CG2-CG1 3.99Å; E108-V110 PolarHBondContact O-N 2.98Å; V110-L160 HydrophobicContact CG2-CB 3.75Å; V110-L160 HydrophobicContact CG2-CD1 3.49Å; V110-L160 VanDerWaalsContact CG2-CD1 3.49Å; V110-L160 HydrophobicContact CG2-CG 4.27Å; V110-M171 HydrophobicContact CG1-CB 4.23Å; V110-M171 HydrophobicContact CG1-CG 3.98Å
111T88.6Confident89.3Confident37 Ų3733.4 Ų33.423%0.22718%0.18CC..  trans-130.32.7-167.659.30000114.1L109 G113 A162 F323L109-T111 HydrophobicContact CD2-CG2 3.98Å; L109-T111 HydrophobicContact CG-CG2 3.85Å; T111-G113 VanDerWaalsContact C-N 3.27Å; T111-G113 PolarHBondContact O-N 3.43Å; T111-A162 PolarHBondContact N-O 3.44Å; T111-A162 PolarHBondContact OG1-O 2.97Å; T111-F323 HydrophobicContact CG2-CD2 4.37Å; T111-F323 HydrophobicContact CG2-CE1 4.03Å; T111-F323 HydrophobicContact CG2-CE2 3.85Å; T111-F323 HydrophobicContact CG2-CZ 3.66Å
112G86.8Confident88.9Confident5 Ų533.5 Ų33.55%0.05217%0.17CC..SBendtrans-79.5-3.8-179.200000115R118 Y161 T163G112-R118 WeakPolarHBondContact O-CD 3.35Å; G112-R118 WeakPolarHBondContact O-CG 3.42Å; G112-Y161 WeakPolarHBondContact CA-O 3.31Å; G112-Y161 PolarHBondContact N-O 3.23Å; G112-T163 WeakPolarHBondContact CA-O 3.37Å
113G86.6Confident88.6Confident36 Ų3634.6 Ų34.637%0.37120%0.196SC..  trans81.2-179.1179.500000113.7T111 L160 Y161T111-G113 VanDerWaalsContact C-N 3.27Å; T111-G113 PolarHBondContact O-N 3.43Å; G113-L160 WeakPolarHBondContact O-CA 3.37Å; G113-Y161 PolarHBondContact O-N 3.11Å
114E85.9Confident88.6Confident42 Ų4237.3 Ų37.320%0.19622%0.215CC..BIsolated β-bridgetrans-78.2156.2-175.2-64.2-178.9-161.900112.3F116 D117 R118 L160 H313E114-F116 PolarHBondContact O-N 2.82Å; E114-D117 PolarHBondContact O-N 3.41Å; E114-R118 WeakPolarHBondContact O-CG 3.11Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 VanDerWaalsContact O-N 3.15Å; E114-L160 HydrophobicContact CB-CD2 4.39Å; E114-L160 HydrophobicContact CG-CD2 3.78Å; E114-H313 IonicContact OE2-CE1 3.3Å
115L87.2Confident88.7Confident0 Ų036.3 Ų36.30%021%0.211CC..Hα-helixtrans-49.7-55.1-176.7175.256.6000114I119 L133 P156 L159 Y161 I170 I218 L222L115-I119 HydrophobicContact CD1-CD1 4.12Å; L115-I119 HydrophobicContact CG-CD1 4.45Å; L115-I119 WeakPolarHBondContact O-CG1 3.48Å; L115-I119 PolarHBondContact O-N 2.8Å; L115-L133 HydrophobicContact CD1-CD1 3.26Å; L115-L133 HydrophobicContact CD1-CD2 3.89Å; L115-L133 HydrophobicContact CD1-CG 4.19Å; L115-L133 HydrophobicContact CD2-CD2 4.48Å; L115-P156 HydrophobicContact CD2-CB 4.49Å; L115-L159 HydrophobicContact CB-CB 4.25Å; L115-L159 HydrophobicContact CD2-CB 4.22Å; L115-L159 HydrophobicContact CD2-CD1 3.78Å; L115-L159 PolarHBondContact N-O 2.87Å; L115-L159 VanDerWaalsContact N-O 3.16Å; L115-Y161 HydrophobicContact CD1-CE2 4.21Å; L115-I170 HydrophobicContact CD1-CD1 4.28Å; L115-I218 HydrophobicContact CD2-CG2 4.18Å; L115-L222 HydrophobicContact CD1-CD2 4.08Å; L115-L222 HydrophobicContact CD2-CD2 4.05Å; L115-L222 HydrophobicContact CG-CD2 4.14Å
116F84.6Confident88.9Confident5 Ų536.7 Ų36.72%0.02221%0.214CC..Hα-helixtrans-75.7-39-174.1-66.3-41.1000112.8E114 R118 I119 M120 P156 I221 L222 I305 F309E114-F116 PolarHBondContact O-N 2.82Å; F116-R118 PolarHBondContact O-N 2.8Å; F116-I119 HydrophobicContact CD1-CD1 4.2Å; F116-I119 PolarHBondContact O-N 2.81Å; F116-M120 VanDerWaalsContact O-CG 3.27Å; F116-M120 WeakPolarHBondContact O-CG 3.5Å; F116-M120 PolarHBondContact O-N 3.09Å; F116-P156 HydrophobicContact CD2-CB 3.82Å; F116-P156 HydrophobicContact CD2-CG 4.18Å; F116-P156 HydrophobicContact CE2-CB 3.46Å; F116-P156 VanDerWaalsContact CE2-CB 3.46Å; F116-P156 HydrophobicContact CE2-CG 3.31Å; F116-P156 HydrophobicContact CZ-CB 4.01Å; F116-P156 HydrophobicContact CZ-CG 3.64Å; F116-I221 HydrophobicContact CE1-CB 4.46Å; F116-I221 HydrophobicContact CE1-CG2 3.74Å; F116-I221 HydrophobicContact CE2-CG2 3.95Å; F116-I221 HydrophobicContact CZ-CB 3.92Å; F116-I221 HydrophobicContact CZ-CG2 3.24Å; F116-L222 HydrophobicContact CD1-CD2 4.44Å; F116-L222 HydrophobicContact CE1-CD2 3.91Å; F116-L222 HydrophobicContact CE1-CG 4.41Å; F116-I305 HydrophobicContact CB-CG2 4.17Å; F116-I305 HydrophobicContact CD1-CD1 3.81Å; F116-I305 HydrophobicContact CE1-CD1 4.38Å; F116-I305 HydrophobicContact CG-CD1 4.32Å; F116-F309 HydrophobicContact CD2-CD1 4.27Å; F116-F309 HydrophobicContact CD2-CE1 4.47Å; F116-F309 HydrophobicContact CE2-CD1 4.17Å; F116-F309 AromaticContact CE2-CE1 3.91Å; F116-F309 HydrophobicContact CE2-CE1 3.91Å; F116-F309 HydrophobicContact CE2-CZ 4.33Å
117D84.3Confident89Confident58 Ų5836.8 Ų36.831%0.3121%0.214SC..Hα-helixtrans-54.3-40.8174.5-70.3-17.3000110.6E114 M120 E121 H313E114-D117 PolarHBondContact O-N 3.41Å; D117-M120 WeakPolarHBondContact O-CB 3.25Å; D117-M120 PolarHBondContact O-N 3.22Å; D117-E121 WeakPolarHBondContact O-CG 3.32Å; D117-E121 PolarHBondContact O-N 3.31Å; D117-H313 IonicContact OD1-CE1 3.81Å; D117-H313 IonicContact OD1-CG 3.24Å; D117-H313 IonicContact OD1-ND1 3.88Å; D117-H313 PolarHBondContact OD1-ND1 2.87Å
118R86Confident89.2Confident39 Ų3940 Ų4015%0.14723%0.227CC..Hα-helixtrans-69.6-35.5178-72.8-68.3-69.4-179.4-7.4114G112 E114 F116 M120 E121 R122 Y161 P164 F165G112-R118 WeakPolarHBondContact O-CD 3.35Å; G112-R118 WeakPolarHBondContact O-CG 3.42Å; E114-R118 WeakPolarHBondContact O-CG 3.11Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 VanDerWaalsContact O-N 3.15Å; F116-R118 PolarHBondContact O-N 2.8Å; R118-M120 VanDerWaalsContact C-N 3.31Å; R118-E121 IonicContact NH1-OE2 3.74Å; R118-E121 PolarHBondContact NH1-OE2 3.5Å; R118-E121 PolarHBondContact O-N 2.94Å; R118-R122 WeakPolarHBondContact O-CG 3.47Å; R118-Y161 HydrophobicContact CB-CD2 3.64Å; R118-Y161 HydrophobicContact CB-CE2 3.41Å; R118-Y161 VanDerWaalsContact CB-CE2 3.41Å; R118-Y161 HydrophobicContact CG-CD2 3.48Å; R118-Y161 VanDerWaalsContact CG-CD2 3.48Å; R118-Y161 HydrophobicContact CG-CE2 3.85Å; R118-Y161 HydrophobicContact CG-CG 4.17Å; R118-P164 VanDerWaalsContact CZ-O 3.32Å; R118-P164 PolarHBondContact NH1-O 3.27Å; R118-P164 PolarHBondContact NH2-O 2.7Å; R118-F165 PolarHBondContact NH2-O 3.26Å
119I86.2Confident89.3Confident0 Ų039.3 Ų39.30%023%0.226CC..Hα-helixtrans-64.9-40.3173.4-69.5167000110.2L115 F116 E121 R122 Y125 L222 L298 I305L115-I119 HydrophobicContact CD1-CD1 4.12Å; L115-I119 HydrophobicContact CG-CD1 4.45Å; L115-I119 WeakPolarHBondContact O-CG1 3.48Å; L115-I119 PolarHBondContact O-N 2.8Å; F116-I119 HydrophobicContact CD1-CD1 4.2Å; F116-I119 PolarHBondContact O-N 2.81Å; I119-E121 PolarHBondContact O-N 3.38Å; I119-R122 PolarHBondContact O-N 2.83Å; I119-Y125 HydrophobicContact CD1-CE2 3.92Å; I119-Y125 HydrophobicContact CG1-CD2 4.21Å; I119-Y125 HydrophobicContact CG1-CE2 3.89Å; I119-Y125 HydrophobicContact CG2-CD1 4.17Å; I119-Y125 HydrophobicContact CG2-CD2 4.13Å; I119-Y125 HydrophobicContact CG2-CE1 4.39Å; I119-Y125 HydrophobicContact CG2-CE2 4.34Å; I119-Y125 HydrophobicContact CG2-CG 4.03Å; I119-L222 HydrophobicContact CD1-CD2 3.33Å; I119-L298 HydrophobicContact CG2-CD1 4.09Å; I119-L298 WeakPolarHBondContact O-CD1 3.32Å; I119-I305 HydrophobicContact CG2-CD1 4.49Å
120M84.8Confident89.5Confident53 Ų5337.7 Ų37.726%0.26122%0.217SC..Hα-helixtrans-65.6-23.6179-65.2-58.4-55.600113.9F116 D117 R118 S302 I305 Q306F116-M120 VanDerWaalsContact O-CG 3.27Å; F116-M120 WeakPolarHBondContact O-CG 3.5Å; F116-M120 PolarHBondContact O-N 3.09Å; D117-M120 WeakPolarHBondContact O-CB 3.25Å; D117-M120 PolarHBondContact O-N 3.22Å; R118-M120 VanDerWaalsContact C-N 3.31Å; M120-S302 VanDerWaalsContact SD-CA 3.52Å; M120-S302 VanDerWaalsContact SD-CB 3.5Å; M120-I305 HydrophobicContact CG-CG2 4.2Å; M120-I305 HydrophobicContact SD-CB 4Å; M120-I305 HydrophobicContact SD-CG2 3.9Å; M120-Q306 HydrophobicContact CE-CG 3.45Å; M120-Q306 VanDerWaalsContact CE-CG 3.45Å; M120-Q306 HydrophobicContact SD-CG 4.46Å
121E85.9Confident89.8Confident137 Ų13736.9 Ų36.964%0.6421%0.213SC*.THydrogen-bonded Turntrans-86.6-9.6178.3-72176.4172.800113.9D117 R118 I119D117-E121 WeakPolarHBondContact O-CG 3.32Å; D117-E121 PolarHBondContact O-N 3.31Å; R118-E121 IonicContact NH1-OE2 3.74Å; R118-E121 PolarHBondContact NH1-OE2 3.5Å; R118-E121 PolarHBondContact O-N 2.94Å; I119-E121 PolarHBondContact O-N 3.38Å
122R83.6Confident90.2Very high70 Ų7041.1 Ų41.126%0.26423%0.23SC..  trans-76.7156-177.2-68-178.572.7174.5-2.5112.1R118 I119 S124 D129 L298R118-R122 WeakPolarHBondContact O-CG 3.47Å; I119-R122 PolarHBondContact O-N 2.83Å; R122-S124 PolarHBondContact NE-O 3Å; R122-D129 IonicContact CZ-OD1 2.75Å; R122-D129 IonicContact CZ-OD2 2.98Å; R122-D129 IonicContact NH1-OD1 3.96Å; R122-D129 PolarHBondContact NH1-OD1 2.82Å; R122-D129 IonicContact NH1-OD2 3.45Å; R122-D129 VanDerWaalsContact NH2-CG 3.31Å; R122-D129 IonicContact NH2-OD1 3.29Å; R122-D129 PolarHBondContact NH2-OD1 2.86Å; R122-D129 IonicContact NH2-OD2 3.67Å; R122-D129 PolarHBondContact NH2-OD2 3.1Å; R122-L298 VanDerWaalsContact O-CD2 3.22Å; R122-L298 WeakPolarHBondContact O-CD2 3.42Å
123G86.7Confident90.7Very high77 Ų7741.3 Ų41.379%0.79423%0.229SC*.SBendtrans-81.1-25.2170.200000113.9
124S92.3Very high91.3Very high60 Ų6039.7 Ų39.742%0.4221%0.213SC..  trans-152.5151.5177.661.70000110R122R122-S124 PolarHBondContact NE-O 3Å
125Y94.8Very high91.8Very high1 Ų138.5 Ų38.50%0.00421%0.211CC..  trans-151.1127.1177.8177.5-101000110.4I119 D129 A130 L222 D296 I297 L298I119-Y125 HydrophobicContact CD1-CE2 3.92Å; I119-Y125 HydrophobicContact CG1-CD2 4.21Å; I119-Y125 HydrophobicContact CG1-CE2 3.89Å; I119-Y125 HydrophobicContact CG2-CD1 4.17Å; I119-Y125 HydrophobicContact CG2-CD2 4.13Å; I119-Y125 HydrophobicContact CG2-CE1 4.39Å; I119-Y125 HydrophobicContact CG2-CE2 4.34Å; I119-Y125 HydrophobicContact CG2-CG 4.03Å; Y125-D129 HydrophobicContact CD2-CB 3.76Å; Y125-D129 HydrophobicContact CE2-CB 3.76Å; Y125-A130 VanDerWaalsContact OH-CB 3.25Å; Y125-A130 WeakPolarHBondContact OH-CB 3.46Å; Y125-L222 WeakPolarHBondContact CE1-O 3.37Å; Y125-L222 WeakPolarHBondContact OH-CD2 3.29Å; Y125-L222 PolarHBondContact OH-O 3.43Å; Y125-D296 PolarHBondContact N-OD1 2.88Å; Y125-D296 VanDerWaalsContact O-OD1 3.05Å; Y125-I297 HydrophobicContact CD1-CD1 4.36Å; Y125-I297 HydrophobicContact CD1-CG1 4.01Å; Y125-I297 HydrophobicContact CE1-CD1 4.27Å; Y125-I297 HydrophobicContact CE1-CG1 4.41Å; Y125-I297 VanDerWaalsContact O-CG1 3.28Å; Y125-I297 WeakPolarHBondContact O-CG1 3.19Å; Y125-I297 PolarHBondContact O-N 2.73Å; Y125-L298 PolarHBondContact O-N 3.38Å
126T96.9Very high92.4Very high11 Ų1140.2 Ų40.27%0.06722%0.219CC..BIsolated β-bridgetrans-119.4169.2-171.466.20000112.2K128 D129 A130 R295T126-K128 PolarHBondContact O-N 3.06Å; T126-K128 PolarHBondContact OG1-N 2.91Å; T126-D129 WeakPolarHBondContact CB-OD2 3.49Å; T126-D129 PolarHBondContact N-OD2 3.26Å; T126-D129 WeakPolarHBondContact O-CB 3.49Å; T126-D129 PolarHBondContact O-N 3.45Å; T126-D129 PolarHBondContact OG1-N 3.28Å; T126-D129 VanDerWaalsContact OG1-N 3.13Å; T126-D129 PolarHBondContact OG1-OD2 3.18Å; T126-A130 PolarHBondContact O-N 2.89Å; T126-R295 WeakPolarHBondContact CA-O 3.4Å
127E97.4Very high93Very high2 Ų240.1 Ų40.11%0.00922%0.219CC..Hα-helixtrans-62.6-32.9170.7-168.6-174.2136.400111.9A130 S131 L223 S257 A260 W286 A292 F293E127-A130 WeakPolarHBondContact O-CB 3.43Å; E127-A130 PolarHBondContact O-N 3.25Å; E127-S131 WeakPolarHBondContact O-CB 3.41Å; E127-S131 PolarHBondContact O-N 2.78Å; E127-L223 HydrophobicContact CB-CD2 4.35Å; E127-L223 HydrophobicContact CG-CD2 3.82Å; E127-S257 VanDerWaalsContact OE1-CB 3.25Å; E127-S257 WeakPolarHBondContact OE1-CB 3.49Å; E127-S257 PolarHBondContact OE1-OG 3.33Å; E127-S257 WeakPolarHBondContact OE2-CB 3.4Å; E127-S257 PolarHBondContact OE2-N 3.27Å; E127-A260 HydrophobicContact CG-CB 4.44Å; E127-A260 WeakPolarHBondContact OE1-CB 3.36Å; E127-W286 HydrophobicContact CG-CZ2 4Å; E127-W286 VanDerWaalsContact OE1-CD1 3.24Å; E127-W286 PolarHBondContact OE1-NE1 3.36Å; E127-A292 HydrophobicContact CG-CB 4.25Å; E127-A292 WeakPolarHBondContact OE1-CA 3.5Å; E127-F293 HydrophobicContact CB-CB 4.31Å; E127-F293 WeakPolarHBondContact CB-O 3.37Å; E127-F293 PolarHBondContact N-O 3.48Å
128K97.1Very high93.7Very high89 Ų8937.3 Ų37.339%0.38720%0.204SC..Hα-helixtrans-62.5-40.6172.4-75.3-177.2-178.4175.40112.7T126 A130 S131 H132 A292 F293 D294T126-K128 PolarHBondContact O-N 3.06Å; T126-K128 PolarHBondContact OG1-N 2.91Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-S131 PolarHBondContact O-N 3.48Å; K128-H132 WeakPolarHBondContact O-CB 3.35Å; K128-H132 PolarHBondContact O-N 2.79Å; K128-A292 WeakPolarHBondContact CE-O 3.46Å; K128-A292 HydrophobicContact CG-CB 3.94Å; K128-A292 WeakPolarHBondContact CG-O 3.48Å; K128-F293 PolarHBondContact N-O 3.44Å; K128-D294 HydrophobicContact CD-CB 4.01Å; K128-D294 IonicContact NZ-OD2 3.65Å; K128-D294 PolarHBondContact NZ-OD2 3.24Å
129D95.9Very high94.3Very high43 Ų4336.4 Ų36.423%0.2321%0.207CC..Hα-helixtrans-60.7-46.4175-68.1-69000111R122 Y125 T126 H132 L133R122-D129 IonicContact CZ-OD1 2.75Å; R122-D129 IonicContact CZ-OD2 2.98Å; R122-D129 IonicContact NH1-OD1 3.96Å; R122-D129 PolarHBondContact NH1-OD1 2.82Å; R122-D129 IonicContact NH1-OD2 3.45Å; R122-D129 VanDerWaalsContact NH2-CG 3.31Å; R122-D129 IonicContact NH2-OD1 3.29Å; R122-D129 PolarHBondContact NH2-OD1 2.86Å; R122-D129 IonicContact NH2-OD2 3.67Å; R122-D129 PolarHBondContact NH2-OD2 3.1Å; Y125-D129 HydrophobicContact CD2-CB 3.76Å; Y125-D129 HydrophobicContact CE2-CB 3.76Å; T126-D129 WeakPolarHBondContact CB-OD2 3.49Å; T126-D129 PolarHBondContact N-OD2 3.26Å; T126-D129 WeakPolarHBondContact O-CB 3.49Å; T126-D129 PolarHBondContact O-N 3.45Å; T126-D129 PolarHBondContact OG1-N 3.28Å; T126-D129 VanDerWaalsContact OG1-N 3.13Å; T126-D129 PolarHBondContact OG1-OD2 3.18Å; D129-H132 PolarHBondContact O-N 2.84Å; D129-L133 WeakPolarHBondContact O-CB 3.42Å; D129-L133 PolarHBondContact O-N 3.2Å
130A97.1Very high94.8Very high0 Ų036.4 Ų36.40%021%0.207CC..Hα-helixtrans-60.1-48.2176.600000111.4Y125 T126 E127 K128 H132 L133 V134 L222 L223 W286Y125-A130 VanDerWaalsContact OH-CB 3.25Å; Y125-A130 WeakPolarHBondContact OH-CB 3.46Å; T126-A130 PolarHBondContact O-N 2.89Å; E127-A130 WeakPolarHBondContact O-CB 3.43Å; E127-A130 PolarHBondContact O-N 3.25Å; K128-A130 VanDerWaalsContact C-N 3.34Å; A130-H132 PolarHBondContact O-N 3.01Å; A130-L133 PolarHBondContact O-N 2.96Å; A130-V134 WeakPolarHBondContact O-CB 3.35Å; A130-V134 VanDerWaalsContact O-CG2 3.3Å; A130-V134 WeakPolarHBondContact O-CG2 3.39Å; A130-V134 PolarHBondContact O-N 3.25Å; A130-L222 HydrophobicContact CB-CB 4.39Å; A130-L223 HydrophobicContact CB-CD2 3.68Å; A130-W286 HydrophobicContact CB-CH2 4.27Å; A130-W286 HydrophobicContact CB-CZ2 4.28Å
131S98.4Very high95.4Very high10 Ų1033.9 Ų33.97%0.0720%0.195CC..Hα-helixtrans-58.5-46.8177.9170.20000111.9E127 K128 L133 V134 G135 W286E127-S131 WeakPolarHBondContact O-CB 3.41Å; E127-S131 PolarHBondContact O-N 2.78Å; K128-S131 PolarHBondContact O-N 3.48Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 2.69Å; S131-V134 PolarHBondContact O-N 2.85Å; S131-G135 PolarHBondContact O-N 3.34Å; S131-W286 VanDerWaalsContact CA-CH2 3.48Å; S131-W286 WeakPolarHBondContact CB-O 3.32Å; S131-W286 PolarHBondContact OG-O 3.23Å
132H96.6Very high96Very high126 Ų12628.3 Ų28.358%0.58317%0.171SC*.Hα-helixtrans-60.7-43.1178.5-17467.8000112K128 D129 A130 G135 Q136K128-H132 WeakPolarHBondContact O-CB 3.35Å; K128-H132 PolarHBondContact O-N 2.79Å; D129-H132 PolarHBondContact O-N 2.84Å; A130-H132 PolarHBondContact O-N 3.01Å; H132-G135 PolarHBondContact O-N 3.31Å; H132-Q136 PolarHBondContact CD2-NE2 3.32Å; H132-Q136 PolarHBondContact NE2-NE2 2.89Å; H132-Q136 PolarHBondContact O-N 3.05Å; H132-Q136 VanDerWaalsContact O-N 3.12Å
133L96.8Very high96.6Very high8 Ų827.9 Ų27.94%0.04217%0.169CC..Hα-helixtrans-63.8-50177.1-169.5150.8000111.6L115 D129 A130 S131 G135 Q136 V137 Y161 I170 L222L115-L133 HydrophobicContact CD1-CD1 3.26Å; L115-L133 HydrophobicContact CD1-CD2 3.89Å; L115-L133 HydrophobicContact CD1-CG 4.19Å; L115-L133 HydrophobicContact CD2-CD2 4.48Å; D129-L133 WeakPolarHBondContact O-CB 3.42Å; D129-L133 PolarHBondContact O-N 3.2Å; A130-L133 PolarHBondContact O-N 2.96Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 2.69Å; L133-G135 VanDerWaalsContact C-N 3.26Å; L133-G135 PolarHBondContact O-N 3.32Å; L133-Q136 WeakPolarHBondContact O-CB 3.23Å; L133-Q136 PolarHBondContact O-N 3.38Å; L133-Q136 VanDerWaalsContact O-N 3.14Å; L133-V137 HydrophobicContact CD2-CG2 4.09Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 3.23Å; L133-V137 VanDerWaalsContact O-N 3.09Å; L133-Y161 WeakPolarHBondContact CD1-OH 3.32Å; L133-I170 HydrophobicContact CG-CB 4.45Å; L133-I170 HydrophobicContact CG-CG1 4.5Å; L133-I170 HydrophobicContact CG-CG2 4.42Å; L133-L222 HydrophobicContact CD2-CD1 3.93Å
134V98.3Very high96.9Very high3 Ų324.2 Ų24.22%0.01813%0.132CC..Hα-helixtrans-59.9-38.7177.9172.40000110.7A130 S131 Q136 V137 L138 S219 L222 F263 W286 I287A130-V134 WeakPolarHBondContact O-CB 3.35Å; A130-V134 VanDerWaalsContact O-CG2 3.3Å; A130-V134 WeakPolarHBondContact O-CG2 3.39Å; A130-V134 PolarHBondContact O-N 3.25Å; S131-V134 PolarHBondContact O-N 2.85Å; V134-Q136 PolarHBondContact O-N 3.03Å; V134-V137 PolarHBondContact O-N 2.84Å; V134-L138 HydrophobicContact CG1-CD1 3.92Å; V134-L138 HydrophobicContact CG1-CG 4.2Å; V134-L138 VanDerWaalsContact O-CB 3.31Å; V134-L138 WeakPolarHBondContact O-CB 3.49Å; V134-L138 WeakPolarHBondContact O-CG 3.17Å; V134-L138 PolarHBondContact O-N 3.14Å; V134-S219 WeakPolarHBondContact CG2-OG 3.29Å; V134-L222 HydrophobicContact CG2-CD1 3.79Å; V134-F263 HydrophobicContact CG1-CE1 3.91Å; V134-F263 HydrophobicContact CG1-CZ 3.77Å; V134-W286 HydrophobicContact CB-CH2 4.48Å; V134-W286 HydrophobicContact CB-CZ3 4.07Å; V134-W286 HydrophobicContact CG1-CZ3 4.15Å; V134-W286 HydrophobicContact CG2-CH2 4.25Å; V134-W286 HydrophobicContact CG2-CZ3 4.22Å; V134-I287 HydrophobicContact CB-CD1 4.14Å; V134-I287 HydrophobicContact CG1-CD1 3.88Å
135G98.3Very high97Very high16 Ų1622 Ų2217%0.16512%0.115CC..Hα-helixtrans-59.4-43.6174.100000113.3S131 H132 L133 L138 G139S131-G135 PolarHBondContact O-N 3.34Å; H132-G135 PolarHBondContact O-N 3.31Å; L133-G135 VanDerWaalsContact C-N 3.26Å; L133-G135 PolarHBondContact O-N 3.32Å; G135-L138 PolarHBondContact O-N 2.92Å; G135-G139 PolarHBondContact O-N 2.87Å
136Q98.1Very high96.9Very high37 Ų3725.9 Ų25.917%0.17314%0.142CC..Hα-helixtrans-62.8-44.6175.3-70.8-176.850.300112N89 H132 L133 V134 G139 A140 I170N89-Q136 PolarHBondContact ND2-OE1 3.05Å; H132-Q136 PolarHBondContact CD2-NE2 3.32Å; H132-Q136 PolarHBondContact NE2-NE2 2.89Å; H132-Q136 PolarHBondContact O-N 3.05Å; H132-Q136 VanDerWaalsContact O-N 3.12Å; L133-Q136 WeakPolarHBondContact O-CB 3.23Å; L133-Q136 PolarHBondContact O-N 3.38Å; L133-Q136 VanDerWaalsContact O-N 3.14Å; V134-Q136 PolarHBondContact O-N 3.03Å; Q136-G139 PolarHBondContact O-N 3.23Å; Q136-A140 PolarHBondContact O-N 2.9Å; Q136-A140 VanDerWaalsContact O-N 3.09Å; Q136-I170 HydrophobicContact CB-CG2 3.58Å; Q136-I170 HydrophobicContact CG-CG2 4.46Å
137V98.3Very high96.5Very high2 Ų229.2 Ų29.21%0.01216%0.159CC..Hα-helixtrans-67.3-43.1179.1-175.50000110.9L133 V134 G139 A140 V141 L159 I170 V172 L215L133-V137 HydrophobicContact CD2-CG2 4.09Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 3.23Å; L133-V137 VanDerWaalsContact O-N 3.09Å; V134-V137 PolarHBondContact O-N 2.84Å; V137-G139 VanDerWaalsContact C-N 3.29Å; V137-G139 PolarHBondContact O-N 3.02Å; V137-A140 WeakPolarHBondContact O-CB 3.36Å; V137-A140 PolarHBondContact O-N 3.11Å; V137-V141 HydrophobicContact CG1-CG2 4.22Å; V137-V141 WeakPolarHBondContact O-CG2 3.45Å; V137-V141 PolarHBondContact O-N 3.3Å; V137-L159 HydrophobicContact CG1-CD1 4.49Å; V137-L159 HydrophobicContact CG1-CD2 3.87Å; V137-L159 HydrophobicContact CG2-CD1 4.22Å; V137-L159 HydrophobicContact CG2-CD2 4.03Å; V137-I170 HydrophobicContact CG2-CG1 4.27Å; V137-I170 HydrophobicContact CG2-CG2 3.77Å; V137-V172 HydrophobicContact CG1-CG2 4.02Å; V137-L215 HydrophobicContact CB-CD2 4.24Å; V137-L215 HydrophobicContact CG1-CD2 3.39Å
138L98.5Very high96Very high0 Ų031.8 Ų31.80%019%0.186CC..Hα-helixtrans-58.1-41.1173.3-83.2172.1000112V134 G135 V141 S142 L215 F263 C278 A281 L282 I287V134-L138 HydrophobicContact CG1-CD1 3.92Å; V134-L138 HydrophobicContact CG1-CG 4.2Å; V134-L138 VanDerWaalsContact O-CB 3.31Å; V134-L138 WeakPolarHBondContact O-CB 3.49Å; V134-L138 WeakPolarHBondContact O-CG 3.17Å; V134-L138 PolarHBondContact O-N 3.14Å; G135-L138 PolarHBondContact O-N 2.92Å; L138-V141 PolarHBondContact O-N 3.39Å; L138-S142 WeakPolarHBondContact O-CB 3.12Å; L138-S142 PolarHBondContact O-N 2.94Å; L138-L215 HydrophobicContact CD2-CD1 3.63Å; L138-L215 HydrophobicContact CG-CD1 4.23Å; L138-F263 HydrophobicContact CD1-CE2 4.21Å; L138-F263 HydrophobicContact CD1-CZ 3.93Å; L138-C278 HydrophobicContact CD2-CB 4.1Å; L138-A281 HydrophobicContact CD1-CB 3.83Å; L138-A281 HydrophobicContact CD2-CB 3.73Å; L138-A281 HydrophobicContact CG-CB 4.47Å; L138-L282 HydrophobicContact CB-CD2 3.63Å; L138-L282 HydrophobicContact CB-CG 3.87Å; L138-L282 HydrophobicContact CD1-CD2 4.33Å; L138-L282 HydrophobicContact CD1-CG 4.43Å; L138-I287 HydrophobicContact CD1-CD1 4.29Å; L138-I287 HydrophobicContact CD1-CG1 4.19Å
139G98.4Very high95.5Very high20 Ų2028.6 Ų28.621%0.20617%0.173CC..Hα-helixtrans-59-48.4175.100000112.1G135 Q136 V137 S142 Y143G135-G139 PolarHBondContact O-N 2.87Å; Q136-G139 PolarHBondContact O-N 3.23Å; V137-G139 VanDerWaalsContact C-N 3.29Å; V137-G139 PolarHBondContact O-N 3.02Å; G139-S142 PolarHBondContact O-N 3.22Å; G139-Y143 PolarHBondContact O-N 2.85Å
140A97.5Very high95.1Very high0 Ų027.5 Ų27.50%017%0.168CC..Hα-helixtrans-59.7-49.7175.500000112.6N89 I90 Q136 V137 Y143 L144 V172N89-A140 HydrophobicContact CB-CB 4.01Å; I90-A140 HydrophobicContact CD1-CB 4.1Å; I90-A140 HydrophobicContact CG1-CB 3.65Å; Q136-A140 PolarHBondContact O-N 2.9Å; Q136-A140 VanDerWaalsContact O-N 3.09Å; V137-A140 WeakPolarHBondContact O-CB 3.36Å; V137-A140 PolarHBondContact O-N 3.11Å; A140-Y143 WeakPolarHBondContact O-CB 3.12Å; A140-Y143 PolarHBondContact O-N 2.9Å; A140-L144 PolarHBondContact O-N 3.14Å; A140-V172 HydrophobicContact CB-CB 4.49Å; A140-V172 HydrophobicContact CB-CG2 3.72Å
141V97.2Very high94.7Very high0 Ų027.5 Ų27.50%017%0.168CC..Hα-helixtrans-68.7-37.8-177.8178.20000110.8V137 L138 Y143 L144 H145 L154 D211 L215 C278V137-V141 HydrophobicContact CG1-CG2 4.22Å; V137-V141 WeakPolarHBondContact O-CG2 3.45Å; V137-V141 PolarHBondContact O-N 3.3Å; L138-V141 PolarHBondContact O-N 3.39Å; V141-Y143 VanDerWaalsContact C-N 3.3Å; V141-Y143 PolarHBondContact O-N 2.88Å; V141-L144 PolarHBondContact O-N 3.12Å; V141-H145 WeakPolarHBondContact CG1-NE2 3.15Å; V141-H145 WeakPolarHBondContact O-CB 3.03Å; V141-H145 PolarHBondContact O-CD2 3.17Å; V141-H145 VanDerWaalsContact O-CD2 3.28Å; V141-H145 VanDerWaalsContact O-CG 3.24Å; V141-H145 PolarHBondContact O-N 3.42Å; V141-L154 HydrophobicContact CG1-CD1 4.39Å; V141-L154 HydrophobicContact CG2-CD1 3.78Å; V141-L154 HydrophobicContact CG2-CD2 4.35Å; V141-D211 HydrophobicContact CG1-CB 3.87Å; V141-L215 HydrophobicContact CB-CD1 4.34Å; V141-L215 HydrophobicContact CG1-CD1 4.44Å; V141-L215 HydrophobicContact CG2-CD1 4.26Å; V141-C278 VanDerWaalsContact CG1-SG 3.57Å
142S97.7Very high94.1Very high20 Ų2030 Ų3014%0.1418%0.176CC..Hα-helixtrans-59.1-41.4172-175.40000111.6L138 G139 H145 S146L138-S142 WeakPolarHBondContact O-CB 3.12Å; L138-S142 PolarHBondContact O-N 2.94Å; G139-S142 PolarHBondContact O-N 3.22Å; S142-H145 PolarHBondContact O-N 3.02Å; S142-S146 PolarHBondContact O-N 3.14Å
143Y96.4Very high93.5Very high60 Ų6026.6 Ų26.624%0.23516%0.162CC..Hα-helixtrans-62.1-48.7174.4172.8-97.1000111.6I85 S86 H87 I90 G139 A140 V141 H145 S146 L147I85-Y143 HydrophobicContact CB-CE1 4.45Å; I85-Y143 HydrophobicContact CG1-CE1 4.48Å; I85-Y143 HydrophobicContact CG2-CE1 4.02Å; S86-Y143 PolarHBondContact N-OH 3.31Å; S86-Y143 VanDerWaalsContact N-OH 3.13Å; S86-Y143 PolarHBondContact O-OH 3.04Å; H87-Y143 HydrophobicContact CB-CD1 3.82Å; H87-Y143 HydrophobicContact CB-CE1 4.04Å; H87-Y143 HydrophobicContact CB-CG 4.24Å; H87-Y143 AromaticContact CD2-CG 3.83Å; I90-Y143 HydrophobicContact CD1-CD1 3.72Å; I90-Y143 HydrophobicContact CD1-CE1 4.37Å; G139-Y143 PolarHBondContact O-N 2.85Å; A140-Y143 WeakPolarHBondContact O-CB 3.12Å; A140-Y143 PolarHBondContact O-N 2.9Å; V141-Y143 VanDerWaalsContact C-N 3.3Å; V141-Y143 PolarHBondContact O-N 2.88Å; Y143-H145 VanDerWaalsContact C-N 3.3Å; Y143-H145 PolarHBondContact O-N 3.47Å; Y143-S146 WeakPolarHBondContact O-CB 3.23Å; Y143-S146 PolarHBondContact O-N 2.84Å; Y143-S146 VanDerWaalsContact O-N 3.09Å; Y143-S146 PolarHBondContact O-OG 3.34Å; Y143-L147 HydrophobicContact CD1-CD1 4.3Å; Y143-L147 HydrophobicContact CE1-CD1 3.62Å; Y143-L147 HydrophobicContact CE2-CD1 4.41Å; Y143-L147 PolarHBondContact O-N 3.4Å
144L93.5Very high93.2Very high0 Ų026.3 Ų26.30%016%0.161CC..Hα-helixtrans-56.3-45.6174.8-68.9176.9000111.7I85 I90 A140 V141 S146 L147 G148 I149 F175I85-L144 HydrophobicContact CD1-CD2 3.9Å; I85-L144 HydrophobicContact CG1-CD2 4.43Å; I85-L144 HydrophobicContact CG2-CD2 4.42Å; I90-L144 HydrophobicContact CD1-CD1 4.25Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 3.71Å; A140-L144 PolarHBondContact O-N 3.14Å; V141-L144 PolarHBondContact O-N 3.12Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 3.28Å; L144-L147 CarbonylContact O-C 3.57Å; L144-L147 WeakPolarHBondContact O-CA 3.41Å; L144-L147 WeakPolarHBondContact O-CB 3.49Å; L144-L147 PolarHBondContact O-N 3.42Å; L144-G148 PolarHBondContact O-N 2.73Å; L144-I149 CarbonylContact C-O 3.46Å; L144-I149 HydrophobicContact CB-CB 4.17Å; L144-I149 HydrophobicContact CB-CG2 4.47Å; L144-I149 HydrophobicContact CD2-CB 4.44Å; L144-I149 HydrophobicContact CD2-CD1 4.03Å; L144-I149 HydrophobicContact CD2-CG2 4.32Å; L144-I149 WeakPolarHBondContact O-CB 3.18Å; L144-I149 PolarHBondContact O-N 2.96Å; L144-F175 HydrophobicContact CD1-CB 4.1Å; L144-F175 HydrophobicContact CD1-CG 4.35Å; L144-F175 HydrophobicContact CD2-CD2 4.08Å; L144-F175 HydrophobicContact CD2-CE2 4.44Å
145H93.5Very high92.7Very high14 Ų1427.8 Ų27.87%0.06517%0.167CC..Hα-helixtrans-61-36.3177.9-75.9-170.2000111.9V141 S142 Y143 L147 G148 I149 K208 D211V141-H145 WeakPolarHBondContact CG1-NE2 3.15Å; V141-H145 WeakPolarHBondContact O-CB 3.03Å; V141-H145 PolarHBondContact O-CD2 3.17Å; V141-H145 VanDerWaalsContact O-CD2 3.28Å; V141-H145 VanDerWaalsContact O-CG 3.24Å; V141-H145 PolarHBondContact O-N 3.42Å; S142-H145 PolarHBondContact O-N 3.02Å; Y143-H145 VanDerWaalsContact C-N 3.3Å; Y143-H145 PolarHBondContact O-N 3.47Å; H145-L147 PolarHBondContact O-N 3.49Å; H145-G148 PolarHBondContact O-N 2.89Å; H145-I149 PolarHBondContact CD2-O 2.83Å; H145-I149 VanDerWaalsContact CD2-O 3.25Å; H145-K208 HydrophobicContact CB-CD 3.85Å; H145-K208 HydrophobicContact CB-CG 4.23Å; H145-K208 PolarHBondContact CE1-O 2.87Å; H145-K208 WeakPolarHBondContact O-CE 3.27Å; H145-K208 PolarHBondContact O-NZ 3.09Å; H145-D211 IonicContact CD2-OD2 2.62Å; H145-D211 IonicContact CE1-OD2 2.78Å; H145-D211 IonicContact NE2-OD2 2.92Å; H145-D211 PolarHBondContact NE2-OD2 3.35Å
146S93.8Very high92.1Very high82 Ų8227.4 Ų27.457%0.57316%0.161SC*.Hα-helixtrans-64.6-28.1175.981.50000112.9S142 Y143 L144 G148S142-S146 PolarHBondContact O-N 3.14Å; Y143-S146 WeakPolarHBondContact O-CB 3.23Å; Y143-S146 PolarHBondContact O-N 2.84Å; Y143-S146 VanDerWaalsContact O-N 3.09Å; Y143-S146 PolarHBondContact O-OG 3.34Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 3.28Å; S146-G148 VanDerWaalsContact C-N 3.31Å
147L89Confident91.4Very high81 Ų8128.6 Ų28.642%0.42417%0.167SC..THydrogen-bonded Turntrans-872.4174.9-58.9178.7000113.2I85 Y143 L144 H145 I149I85-L147 HydrophobicContact CG1-CD1 3.9Å; Y143-L147 HydrophobicContact CD1-CD1 4.3Å; Y143-L147 HydrophobicContact CE1-CD1 3.62Å; Y143-L147 HydrophobicContact CE2-CD1 4.41Å; Y143-L147 PolarHBondContact O-N 3.4Å; L144-L147 CarbonylContact O-C 3.57Å; L144-L147 WeakPolarHBondContact O-CA 3.41Å; L144-L147 WeakPolarHBondContact O-CB 3.49Å; L144-L147 PolarHBondContact O-N 3.42Å; H145-L147 PolarHBondContact O-N 3.49Å; L147-I149 VanDerWaalsContact C-N 3.3Å; L147-I149 HydrophobicContact CB-CD1 3.98Å; L147-I149 HydrophobicContact CB-CG1 4.1Å; L147-I149 HydrophobicContact CD1-CD1 4.27Å
148G85.9Confident90.9Very high57 Ų5728.9 Ų28.959%0.58817%0.168SC*.THydrogen-bonded Turntrans77.214.6-177.100000114.3L144 H145 S146L144-G148 PolarHBondContact O-N 2.73Å; H145-G148 PolarHBondContact O-N 2.89Å; S146-G148 VanDerWaalsContact C-N 3.31Å
149I86.3Confident90.6Very high22 Ų2228.9 Ų28.911%0.11317%0.168CC..  trans-92.6140.7178.6-53.1170.1000108.7V81 I85 L144 H145 L147V81-I149 HydrophobicContact CG1-CD1 3.29Å; V81-I149 HydrophobicContact CG1-CG1 3.78Å; I85-I149 HydrophobicContact CD1-CD1 3.43Å; I85-I149 VanDerWaalsContact CD1-CD1 3.43Å; I85-I149 HydrophobicContact CG1-CD1 4.05Å; L144-I149 CarbonylContact C-O 3.46Å; L144-I149 HydrophobicContact CB-CB 4.17Å; L144-I149 HydrophobicContact CB-CG2 4.47Å; L144-I149 HydrophobicContact CD2-CB 4.44Å; L144-I149 HydrophobicContact CD2-CD1 4.03Å; L144-I149 HydrophobicContact CD2-CG2 4.32Å; L144-I149 WeakPolarHBondContact O-CB 3.18Å; L144-I149 PolarHBondContact O-N 2.96Å; H145-I149 PolarHBondContact CD2-O 2.83Å; H145-I149 VanDerWaalsContact CD2-O 3.25Å; L147-I149 VanDerWaalsContact C-N 3.3Å; L147-I149 HydrophobicContact CB-CD1 3.98Å; L147-I149 HydrophobicContact CB-CG1 4.1Å; L147-I149 HydrophobicContact CD1-CD1 4.27Å
150V87.5Confident90.3Very high20 Ų2029.6 Ų29.612%0.12117%0.167CC..  trans-123.6127.2173.4-174.90000106.4R152 K208 V210 D211V150-R152 HydrophobicContact CB-CG 4.14Å; V150-R152 HydrophobicContact CG1-CG 3.75Å; V150-K208 HydrophobicContact CG2-CG 3.91Å; V150-V210 HydrophobicContact CG1-CG2 3.76Å; V150-D211 WeakPolarHBondContact CA-OD2 3.3Å; V150-D211 WeakPolarHBondContact CG1-OD2 3.49Å
151H89.4Confident90Very high0 Ų030.7 Ų30.70%017%0.171CC..  trans-66.9-48.2-174.9-171.7-66.6000111.8D153 L154 S173 F175 S178 D211H151-D153 VanDerWaalsContact CE1-C 3.49Å; H151-D153 PolarHBondContact CE1-O 3.14Å; H151-D153 VanDerWaalsContact CE1-O 3.23Å; H151-D153 PolarHBondContact ND1-N 2.81Å; H151-D153 PolarHBondContact ND1-O 3.15Å; H151-D153 PolarHBondContact O-N 2.96Å; H151-L154 HydrophobicContact CB-CD1 4.32Å; H151-L154 HydrophobicContact CB-CD2 4.27Å; H151-L154 HydrophobicContact CB-CG 3.86Å; H151-L154 PolarHBondContact ND1-N 2.9Å; H151-S173 PolarHBondContact NE2-O 2.93Å; H151-F175 WeakPolarHBondContact CD2-CB 3.31Å; H151-S178 WeakPolarHBondContact O-CB 3.14Å; H151-S178 PolarHBondContact O-OG 3.01Å; H151-D211 WeakPolarHBondContact CB-OD1 3.3Å; H151-D211 PolarHBondContact N-OD1 3.14Å; H151-D211 PolarHBondContact N-OD2 3.06Å
152R86.3Confident89.7Confident62 Ų6231.3 Ų31.323%0.23418%0.177CC..  trans70.6-20.6176.4-52.7164.6-179.1-133.9-10.7116.8V150 Y206 D211V150-R152 HydrophobicContact CB-CG 4.14Å; V150-R152 HydrophobicContact CG1-CG 3.75Å; R152-Y206 PolarHBondContact NH1-OH 3.33Å; R152-D211 PolarHBondContact N-OD1 2.66Å
153D83.9Confident89.4Confident54 Ų5432.6 Ų32.629%0.28918%0.184SC..  trans-124.843178.3-170.137.1000111.4H151 K155 N158H151-D153 VanDerWaalsContact CE1-C 3.49Å; H151-D153 PolarHBondContact CE1-O 3.14Å; H151-D153 VanDerWaalsContact CE1-O 3.23Å; H151-D153 PolarHBondContact ND1-N 2.81Å; H151-D153 PolarHBondContact ND1-O 3.15Å; H151-D153 PolarHBondContact O-N 2.96Å; D153-K155 PolarHBondContact O-N 2.99Å; D153-K155 IonicContact OD1-NZ 2.8Å; D153-K155 PolarHBondContact OD1-NZ 3.23Å; D153-K155 IonicContact OD2-NZ 3.81Å; D153-K155 PolarHBondContact OD2-NZ 2.81Å; D153-N158 PolarHBondContact O-ND2 2.89Å; D153-N158 PolarHBondContact OD2-ND2 2.98Å
154L89.6Confident88.9Confident3 Ų331.7 Ų31.72%0.01619%0.185CC..  trans-71.4124.8174.6-77.7173.3000109.5V141 H151 V172 D211 A214 L215 I218V141-L154 HydrophobicContact CG1-CD1 4.39Å; V141-L154 HydrophobicContact CG2-CD1 3.78Å; V141-L154 HydrophobicContact CG2-CD2 4.35Å; H151-L154 HydrophobicContact CB-CD1 4.32Å; H151-L154 HydrophobicContact CB-CD2 4.27Å; H151-L154 HydrophobicContact CB-CG 3.86Å; H151-L154 PolarHBondContact ND1-N 2.9Å; L154-V172 HydrophobicContact CD2-CG1 4.1Å; L154-D211 HydrophobicContact CD1-CB 3.69Å; L154-A214 HydrophobicContact CB-CB 3.7Å; L154-L215 HydrophobicContact CD1-CD1 4.46Å; L154-L215 HydrophobicContact CD1-CD2 4.09Å; L154-L215 HydrophobicContact CD1-CG 3.99Å; L154-I218 HydrophobicContact CB-CD1 4.47Å
155K87.2Confident88.7Confident34 Ų3438.1 Ų38.115%0.14821%0.213CC..  trans-160.4161.8177.860.3-178.1177.5-129.70109.1D153 E157 N158 Y195D153-K155 PolarHBondContact O-N 2.99Å; D153-K155 IonicContact OD1-NZ 2.8Å; D153-K155 PolarHBondContact OD1-NZ 3.23Å; D153-K155 IonicContact OD2-NZ 3.81Å; D153-K155 PolarHBondContact OD2-NZ 2.81Å; K155-E157 VanDerWaalsContact CB-OE2 3.29Å; K155-E157 WeakPolarHBondContact CB-OE2 3.22Å; K155-E157 HydrophobicContact CD-CB 4.46Å; K155-E157 VanDerWaalsContact CD-OE2 3.3Å; K155-E157 WeakPolarHBondContact CD-OE2 3.47Å; K155-E157 HydrophobicContact CG-CB 4.32Å; K155-E157 WeakPolarHBondContact CG-OE2 3.46Å; K155-E157 PolarHBondContact O-N 2.89Å; K155-E157 VanDerWaalsContact O-N 3.14Å; K155-N158 HydrophobicContact CG-CB 4.41Å; K155-N158 PolarHBondContact O-N 3.3Å; K155-Y195 HydrophobicContact CB-CD2 4.14Å; K155-Y195 HydrophobicContact CB-CE2 4.33Å; K155-Y195 HydrophobicContact CB-CG 4.27Å
156P86.3Confident88.2Confident7 Ų745.6 Ų45.65%0.04525%0.248CC..G310 helixtrans-52.6-34.9-177.6-29.337.2000114.6L115 F116 N158 L159 Y195 I218L115-P156 HydrophobicContact CD2-CB 4.49Å; F116-P156 HydrophobicContact CD2-CB 3.82Å; F116-P156 HydrophobicContact CD2-CG 4.18Å; F116-P156 HydrophobicContact CE2-CB 3.46Å; F116-P156 VanDerWaalsContact CE2-CB 3.46Å; F116-P156 HydrophobicContact CE2-CG 3.31Å; F116-P156 HydrophobicContact CZ-CB 4.01Å; F116-P156 HydrophobicContact CZ-CG 3.64Å; P156-N158 PolarHBondContact O-N 2.95Å; P156-L159 PolarHBondContact O-N 3.19Å; P156-Y195 VanDerWaalsContact CD-CZ 3.41Å; P156-Y195 WeakPolarHBondContact CD-OH 3.36Å; P156-Y195 HydrophobicContact CG-CE1 4.09Å; P156-Y195 WeakPolarHBondContact CG-OH 3.35Å; P156-I218 HydrophobicContact CG-CG1 4.44Å
157E83.3Confident87.8Confident63 Ų6348.5 Ų48.529%0.29426%0.257SS..G310 helixtrans-65.5-21.3179.2-5594.1133.300113K155K155-E157 VanDerWaalsContact CB-OE2 3.29Å; K155-E157 WeakPolarHBondContact CB-OE2 3.22Å; K155-E157 HydrophobicContact CD-CB 4.46Å; K155-E157 VanDerWaalsContact CD-OE2 3.3Å; K155-E157 WeakPolarHBondContact CD-OE2 3.47Å; K155-E157 HydrophobicContact CG-CB 4.32Å; K155-E157 WeakPolarHBondContact CG-OE2 3.46Å; K155-E157 PolarHBondContact O-N 2.89Å; K155-E157 VanDerWaalsContact O-N 3.14Å
158N88.4Confident87.9Confident8 Ų845.2 Ų45.24%0.04324%0.241CC..G310 helixtrans-98.79.6177.3-68.6-18.9000112.5D153 K155 P156 S173D153-N158 PolarHBondContact O-ND2 2.89Å; D153-N158 PolarHBondContact OD2-ND2 2.98Å; K155-N158 HydrophobicContact CG-CB 4.41Å; K155-N158 PolarHBondContact O-N 3.3Å; P156-N158 PolarHBondContact O-N 2.95Å; N158-S173 WeakPolarHBondContact CA-OG 3.3Å; N158-S173 PolarHBondContact O-N 3.35Å; N158-S173 PolarHBondContact O-OG 3.06Å
159L91.7Very high88.3Confident0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-117.2104175.6-60.3-177.8000109L115 V137 P156 I170 V172 I218L115-L159 HydrophobicContact CB-CB 4.25Å; L115-L159 HydrophobicContact CD2-CB 4.22Å; L115-L159 HydrophobicContact CD2-CD1 3.78Å; L115-L159 PolarHBondContact N-O 2.87Å; L115-L159 VanDerWaalsContact N-O 3.16Å; V137-L159 HydrophobicContact CG1-CD1 4.49Å; V137-L159 HydrophobicContact CG1-CD2 3.87Å; V137-L159 HydrophobicContact CG2-CD1 4.22Å; V137-L159 HydrophobicContact CG2-CD2 4.03Å; P156-L159 PolarHBondContact O-N 3.19Å; L159-I170 HydrophobicContact CB-CD1 4.14Å; L159-I170 HydrophobicContact CB-CG1 4.25Å; L159-V172 HydrophobicContact CD2-CG2 3.92Å; L159-I218 HydrophobicContact CD1-CD1 3.98Å; L159-I218 HydrophobicContact CD1-CG2 4.1Å
160L91.3Very high88.7Confident35 Ų3545.4 Ų45.418%0.18323%0.225CC..EExtended strand (participates in β ladder)trans-118.5140.7-171.3-57178.3000110.5V110 G113 E114 M171V110-L160 HydrophobicContact CG2-CB 3.75Å; V110-L160 HydrophobicContact CG2-CD1 3.49Å; V110-L160 VanDerWaalsContact CG2-CD1 3.49Å; V110-L160 HydrophobicContact CG2-CG 4.27Å; G113-L160 WeakPolarHBondContact O-CA 3.37Å; E114-L160 HydrophobicContact CB-CD2 4.39Å; E114-L160 HydrophobicContact CG-CD2 3.78Å; L160-M171 PolarHBondContact N-O 2.98Å; L160-M171 WeakPolarHBondContact O-CA 3.19Å; L160-M171 WeakPolarHBondContact O-CB 3.44Å; L160-M171 PolarHBondContact O-N 2.77Å
161Y92.6Very high89.1Confident23 Ų2344.5 Ų44.59%0.0922%0.219CC..EExtended strand (participates in β ladder)trans-75.2138.2170.8-76.2-91.4000110.1G112 G113 L115 R118 L133 T163 S168 I170G112-Y161 WeakPolarHBondContact CA-O 3.31Å; G112-Y161 PolarHBondContact N-O 3.23Å; G113-Y161 PolarHBondContact O-N 3.11Å; L115-Y161 HydrophobicContact CD1-CE2 4.21Å; R118-Y161 HydrophobicContact CB-CD2 3.64Å; R118-Y161 HydrophobicContact CB-CE2 3.41Å; R118-Y161 VanDerWaalsContact CB-CE2 3.41Å; R118-Y161 HydrophobicContact CG-CD2 3.48Å; R118-Y161 VanDerWaalsContact CG-CD2 3.48Å; R118-Y161 HydrophobicContact CG-CE2 3.85Å; R118-Y161 HydrophobicContact CG-CG 4.17Å; L133-Y161 WeakPolarHBondContact CD1-OH 3.32Å; Y161-T163 VanDerWaalsContact C-N 3.32Å; Y161-T163 PolarHBondContact O-N 2.92Å; Y161-S168 VanDerWaalsContact CD1-O 3.3Å; Y161-S168 WeakPolarHBondContact CD1-O 3.29Å; Y161-S168 WeakPolarHBondContact CE1-O 3.33Å; Y161-I170 HydrophobicContact CD1-CD1 4.46Å; Y161-I170 HydrophobicContact CD2-CD1 3.89Å; Y161-I170 HydrophobicContact CE1-CD1 4.47Å; Y161-I170 HydrophobicContact CE2-CD1 3.91Å; Y161-I170 HydrophobicContact CG-CD1 4.21Å
162A91.3Very high89.3Confident13 Ų1344.5 Ų44.511%0.10722%0.219CC..SBendtrans-59.9-42.4-179.400000112.4T111 S168 K169 M171T111-A162 PolarHBondContact N-O 3.44Å; T111-A162 PolarHBondContact OG1-O 2.97Å; A162-S168 PolarHBondContact N-OG 2.76Å; A162-S168 VanDerWaalsContact N-OG 3.14Å; A162-K169 HydrophobicContact CB-CG 3.92Å; A162-K169 PolarHBondContact N-O 3.3Å; A162-M171 HydrophobicContact CB-CG 3.84Å; A162-M171 HydrophobicContact CB-SD 4.31Å
163T90.6Very high89.4Confident47 Ų4741.9 Ų41.929%0.28821%0.211SC..SBendtrans-139.4160.4-174.271.60000110.9G112 Y161 F165 S168G112-T163 WeakPolarHBondContact CA-O 3.37Å; Y161-T163 VanDerWaalsContact C-N 3.32Å; Y161-T163 PolarHBondContact O-N 2.92Å; T163-F165 PolarHBondContact O-N 3.01Å; T163-F165 WeakPolarHBondContact OG1-CD2 3.49Å; T163-S168 PolarHBondContact N-OG 3.23Å; T163-S168 WeakPolarHBondContact O-CB 3.35Å; T163-S168 PolarHBondContact O-OG 3.29Å; T163-S168 VanDerWaalsContact O-OG 3.11Å; T163-S168 WeakPolarHBondContact OG1-CB 3.45Å; T163-S168 PolarHBondContact OG1-OG 3.47Å
164P86.5Confident89.3Confident40 Ų4041.6 Ų41.626%0.2621%0.209SC..SBendtrans-74.2-2.7178.730.5-37000113.9R118R118-P164 VanDerWaalsContact CZ-O 3.32Å; R118-P164 PolarHBondContact NH1-O 3.27Å; R118-P164 PolarHBondContact NH2-O 2.7Å
165F88.3Confident88.5Confident135 Ų13541.7 Ų41.759%0.59221%0.21SC*.SBendtrans-74152.2-179.7-56.5-63.9000111.8R118 T163 D167 S168R118-F165 PolarHBondContact NH2-O 3.26Å; T163-F165 PolarHBondContact O-N 3.01Å; T163-F165 WeakPolarHBondContact OG1-CD2 3.49Å; F165-D167 VanDerWaalsContact C-N 3.3Å; F165-D167 WeakPolarHBondContact CB-OD1 3.23Å; F165-D167 PolarHBondContact O-N 3.16Å; F165-S168 WeakPolarHBondContact O-CB 3.43Å; F165-S168 PolarHBondContact O-N 3.2Å; F165-S168 VanDerWaalsContact O-N 3.14Å
166E82.6Confident87.3Confident171 Ų17140.5 Ų40.580%0.79921%0.207SC*.THydrogen-bonded Turntrans-63.3-34.6-174.4-172.5173.7-171.500112.8S168E166-S168 PolarHBondContact O-N 2.8Å
167D85.6Confident86.1Confident143 Ų14340.4 Ų40.477%0.76521%0.206SC*.THydrogen-bonded Turntrans-82.610.6177.566.2-28.5000113.6F165 K169F165-D167 VanDerWaalsContact C-N 3.3Å; F165-D167 WeakPolarHBondContact CB-OD1 3.23Å; F165-D167 PolarHBondContact O-N 3.16Å; D167-K169 PolarHBondContact O-N 3.19Å
168S91.9Very high84.8Confident13 Ų1338 Ų389%0.09120%0.196CC..PPolyproline II helixtrans-63.8133-178-175.10000111.9Y161 A162 T163 F165 E166Y161-S168 VanDerWaalsContact CD1-O 3.3Å; Y161-S168 WeakPolarHBondContact CD1-O 3.29Å; Y161-S168 WeakPolarHBondContact CE1-O 3.33Å; A162-S168 PolarHBondContact N-OG 2.76Å; A162-S168 VanDerWaalsContact N-OG 3.14Å; T163-S168 PolarHBondContact N-OG 3.23Å; T163-S168 WeakPolarHBondContact O-CB 3.35Å; T163-S168 PolarHBondContact O-OG 3.29Å; T163-S168 VanDerWaalsContact O-OG 3.11Å; T163-S168 WeakPolarHBondContact OG1-CB 3.45Å; T163-S168 PolarHBondContact OG1-OG 3.47Å; F165-S168 WeakPolarHBondContact O-CB 3.43Å; F165-S168 PolarHBondContact O-N 3.2Å; F165-S168 VanDerWaalsContact O-N 3.14Å; E166-S168 PolarHBondContact O-N 2.8Å
169K93.3Very high83.2Confident80 Ų8043.7 Ų43.735%0.34822%0.22SC..PPolyproline II helixtrans-68.8153.3168.163.1-179.9177.8167.20112.1P88 A162 D167 M171P88-K169 WeakPolarHBondContact O-CD 3.3Å; P88-K169 VanDerWaalsContact O-CE 3.32Å; P88-K169 WeakPolarHBondContact O-CE 3.33Å; P88-K169 PolarHBondContact O-NZ 3.48Å; A162-K169 HydrophobicContact CB-CG 3.92Å; A162-K169 PolarHBondContact N-O 3.3Å; D167-K169 PolarHBondContact O-N 3.19Å; K169-M171 HydrophobicContact CD-SD 3.91Å; K169-M171 VanDerWaalsContact CE-SD 3.51Å; K169-M171 HydrophobicContact CG-SD 4.06Å
170I95.5Very high81.3Confident2 Ų244 Ų441%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-83.2145.1170.2-16369.3000110.2N89 L115 L133 Q136 V137 L159 Y161N89-I170 WeakPolarHBondContact CB-O 3.46Å; N89-I170 PolarHBondContact ND2-O 3.06Å; L115-I170 HydrophobicContact CD1-CD1 4.28Å; L133-I170 HydrophobicContact CG-CB 4.45Å; L133-I170 HydrophobicContact CG-CG1 4.5Å; L133-I170 HydrophobicContact CG-CG2 4.42Å; Q136-I170 HydrophobicContact CB-CG2 3.58Å; Q136-I170 HydrophobicContact CG-CG2 4.46Å; V137-I170 HydrophobicContact CG2-CG1 4.27Å; V137-I170 HydrophobicContact CG2-CG2 3.77Å; L159-I170 HydrophobicContact CB-CD1 4.14Å; L159-I170 HydrophobicContact CB-CG1 4.25Å; Y161-I170 HydrophobicContact CD1-CD1 4.46Å; Y161-I170 HydrophobicContact CD2-CD1 3.89Å; Y161-I170 HydrophobicContact CE1-CD1 4.47Å; Y161-I170 HydrophobicContact CE2-CD1 3.91Å; Y161-I170 HydrophobicContact CG-CD1 4.21Å
171M95.1Very high79.2Confident1 Ų144.6 Ų44.61%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-127.1131.9-178.5-56.7-68.1-7400109.4I90 V91 V110 L160 A162 K169I90-M171 WeakPolarHBondContact O-CE 3.35Å; V91-M171 HydrophobicContact CG2-CB 4.04Å; V110-M171 HydrophobicContact CG1-CB 4.23Å; V110-M171 HydrophobicContact CG1-CG 3.98Å; L160-M171 PolarHBondContact N-O 2.98Å; L160-M171 WeakPolarHBondContact O-CA 3.19Å; L160-M171 WeakPolarHBondContact O-CB 3.44Å; L160-M171 PolarHBondContact O-N 2.77Å; A162-M171 HydrophobicContact CB-CG 3.84Å; A162-M171 HydrophobicContact CB-SD 4.31Å; K169-M171 HydrophobicContact CD-SD 3.91Å; K169-M171 VanDerWaalsContact CE-SD 3.51Å; K169-M171 HydrophobicContact CG-SD 4.06Å
172V94.6Very high77.1Confident0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-83.9122.5170.4-178.10000108.8N89 V91 V137 A140 L154 L159N89-V172 PolarHBondContact O-N 2.62Å; V91-V172 PolarHBondContact N-O 3.07Å; V137-V172 HydrophobicContact CG1-CG2 4.02Å; A140-V172 HydrophobicContact CB-CB 4.49Å; A140-V172 HydrophobicContact CB-CG2 3.72Å; L154-V172 HydrophobicContact CD2-CG1 4.1Å; L159-V172 HydrophobicContact CD2-CG2 3.92Å
173S89.1Confident74.9Confident8 Ų846.1 Ų46.16%0.05625%0.246CC..  trans-112171.8177.163.80000111.8H151 N158 F175H151-S173 PolarHBondContact NE2-O 2.93Å; N158-S173 WeakPolarHBondContact CA-OG 3.3Å; N158-S173 PolarHBondContact O-N 3.35Å; N158-S173 PolarHBondContact O-OG 3.06Å; S173-F175 PolarHBondContact O-N 3.11Å
174D80Confident72.4Confident48 Ų4848 Ų4826%0.25725%0.254SS..  trans58.422.7169.5-78.9-36.2000117.8K61 G176K61-D174 IonicContact NZ-OD1 3.69Å; K61-D174 PolarHBondContact NZ-OD1 3.08Å; D174-G176 PolarHBondContact O-N 3.22Å
175F72.6Confident70.2Confident5 Ų549.1 Ų49.12%0.02226%0.257CS..  trans-751.7175.259.6-86000115L82 I85 I90 V91 L144 H151 S173L82-F175 HydrophobicContact CD2-CD2 3.56Å; L82-F175 HydrophobicContact CD2-CE2 3.22Å; L82-F175 HydrophobicContact CD2-CZ 4.19Å; I85-F175 HydrophobicContact CD1-CD2 4.07Å; I85-F175 HydrophobicContact CD1-CE2 3.45Å; I85-F175 VanDerWaalsContact CD1-CE2 3.45Å; I85-F175 HydrophobicContact CD1-CZ 4.42Å; I85-F175 HydrophobicContact CG2-CE2 4.18Å; I85-F175 HydrophobicContact CG2-CZ 4.22Å; I90-F175 HydrophobicContact CG2-CD1 3.78Å; I90-F175 HydrophobicContact CG2-CE1 3.13Å; I90-F175 HydrophobicContact CG2-CE2 4.08Å; I90-F175 HydrophobicContact CG2-CZ 3.31Å; V91-F175 WeakPolarHBondContact O-CE1 3.32Å; V91-F175 WeakPolarHBondContact O-CZ 3.33Å; L144-F175 HydrophobicContact CD1-CB 4.1Å; L144-F175 HydrophobicContact CD1-CG 4.35Å; L144-F175 HydrophobicContact CD2-CD2 4.08Å; L144-F175 HydrophobicContact CD2-CE2 4.44Å; H151-F175 WeakPolarHBondContact CD2-CB 3.31Å; S173-F175 PolarHBondContact O-N 3.11Å
176G61.9Low67.8Low9 Ų948.8 Ų48.89%0.09326%0.26CS..SBendtrans-112.1130.3-174.100000113.5D174D174-G176 PolarHBondContact O-N 3.22Å
177L62.6Low65.6Low5 Ų544 Ų443%0.02626%0.256CS..SBendtrans78.69.1-178.4-48.5167.5000115.1I63 V75 E78 L105 K179 I180 Q181I63-L177 HydrophobicContact CD1-CD1 3.21Å; V75-L177 HydrophobicContact CB-CD2 4.34Å; V75-L177 HydrophobicContact CG1-CD2 4.03Å; V75-L177 HydrophobicContact CG2-CD2 4.26Å; E78-L177 HydrophobicContact CB-CD2 4.08Å; E78-L177 VanDerWaalsContact CD-CA 3.4Å; E78-L177 HydrophobicContact CG-CD2 4.01Å; E78-L177 WeakPolarHBondContact OE1-CA 3.49Å; E78-L177 PolarHBondContact OE1-N 2.97Å; E78-L177 WeakPolarHBondContact OE2-CA 3.42Å; L105-L177 HydrophobicContact CD1-CD1 4.16Å; L177-K179 VanDerWaalsContact C-N 3.29Å; L177-K179 PolarHBondContact O-N 2.9Å; L177-I180 HydrophobicContact CD2-CD1 3.71Å; L177-I180 WeakPolarHBondContact O-CB 3.31Å; L177-I180 PolarHBondContact O-N 3.41Å; L177-Q181 PolarHBondContact O-N 3.46Å
178S55.7Low63.2Low11 Ų1141.5 Ų41.58%0.07725%0.246CC..Hα-helixtrans-63.7-33.4179.2640000112.3H151 I180 Q181 A182H151-S178 WeakPolarHBondContact O-CB 3.14Å; H151-S178 PolarHBondContact O-OG 3.01Å; S178-I180 VanDerWaalsContact C-N 3.29Å; S178-I180 PolarHBondContact O-N 3.42Å; S178-Q181 PolarHBondContact O-N 2.74Å; S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.41Å; S178-A182 PolarHBondContact O-N 2.73Å
179K53.7Low60.3Low128 Ų12845.2 Ų45.256%0.55728%0.278SS*.Hα-helixtrans-64.5-33.7173.6-174.5167.5-174.4-1770112.6L177L177-K179 VanDerWaalsContact C-N 3.29Å; L177-K179 PolarHBondContact O-N 2.9Å
180I53.3Low57.3Low8 Ų845.2 Ų45.24%0.04129%0.287CS..Hα-helixtrans-79.2-38.5-178.4-61.4-176.6000110.1L68 K71 L74 V75 E78 L177 S178L68-I180 HydrophobicContact CD2-CG2 4.27Å; K71-I180 HydrophobicContact CB-CG2 3.93Å; K71-I180 HydrophobicContact CD-CB 4.38Å; K71-I180 HydrophobicContact CD-CG2 3.42Å; K71-I180 VanDerWaalsContact CD-CG2 3.42Å; K71-I180 HydrophobicContact CG-CG2 4.31Å; K71-I180 PolarHBondContact NZ-O 3.43Å; L74-I180 HydrophobicContact CB-CD1 3.8Å; L74-I180 HydrophobicContact CB-CG1 4.11Å; V75-I180 HydrophobicContact CB-CD1 4.04Å; V75-I180 HydrophobicContact CG2-CD1 3.38Å; V75-I180 HydrophobicContact CG2-CG2 4.43Å; E78-I180 WeakPolarHBondContact OE2-CD1 3.48Å; E78-I180 WeakPolarHBondContact OE2-CG1 3.32Å; L177-I180 HydrophobicContact CD2-CD1 3.71Å; L177-I180 WeakPolarHBondContact O-CB 3.31Å; L177-I180 PolarHBondContact O-N 3.41Å; S178-I180 VanDerWaalsContact C-N 3.29Å; S178-I180 PolarHBondContact O-N 3.42Å
181Q47.1Very low55Low46 Ų4646.9 Ų46.922%0.21531%0.305CS..Hα-helixtrans-67-40.7172.1-74.2-176.8-4.100112.4F43 L177 S178 G183 N184 M185F43-Q181 HydrophobicContact CD2-CG 4.43Å; L177-Q181 PolarHBondContact O-N 3.46Å; S178-Q181 PolarHBondContact O-N 2.74Å; Q181-G183 VanDerWaalsContact C-N 3.27Å; Q181-G183 PolarHBondContact O-N 3.19Å; Q181-N184 PolarHBondContact O-N 2.71Å; Q181-M185 HydrophobicContact CB-CE 4.21Å; Q181-M185 WeakPolarHBondContact O-CG 3.49Å; Q181-M185 PolarHBondContact O-N 2.72Å
182A47.4Very low53.2Low24 Ų2449.6 Ų49.620%0.19832%0.322CS..Hα-helixtrans-56.1-37.9179.500000113.1S178 N184 M185 L186S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.41Å; S178-A182 PolarHBondContact O-N 2.73Å; A182-N184 PolarHBondContact O-N 3.01Å; A182-M185 PolarHBondContact O-N 3.47Å; A182-M185 VanDerWaalsContact O-N 3.16Å; A182-L186 PolarHBondContact O-N 2.8Å
183G45Very low51.8Low45 Ų4551.3 Ų51.346%0.46433%0.333SS..Hα-helixtrans-65-18.4176.400000114.9Q181Q181-G183 VanDerWaalsContact C-N 3.27Å; Q181-G183 PolarHBondContact O-N 3.19Å
184N39.3Very low51.4Low86 Ų8651.4 Ų51.446%0.4634%0.335SS..Hα-helixtrans-101-18.8172.8-73.1-2.1000112.8K71 Q181 A182K71-N184 PolarHBondContact NZ-ND2 2.83Å; K71-N184 PolarHBondContact NZ-OD1 3.16Å; Q181-N184 PolarHBondContact O-N 2.71Å; A182-N184 PolarHBondContact O-N 3.01Å
185M39.9Very low51.8Low64 Ų6450.1 Ų50.132%0.31533%0.326SS..Hα-helixtrans-86.1-5-179.6-72.2-177.817700114F43 Q181 A182 G187 T188F43-M185 HydrophobicContact CE2-CE 4.42Å; Q181-M185 HydrophobicContact CB-CE 4.21Å; Q181-M185 WeakPolarHBondContact O-CG 3.49Å; Q181-M185 PolarHBondContact O-N 2.72Å; A182-M185 PolarHBondContact O-N 3.47Å; A182-M185 VanDerWaalsContact O-N 3.16Å; M185-G187 PolarHBondContact O-N 2.76Å; M185-T188 PolarHBondContact O-N 3.01Å
186L38.3Very low52.5Low128 Ų12851.8 Ų51.867%0.6734%0.337SS*.THydrogen-bonded Turntrans-58.4-9.2176.8-75.1165.7000114.4A182A182-L186 PolarHBondContact O-N 2.8Å
187G36.1Very low53.9Low69 Ų6951.4 Ų51.471%0.71133%0.333SS*.THydrogen-bonded Turntrans-122.13.8-179.600000115.9M185M185-G187 PolarHBondContact O-N 2.76Å
188T34.8Very low55.3Low91 Ų9151.2 Ų51.256%0.55833%0.332SS*.SBendtrans-150.4116.8-179-290000110M185 C190M185-T188 PolarHBondContact O-N 3.01Å; T188-C190 VanDerWaalsContact C-N 3.26Å; T188-C190 VanDerWaalsContact CG2-SG 3.58Å; T188-C190 PolarHBondContact O-N 3.24Å
189A32Very low57Low91 Ų9151 Ų5175%0.75233%0.33SS*.  trans-62.284.1175.100000110
190C30.4Very low58.5Low80 Ų8047.1 Ų47.154%0.54132%0.315SS..  trans-117.120.7-174-67.20000113.7T188T188-C190 VanDerWaalsContact C-N 3.26Å; T188-C190 VanDerWaalsContact CG2-SG 3.58Å; T188-C190 PolarHBondContact O-N 3.24Å
191G46.6Very low60Low37 Ų3749.3 Ų49.338%0.38133%0.327SS..SBendtrans-114.9162.5164.400000109.9P193G191-P193 WeakPolarHBondContact O-CD 3.39Å
192T57.8Low61.8Low59 Ų5950.4 Ų50.436%0.36233%0.332SS..  trans-62.2104.4166.4-49.90000107.1G194 Y195T192-G194 PolarHBondContact O-N 3.3Å; T192-Y195 HydrophobicContact CG2-CD2 4.13Å; T192-Y195 HydrophobicContact CG2-CE2 3.81Å; T192-Y195 PolarHBondContact O-N 2.92Å
193P65.4Low63.5Low35 Ų3556.4 Ų56.423%0.22736%0.356CS..G310 helixtrans-59.4-24-164.719.4-30.6000113.8G191 Y195 V196 L237 F238 I241G191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-Y195 PolarHBondContact O-N 2.94Å; P193-Y195 VanDerWaalsContact O-N 3.1Å; P193-V196 WeakPolarHBondContact O-CB 3.08Å; P193-V196 PolarHBondContact O-N 3.19Å; P193-V196 VanDerWaalsContact O-N 3.1Å; P193-L237 HydrophobicContact CB-CD2 4Å; P193-L237 HydrophobicContact CG-CD2 3.55Å; P193-F238 HydrophobicContact CB-CE1 3.63Å; P193-F238 HydrophobicContact CB-CZ 4.35Å; P193-I241 WeakPolarHBondContact O-CD1 3.25Å
194G79.6Confident65.2Low10 Ų1059.2 Ų59.210%0.10336%0.355CS..G310 helixtrans-60.9-17.2-177.200000116.4T192T192-G194 PolarHBondContact O-N 3.3Å
195Y87.8Confident67.1Low21 Ų2161.4 Ų61.48%0.08237%0.374CS..G310 helixtrans-99-5.2178.3-55.4-84.7000113.6K155 P156 T192 P193 V217 I218 I221K155-Y195 HydrophobicContact CB-CD2 4.14Å; K155-Y195 HydrophobicContact CB-CE2 4.33Å; K155-Y195 HydrophobicContact CB-CG 4.27Å; P156-Y195 VanDerWaalsContact CD-CZ 3.41Å; P156-Y195 WeakPolarHBondContact CD-OH 3.36Å; P156-Y195 HydrophobicContact CG-CE1 4.09Å; P156-Y195 WeakPolarHBondContact CG-OH 3.35Å; T192-Y195 HydrophobicContact CG2-CD2 4.13Å; T192-Y195 HydrophobicContact CG2-CE2 3.81Å; T192-Y195 PolarHBondContact O-N 2.92Å; P193-Y195 PolarHBondContact O-N 2.94Å; P193-Y195 VanDerWaalsContact O-N 3.1Å; Y195-V217 HydrophobicContact CD1-CB 3.89Å; Y195-V217 HydrophobicContact CD1-CG1 3.37Å; Y195-V217 HydrophobicContact CE1-CB 4.37Å; Y195-V217 HydrophobicContact CE1-CG1 3.54Å; Y195-V217 HydrophobicContact CG-CG1 4.22Å; Y195-I218 HydrophobicContact CD1-CG1 4.21Å; Y195-I218 HydrophobicContact CE1-CG1 4.06Å; Y195-I221 HydrophobicContact CE1-CD1 3.69Å; Y195-I221 WeakPolarHBondContact OH-CD1 3.4Å
196V88.1Confident69.1Low41 Ų4162.2 Ų62.225%0.24837%0.374CS..  trans-79.6131.8-174.5-1790000110.2P193 L200 L201 W213 I241P193-V196 WeakPolarHBondContact O-CB 3.08Å; P193-V196 PolarHBondContact O-N 3.19Å; P193-V196 VanDerWaalsContact O-N 3.1Å; V196-L200 HydrophobicContact CG1-CB 3.58Å; V196-L200 HydrophobicContact CG1-CD1 3.99Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L201 HydrophobicContact CB-CD2 4.44Å; V196-L201 HydrophobicContact CG1-CD2 3.87Å; V196-L201 HydrophobicContact CG1-CG 4.03Å; V196-W213 PolarHBondContact O-NE1 3.4Å; V196-W213 VanDerWaalsContact O-NE1 3.16Å; V196-I241 WeakPolarHBondContact O-CG2 3.45Å
197A90.9Very high71.4Confident1 Ų157.6 Ų57.61%0.00836%0.357CS..  trans-70.1151.7178.500000112.6E199 L200 L201 V210 W213A197-E199 VanDerWaalsContact C-N 3.29Å; A197-E199 HydrophobicContact CB-CG 4.44Å; A197-E199 PolarHBondContact O-N 3.4Å; A197-L200 HydrophobicContact CB-CD1 4.42Å; A197-L200 WeakPolarHBondContact O-CB 3.22Å; A197-L200 PolarHBondContact O-N 3.39Å; A197-L201 PolarHBondContact O-N 3.18Å; A197-V210 HydrophobicContact CB-CB 4.04Å; A197-V210 HydrophobicContact CB-CG1 4.02Å; A197-W213 VanDerWaalsContact CA-CD1 3.48Å; A197-W213 HydrophobicContact CB-CB 3.8Å; A197-W213 HydrophobicContact CB-CD2 4.31Å; A197-W213 HydrophobicContact CB-CG 3.72Å
198P93.3Very high74.1Confident1 Ų158.9 Ų58.91%0.00634%0.343CS..Hα-helixtrans-54.6-42.9-178.5-26.134.4000113L200 L201 E202 W213 I241P198-L200 PolarHBondContact O-N 3.41Å; P198-L201 PolarHBondContact O-N 3.33Å; P198-L201 VanDerWaalsContact O-N 3.12Å; P198-E202 WeakPolarHBondContact O-CG 3.42Å; P198-E202 PolarHBondContact O-N 2.92Å; P198-W213 HydrophobicContact CG-CE3 4.19Å; P198-W213 HydrophobicContact CG-CH2 3.54Å; P198-W213 HydrophobicContact CG-CZ2 3.9Å; P198-W213 HydrophobicContact CG-CZ3 3.7Å; P198-I241 HydrophobicContact CG-CG2 4.28Å; P198-I241 WeakPolarHBondContact CG-O 3.37Å
199E91Very high77.1Confident5 Ų555.4 Ų55.42%0.02332%0.324CS..Hα-helixtrans-65.5-24.4-178.262.6-92.3-150.100113.9A197 Q203 K204 V210 R275A197-E199 VanDerWaalsContact C-N 3.29Å; A197-E199 HydrophobicContact CB-CG 4.44Å; A197-E199 PolarHBondContact O-N 3.4Å; E199-Q203 PolarHBondContact O-N 3.13Å; E199-K204 HydrophobicContact CB-CB 4.32Å; E199-K204 PolarHBondContact O-N 3.2Å; E199-V210 HydrophobicContact CG-CG1 4.09Å; E199-V210 WeakPolarHBondContact OE1-CG1 3.19Å; E199-R275 IonicContact OE1-CZ 3.47Å; E199-R275 IonicContact OE1-NH1 3.01Å; E199-R275 PolarHBondContact OE1-NH1 2.94Å; E199-R275 IonicContact OE1-NH2 3.34Å; E199-R275 IonicContact OE2-CZ 3.93Å; E199-R275 IonicContact OE2-NH1 2.76Å; E199-R275 PolarHBondContact OE2-NH1 3.25Å; E199-R275 IonicContact OE2-NH2 3.8Å; E199-R275 PolarHBondContact OE2-NH2 3.29Å
200L85.3Confident80Confident48 Ų4851.3 Ų51.325%0.25129%0.29SS..Hα-helixtrans-74.1-40.7173.7-77.2168.3000111V196 A197 P198 Q203 Y206 V210V196-L200 HydrophobicContact CG1-CB 3.58Å; V196-L200 HydrophobicContact CG1-CD1 3.99Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; A197-L200 HydrophobicContact CB-CD1 4.42Å; A197-L200 WeakPolarHBondContact O-CB 3.22Å; A197-L200 PolarHBondContact O-N 3.39Å; P198-L200 PolarHBondContact O-N 3.41Å; L200-Q203 PolarHBondContact O-N 3.42Å; L200-Y206 HydrophobicContact CD2-CD1 3.4Å; L200-Y206 VanDerWaalsContact CD2-CD1 3.4Å; L200-Y206 HydrophobicContact CD2-CD2 3.75Å; L200-Y206 HydrophobicContact CD2-CE1 3.56Å; L200-Y206 HydrophobicContact CD2-CE2 3.9Å; L200-Y206 HydrophobicContact CD2-CG 3.51Å; L200-Y206 HydrophobicContact CG-CD1 4.47Å; L200-Y206 HydrophobicContact CG-CG 4.3Å; L200-V210 HydrophobicContact CD1-CB 3.95Å; L200-V210 HydrophobicContact CD1-CG1 3.85Å; L200-V210 HydrophobicContact CD1-CG2 4.44Å; L200-V210 HydrophobicContact CG-CG1 3.93Å
201L84.6Confident83.1Confident54 Ų5447.6 Ų47.628%0.28327%0.265SS..Hα-helixtrans-66.7-38.2174.8-62.8-178.2000111.6V196 A197 P198 Q203 F238 I241 L242V196-L201 HydrophobicContact CB-CD2 4.44Å; V196-L201 HydrophobicContact CG1-CD2 3.87Å; V196-L201 HydrophobicContact CG1-CG 4.03Å; A197-L201 PolarHBondContact O-N 3.18Å; P198-L201 PolarHBondContact O-N 3.33Å; P198-L201 VanDerWaalsContact O-N 3.12Å; L201-Q203 PolarHBondContact O-N 3.15Å; L201-F238 HydrophobicContact CD1-CB 4.34Å; L201-F238 HydrophobicContact CD1-CD1 3.79Å; L201-F238 HydrophobicContact CD1-CG 4.38Å; L201-F238 HydrophobicContact CD2-CD1 4.05Å; L201-F238 HydrophobicContact CD2-CE1 4.08Å; L201-I241 HydrophobicContact CD1-CB 3.94Å; L201-I241 HydrophobicContact CD1-CD1 4.21Å; L201-I241 HydrophobicContact CD1-CG2 3.57Å; L201-L242 HydrophobicContact CB-CD2 3.96Å; L201-L242 HydrophobicContact CD1-CG 4.41Å
202E84.5Confident85.6Confident69 Ų6945.9 Ų45.932%0.32225%0.247SC..THydrogen-bonded Turntrans-74.4-2.2175.2-64.5178.8130.300113.4P198 K204 L242 R270P198-E202 WeakPolarHBondContact O-CG 3.42Å; P198-E202 PolarHBondContact O-N 2.92Å; E202-K204 HydrophobicContact CB-CD 4.1Å; E202-K204 HydrophobicContact CB-CG 3.99Å; E202-K204 PolarHBondContact O-N 3.5Å; E202-K204 VanDerWaalsContact O-N 3.17Å; E202-K204 IonicContact OE1-NZ 3.99Å; E202-K204 PolarHBondContact OE1-NZ 3.39Å; E202-K204 VanDerWaalsContact OE1-NZ 3.13Å; E202-K204 WeakPolarHBondContact OE2-CD 3.43Å; E202-K204 VanDerWaalsContact OE2-CE 3.23Å; E202-K204 WeakPolarHBondContact OE2-CE 3.42Å; E202-K204 IonicContact OE2-NZ 2.69Å; E202-K204 PolarHBondContact OE2-NZ 3.05Å; E202-L242 HydrophobicContact CG-CD2 3.39Å; E202-R270 IonicContact OE1-NH2 3.81Å
203Q81.9Confident87.5Confident150 Ų15043 Ų4370%0.70123%0.229SC*.THydrogen-bonded Turntrans54.930.3-176.6-55.2-177.4-7.400113.7E199 L200 L201E199-Q203 PolarHBondContact O-N 3.13Å; L200-Q203 PolarHBondContact O-N 3.42Å; L201-Q203 PolarHBondContact O-N 3.15Å
204K81.1Confident89Confident103 Ų10341.6 Ų41.645%0.44822%0.22SC..  trans-80.7159.3176.3-71.4177.5-175.1161.10110.4E199 E202 Y206E199-K204 HydrophobicContact CB-CB 4.32Å; E199-K204 PolarHBondContact O-N 3.2Å; E202-K204 HydrophobicContact CB-CD 4.1Å; E202-K204 HydrophobicContact CB-CG 3.99Å; E202-K204 PolarHBondContact O-N 3.5Å; E202-K204 VanDerWaalsContact O-N 3.17Å; E202-K204 IonicContact OE1-NZ 3.99Å; E202-K204 PolarHBondContact OE1-NZ 3.39Å; E202-K204 VanDerWaalsContact OE1-NZ 3.13Å; E202-K204 WeakPolarHBondContact OE2-CD 3.43Å; E202-K204 VanDerWaalsContact OE2-CE 3.23Å; E202-K204 WeakPolarHBondContact OE2-CE 3.42Å; E202-K204 IonicContact OE2-NZ 2.69Å; E202-K204 PolarHBondContact OE2-NZ 3.05Å; K204-Y206 WeakPolarHBondContact O-CD1 3.47Å; K204-Y206 PolarHBondContact O-N 2.73Å
205P79.4Confident89.8Confident133 Ų13341.2 Ų41.286%0.86422%0.216SC*.  trans-54125.7167.5-24.434.5000110.4
206Y81.8Confident90.4Very high80 Ų8040.2 Ų40.231%0.31421%0.212SC..  trans-122.8162-176.162-92.8000111.1R152 L200 K204 V210R152-Y206 PolarHBondContact NH1-OH 3.33Å; L200-Y206 HydrophobicContact CD2-CD1 3.4Å; L200-Y206 VanDerWaalsContact CD2-CD1 3.4Å; L200-Y206 HydrophobicContact CD2-CD2 3.75Å; L200-Y206 HydrophobicContact CD2-CE1 3.56Å; L200-Y206 HydrophobicContact CD2-CE2 3.9Å; L200-Y206 HydrophobicContact CD2-CG 3.51Å; L200-Y206 HydrophobicContact CG-CD1 4.47Å; L200-Y206 HydrophobicContact CG-CG 4.3Å; K204-Y206 WeakPolarHBondContact O-CD1 3.47Å; K204-Y206 PolarHBondContact O-N 2.73Å; Y206-V210 HydrophobicContact CD2-CG1 4.22Å; Y206-V210 HydrophobicContact CG-CG1 4.33Å
207G87.9Confident90.8Very high31 Ų3138.3 Ų38.332%0.3220%0.2SC..  trans-151.5-149.7-177.700000111.8A209 V210G207-A209 PolarHBondContact O-N 2.77Å; G207-A209 VanDerWaalsContact O-N 3.08Å; G207-V210 VanDerWaalsContact O-CG2 3.3Å; G207-V210 WeakPolarHBondContact O-CG2 3.41Å; G207-V210 PolarHBondContact O-N 2.61Å
208K93.1Very high91.1Very high96 Ų9638.4 Ų38.442%0.41720%0.201SC..THydrogen-bonded Turntrans-53.6-28.9-177.8-68171.3-174.8-175.60114.4H145 V150 V210 D211H145-K208 HydrophobicContact CB-CD 3.85Å; H145-K208 HydrophobicContact CB-CG 4.23Å; H145-K208 PolarHBondContact CE1-O 2.87Å; H145-K208 WeakPolarHBondContact O-CE 3.27Å; H145-K208 PolarHBondContact O-NZ 3.09Å; V150-K208 HydrophobicContact CG2-CG 3.91Å; K208-V210 PolarHBondContact O-N 3.16Å; K208-D211 PolarHBondContact O-N 2.67Å
209A95.8Very high91.3Very high19 Ų1938.4 Ų38.416%0.15720%0.201CC..Hα-helixtrans-61.1-23.9-178.400000113.9G207 D211 V212 W213 P272 R275G207-A209 PolarHBondContact O-N 2.77Å; G207-A209 VanDerWaalsContact O-N 3.08Å; A209-D211 VanDerWaalsContact C-N 3.31Å; A209-D211 PolarHBondContact O-N 3.26Å; A209-V212 PolarHBondContact O-N 3.23Å; A209-W213 PolarHBondContact O-N 2.95Å; A209-W213 VanDerWaalsContact O-N 3.1Å; A209-P272 HydrophobicContact CB-CB 3.77Å; A209-R275 VanDerWaalsContact C-NH1 3.34Å; A209-R275 WeakPolarHBondContact O-CD 3.39Å; A209-R275 PolarHBondContact O-NH1 2.94Å
210V94.1Very high91.6Very high5 Ų538.2 Ų38.23%0.0320%0.2CC..Hα-helixtrans-67.3-34178.4-54.20000112.1V150 A197 E199 L200 Y206 G207 K208 V212 W213 A214V150-V210 HydrophobicContact CG1-CG2 3.76Å; A197-V210 HydrophobicContact CB-CB 4.04Å; A197-V210 HydrophobicContact CB-CG1 4.02Å; E199-V210 HydrophobicContact CG-CG1 4.09Å; E199-V210 WeakPolarHBondContact OE1-CG1 3.19Å; L200-V210 HydrophobicContact CD1-CB 3.95Å; L200-V210 HydrophobicContact CD1-CG1 3.85Å; L200-V210 HydrophobicContact CD1-CG2 4.44Å; L200-V210 HydrophobicContact CG-CG1 3.93Å; Y206-V210 HydrophobicContact CD2-CG1 4.22Å; Y206-V210 HydrophobicContact CG-CG1 4.33Å; G207-V210 VanDerWaalsContact O-CG2 3.3Å; G207-V210 WeakPolarHBondContact O-CG2 3.41Å; G207-V210 PolarHBondContact O-N 2.61Å; K208-V210 PolarHBondContact O-N 3.16Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-W213 PolarHBondContact O-N 3.14Å; V210-A214 PolarHBondContact O-N 3.01Å
211D95.4Very high92.1Very high1 Ų136 Ų361%0.00519%0.188CC..Hα-helixtrans-68.7-36.6176.4-66.9-18.1000110.3V141 H145 V150 H151 R152 L154 K208 A209 A214 L215V141-D211 HydrophobicContact CG1-CB 3.87Å; H145-D211 IonicContact CD2-OD2 2.62Å; H145-D211 IonicContact CE1-OD2 2.78Å; H145-D211 IonicContact NE2-OD2 2.92Å; H145-D211 PolarHBondContact NE2-OD2 3.35Å; V150-D211 WeakPolarHBondContact CA-OD2 3.3Å; V150-D211 WeakPolarHBondContact CG1-OD2 3.49Å; H151-D211 WeakPolarHBondContact CB-OD1 3.3Å; H151-D211 PolarHBondContact N-OD1 3.14Å; H151-D211 PolarHBondContact N-OD2 3.06Å; R152-D211 PolarHBondContact N-OD1 2.66Å; L154-D211 HydrophobicContact CD1-CB 3.69Å; K208-D211 PolarHBondContact O-N 2.67Å; A209-D211 VanDerWaalsContact C-N 3.31Å; A209-D211 PolarHBondContact O-N 3.26Å; D211-A214 PolarHBondContact O-N 2.83Å; D211-L215 WeakPolarHBondContact O-CG 3.48Å; D211-L215 PolarHBondContact O-N 3.23Å
212V98.4Very high92.6Very high1 Ų133.4 Ų33.41%0.00618%0.175CC..Hα-helixtrans-67.9-37.6178.8-173.30000111.4A209 V210 L215 G216 L267 R275 F276A209-V212 PolarHBondContact O-N 3.23Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V212-L215 PolarHBondContact O-N 3.4Å; V212-G216 PolarHBondContact O-N 2.93Å; V212-L267 HydrophobicContact CG1-CB 4.26Å; V212-L267 HydrophobicContact CG1-CD2 4.37Å; V212-L267 HydrophobicContact CG1-CG 3.68Å; V212-R275 HydrophobicContact CG1-CG 4.33Å; V212-F276 VanDerWaalsContact CG1-O 3.3Å; V212-F276 WeakPolarHBondContact CG1-O 3.21Å
213W98.1Very high93.2Very high0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-59-50.4171.4176.6-85.8000111.5V196 A197 P198 A209 V210 L215 G216 V217 F229 I241 A244 L268V196-W213 PolarHBondContact O-NE1 3.4Å; V196-W213 VanDerWaalsContact O-NE1 3.16Å; A197-W213 VanDerWaalsContact CA-CD1 3.48Å; A197-W213 HydrophobicContact CB-CB 3.8Å; A197-W213 HydrophobicContact CB-CD2 4.31Å; A197-W213 HydrophobicContact CB-CG 3.72Å; P198-W213 HydrophobicContact CG-CE3 4.19Å; P198-W213 HydrophobicContact CG-CH2 3.54Å; P198-W213 HydrophobicContact CG-CZ2 3.9Å; P198-W213 HydrophobicContact CG-CZ3 3.7Å; A209-W213 PolarHBondContact O-N 2.95Å; A209-W213 VanDerWaalsContact O-N 3.1Å; V210-W213 PolarHBondContact O-N 3.14Å; W213-L215 VanDerWaalsContact C-N 3.27Å; W213-L215 PolarHBondContact O-N 3.19Å; W213-G216 WeakPolarHBondContact O-CA 3.49Å; W213-G216 PolarHBondContact O-N 2.98Å; W213-V217 PolarHBondContact O-N 3.32Å; W213-F229 HydrophobicContact CH2-CE2 4.07Å; W213-F229 AromaticContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CZ2-CD2 4.33Å; W213-F229 AromaticContact CZ2-CE2 3.34Å; W213-F229 HydrophobicContact CZ2-CE2 3.34Å; W213-F229 AromaticContact CZ2-CZ 3.46Å; W213-F229 HydrophobicContact CZ2-CZ 3.46Å; W213-F229 VanDerWaalsContact CZ2-CZ 3.46Å; W213-I241 HydrophobicContact CZ2-CG2 4.01Å; W213-A244 HydrophobicContact CH2-CB 3.83Å; W213-A244 HydrophobicContact CZ3-CB 4.13Å; W213-L268 HydrophobicContact CD2-CD2 3.88Å; W213-L268 HydrophobicContact CE3-CD2 4.04Å; W213-L268 HydrophobicContact CG-CD2 4.34Å; W213-L268 HydrophobicContact CZ2-CD2 4.36Å; W213-L268 HydrophobicContact CZ3-CB 4.32Å; W213-L268 HydrophobicContact CZ3-CD2 4.35Å; W213-L268 WeakPolarHBondContact CZ3-O 3.47Å; W213-L268 WeakPolarHBondContact O-CD2 3.39Å
214A96.4Very high93.8Very high4 Ų423.1 Ų23.13%0.03313%0.127CC..Hα-helixtrans-59.3-38.3178.400000112.1L154 V210 D211 G216 V217 I218L154-A214 HydrophobicContact CB-CB 3.7Å; V210-A214 PolarHBondContact O-N 3.01Å; D211-A214 PolarHBondContact O-N 2.83Å; A214-G216 VanDerWaalsContact C-N 3.31Å; A214-G216 PolarHBondContact O-N 3.47Å; A214-V217 PolarHBondContact O-N 3.28Å; A214-I218 VanDerWaalsContact O-CG1 3.29Å; A214-I218 WeakPolarHBondContact O-CG1 3.29Å; A214-I218 PolarHBondContact O-N 3.16Å
215L98.1Very high94.3Very high3 Ų318.2 Ų18.22%0.01611%0.106CC..Hα-helixtrans-65.1-32.9172.3-67.8175.3000112.9V137 L138 V141 L154 D211 V212 W213 I218 S219 L267V137-L215 HydrophobicContact CB-CD2 4.24Å; V137-L215 HydrophobicContact CG1-CD2 3.39Å; L138-L215 HydrophobicContact CD2-CD1 3.63Å; L138-L215 HydrophobicContact CG-CD1 4.23Å; V141-L215 HydrophobicContact CB-CD1 4.34Å; V141-L215 HydrophobicContact CG1-CD1 4.44Å; V141-L215 HydrophobicContact CG2-CD1 4.26Å; L154-L215 HydrophobicContact CD1-CD1 4.46Å; L154-L215 HydrophobicContact CD1-CD2 4.09Å; L154-L215 HydrophobicContact CD1-CG 3.99Å; D211-L215 WeakPolarHBondContact O-CG 3.48Å; D211-L215 PolarHBondContact O-N 3.23Å; V212-L215 PolarHBondContact O-N 3.4Å; W213-L215 VanDerWaalsContact C-N 3.27Å; W213-L215 PolarHBondContact O-N 3.19Å; L215-I218 HydrophobicContact CD2-CD1 4.47Å; L215-S219 VanDerWaalsContact O-CB 3.28Å; L215-S219 WeakPolarHBondContact O-CB 3.46Å; L215-S219 PolarHBondContact O-N 2.97Å; L215-S219 PolarHBondContact O-OG 3.38Å; L215-L267 HydrophobicContact CB-CD2 4.09Å
216G98.5Very high94.9Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-62.9-45171.600000111.9V212 W213 A214 S219 Y220V212-G216 PolarHBondContact O-N 2.93Å; W213-G216 WeakPolarHBondContact O-CA 3.49Å; W213-G216 PolarHBondContact O-N 2.98Å; A214-G216 VanDerWaalsContact C-N 3.31Å; A214-G216 PolarHBondContact O-N 3.47Å; G216-S219 PolarHBondContact O-N 2.92Å; G216-Y220 WeakPolarHBondContact O-CB 3.33Å; G216-Y220 PolarHBondContact O-N 2.73Å
217V97.6Very high95.4Very high0 Ų010.4 Ų10.40%06%0.061CC..Hα-helixtrans-62.1-46.6176179.30000111Y195 W213 A214 S219 Y220 I221 P228 F229 L268Y195-V217 HydrophobicContact CD1-CB 3.89Å; Y195-V217 HydrophobicContact CD1-CG1 3.37Å; Y195-V217 HydrophobicContact CE1-CB 4.37Å; Y195-V217 HydrophobicContact CE1-CG1 3.54Å; Y195-V217 HydrophobicContact CG-CG1 4.22Å; W213-V217 PolarHBondContact O-N 3.32Å; A214-V217 PolarHBondContact O-N 3.28Å; V217-S219 PolarHBondContact O-N 3.27Å; V217-Y220 WeakPolarHBondContact O-CB 3.28Å; V217-Y220 PolarHBondContact O-N 3.27Å; V217-I221 HydrophobicContact CG1-CD1 4.05Å; V217-I221 WeakPolarHBondContact O-CG1 3.33Å; V217-I221 PolarHBondContact O-N 2.88Å; V217-I221 VanDerWaalsContact O-N 3.11Å; V217-P228 HydrophobicContact CB-CG 4.33Å; V217-P228 HydrophobicContact CG1-CG 3.97Å; V217-P228 HydrophobicContact CG2-CG 4.19Å; V217-F229 HydrophobicContact CG2-CD2 4.47Å; V217-F229 HydrophobicContact CG2-CE2 4.18Å; V217-L268 HydrophobicContact CG2-CD2 3.81Å
218I96.1Very high95.8Very high3 Ų39.5 Ų9.52%0.0155%0.05CC..Hα-helixtrans-62.2-44.1177.4-67.8162.8000110.7L115 L154 P156 L159 Y195 A214 L215 Y220 I221 L222L115-I218 HydrophobicContact CD2-CG2 4.18Å; L154-I218 HydrophobicContact CB-CD1 4.47Å; P156-I218 HydrophobicContact CG-CG1 4.44Å; L159-I218 HydrophobicContact CD1-CD1 3.98Å; L159-I218 HydrophobicContact CD1-CG2 4.1Å; Y195-I218 HydrophobicContact CD1-CG1 4.21Å; Y195-I218 HydrophobicContact CE1-CG1 4.06Å; A214-I218 VanDerWaalsContact O-CG1 3.29Å; A214-I218 WeakPolarHBondContact O-CG1 3.29Å; A214-I218 PolarHBondContact O-N 3.16Å; L215-I218 HydrophobicContact CD2-CD1 4.47Å; I218-Y220 VanDerWaalsContact C-N 3.31Å; I218-Y220 PolarHBondContact O-N 2.76Å; I218-I221 PolarHBondContact O-N 3.33Å; I218-L222 HydrophobicContact CG2-CD1 3.8Å; I218-L222 HydrophobicContact CG2-CG 4.23Å; I218-L222 WeakPolarHBondContact O-CB 3.23Å; I218-L222 VanDerWaalsContact O-CG 3.25Å; I218-L222 WeakPolarHBondContact O-CG 3.14Å; I218-L222 PolarHBondContact O-N 2.81Å
219S98.3Very high95.8Very high1 Ų15 Ų51%0.0073%0.03CC..Hα-helixtrans-62.4-38.7178.4-570000111.9V134 L215 G216 V217 L222 L223V134-S219 WeakPolarHBondContact CG2-OG 3.29Å; L215-S219 VanDerWaalsContact O-CB 3.28Å; L215-S219 WeakPolarHBondContact O-CB 3.46Å; L215-S219 PolarHBondContact O-N 2.97Å; L215-S219 PolarHBondContact O-OG 3.38Å; G216-S219 PolarHBondContact O-N 2.92Å; V217-S219 PolarHBondContact O-N 3.27Å; S219-L222 PolarHBondContact O-N 3.23Å; S219-L223 WeakPolarHBondContact O-CG 3.18Å; S219-L223 PolarHBondContact O-N 3.1Å
220Y98.1Very high95.4Very high2 Ų211.1 Ų11.11%0.0085%0.05CC..Hα-helixtrans-60-52.4174.3-172.1-74.8000111G216 V217 I218 L222 L223 C224 Y226 P228 Y246 E247 F248 W253 I264G216-Y220 WeakPolarHBondContact O-CB 3.33Å; G216-Y220 PolarHBondContact O-N 2.73Å; V217-Y220 WeakPolarHBondContact O-CB 3.28Å; V217-Y220 PolarHBondContact O-N 3.27Å; I218-Y220 VanDerWaalsContact C-N 3.31Å; I218-Y220 PolarHBondContact O-N 2.76Å; Y220-L222 VanDerWaalsContact C-N 3.29Å; Y220-L222 PolarHBondContact O-N 3.11Å; Y220-L223 PolarHBondContact O-N 3.44Å; Y220-L223 VanDerWaalsContact O-N 3.08Å; Y220-C224 WeakPolarHBondContact CD1-SG 3.45Å; Y220-C224 WeakPolarHBondContact CE1-SG 3.49Å; Y220-C224 PolarHBondContact O-N 3.17Å; Y220-C224 PolarHBondContact O-SG 2.92Å; Y220-Y226 VanDerWaalsContact CD1-O 3.27Å; Y220-Y226 WeakPolarHBondContact CD1-O 3.4Å; Y220-Y226 AromaticContact CE1-CD2 3.94Å; Y220-Y226 HydrophobicContact CE1-CD2 3.94Å; Y220-Y226 AromaticContact CE1-CE2 3.67Å; Y220-Y226 HydrophobicContact CE1-CE2 3.67Å; Y220-Y226 WeakPolarHBondContact CE1-O 3.22Å; Y220-Y226 AromaticContact CZ-CE2 3.95Å; Y220-Y226 VanDerWaalsContact OH-CE2 3.25Å; Y220-Y226 WeakPolarHBondContact OH-CE2 3.41Å; Y220-Y226 PolarHBondContact OH-OH 3.25Å; Y220-P228 HydrophobicContact CD1-CB 3.82Å; Y220-P228 HydrophobicContact CD1-CG 4.15Å; Y220-P228 HydrophobicContact CD2-CB 3.75Å; Y220-P228 HydrophobicContact CD2-CG 4.45Å; Y220-P228 HydrophobicContact CE1-CB 3.99Å; Y220-P228 HydrophobicContact CE2-CB 3.92Å; Y220-P228 HydrophobicContact CG-CB 3.71Å; Y220-P228 HydrophobicContact CG-CG 4.01Å; Y220-Y246 HydrophobicContact CD2-CD2 4.36Å; Y220-Y246 HydrophobicContact CE2-CD2 4.02Å; Y220-E247 WeakPolarHBondContact CE2-O 3.23Å; Y220-E247 PolarHBondContact OH-O 3.33Å; Y220-F248 HydrophobicContact CD2-CD1 4.36Å; Y220-F248 AromaticContact CD2-CE1 3.98Å; Y220-F248 HydrophobicContact CD2-CE1 3.98Å; Y220-F248 AromaticContact CE2-CD1 3.81Å; Y220-F248 HydrophobicContact CE2-CD1 3.81Å; Y220-F248 AromaticContact CE2-CE1 3.85Å; Y220-F248 HydrophobicContact CE2-CE1 3.85Å; Y220-W253 AromaticContact CD1-CZ2 3.79Å; Y220-W253 HydrophobicContact CD1-CZ2 3.79Å; Y220-W253 AromaticContact CD2-CH2 3.9Å; Y220-W253 HydrophobicContact CD2-CH2 3.9Å; Y220-W253 AromaticContact CD2-CZ2 3.48Å; Y220-W253 HydrophobicContact CD2-CZ2 3.48Å; Y220-W253 VanDerWaalsContact CD2-CZ2 3.48Å; Y220-W253 AromaticContact CE1-CZ2 3.73Å; Y220-W253 HydrophobicContact CE1-CZ2 3.73Å; Y220-W253 AromaticContact CE1-NE1 3.98Å; Y220-W253 AromaticContact CE2-CE2 3.85Å; Y220-W253 HydrophobicContact CE2-CH2 4.18Å; Y220-W253 AromaticContact CE2-CZ2 3.41Å; Y220-W253 HydrophobicContact CE2-CZ2 3.41Å; Y220-W253 VanDerWaalsContact CE2-CZ2 3.41Å; Y220-W253 HydrophobicContact CG-CH2 4.14Å; Y220-W253 AromaticContact CG-CZ2 3.66Å; Y220-W253 HydrophobicContact CG-CZ2 3.66Å; Y220-W253 AromaticContact CZ-CE2 3.73Å; Y220-W253 AromaticContact CZ-CZ2 3.52Å; Y220-W253 AromaticContact CZ-NE1 3.5Å; Y220-W253 PolarHBondContact OH-NE1 3.42Å; Y220-I264 HydrophobicContact CD2-CD1 4.45Å; Y220-I264 HydrophobicContact CD2-CG2 4.19Å
221I95.3Very high95Very high0 Ų013.6 Ų13.60%06%0.063CC..Hα-helixtrans-63.2-37.5-179.6-58.9158.9000111.2F116 Y195 V217 I218 L223 C224 G225 Y226 P227 F309F116-I221 HydrophobicContact CE1-CB 4.46Å; F116-I221 HydrophobicContact CE1-CG2 3.74Å; F116-I221 HydrophobicContact CE2-CG2 3.95Å; F116-I221 HydrophobicContact CZ-CB 3.92Å; F116-I221 HydrophobicContact CZ-CG2 3.24Å; Y195-I221 HydrophobicContact CE1-CD1 3.69Å; Y195-I221 WeakPolarHBondContact OH-CD1 3.4Å; V217-I221 HydrophobicContact CG1-CD1 4.05Å; V217-I221 WeakPolarHBondContact O-CG1 3.33Å; V217-I221 PolarHBondContact O-N 2.88Å; V217-I221 VanDerWaalsContact O-N 3.11Å; I218-I221 PolarHBondContact O-N 3.33Å; I221-L223 PolarHBondContact O-N 3.32Å; I221-L223 VanDerWaalsContact O-N 3.13Å; I221-C224 PolarHBondContact O-N 2.92Å; I221-G225 WeakPolarHBondContact O-CA 3.26Å; I221-G225 PolarHBondContact O-N 3.02Å; I221-Y226 WeakPolarHBondContact CG1-O 3.48Å; I221-P227 HydrophobicContact CD1-CB 4.36Å; I221-P227 HydrophobicContact CG1-CB 4.37Å; I221-F309 HydrophobicContact CD1-CZ 4.14Å; I221-F309 HydrophobicContact CG1-CZ 4.42Å; I221-F309 HydrophobicContact CG2-CE2 3.99Å; I221-F309 HydrophobicContact CG2-CZ 3.77Å
222L95.7Very high94.5Very high1 Ų122.1 Ų22.11%0.00510%0.103CC..Hα-helixtrans-62.2-18.3177.8-77.2172.2000113.8L115 F116 I119 Y125 A130 L133 V134 I218 S219 Y220L115-L222 HydrophobicContact CD1-CD2 4.08Å; L115-L222 HydrophobicContact CD2-CD2 4.05Å; L115-L222 HydrophobicContact CG-CD2 4.14Å; F116-L222 HydrophobicContact CD1-CD2 4.44Å; F116-L222 HydrophobicContact CE1-CD2 3.91Å; F116-L222 HydrophobicContact CE1-CG 4.41Å; I119-L222 HydrophobicContact CD1-CD2 3.33Å; Y125-L222 WeakPolarHBondContact CE1-O 3.37Å; Y125-L222 WeakPolarHBondContact OH-CD2 3.29Å; Y125-L222 PolarHBondContact OH-O 3.43Å; A130-L222 HydrophobicContact CB-CB 4.39Å; L133-L222 HydrophobicContact CD2-CD1 3.93Å; V134-L222 HydrophobicContact CG2-CD1 3.79Å; I218-L222 HydrophobicContact CG2-CD1 3.8Å; I218-L222 HydrophobicContact CG2-CG 4.23Å; I218-L222 WeakPolarHBondContact O-CB 3.23Å; I218-L222 VanDerWaalsContact O-CG 3.25Å; I218-L222 WeakPolarHBondContact O-CG 3.14Å; I218-L222 PolarHBondContact O-N 2.81Å; S219-L222 PolarHBondContact O-N 3.23Å; Y220-L222 VanDerWaalsContact C-N 3.29Å; Y220-L222 PolarHBondContact O-N 3.11Å
223L97.2Very high93.9Very high1 Ų124.3 Ų24.31%0.00512%0.118CC..Hα-helixtrans-105.2-25.3-177.3-67.1177.1000114E127 A130 S219 Y220 I221 W253 I256 A260 I264 W286 I297 V301E127-L223 HydrophobicContact CB-CD2 4.35Å; E127-L223 HydrophobicContact CG-CD2 3.82Å; A130-L223 HydrophobicContact CB-CD2 3.68Å; S219-L223 WeakPolarHBondContact O-CG 3.18Å; S219-L223 PolarHBondContact O-N 3.1Å; Y220-L223 PolarHBondContact O-N 3.44Å; Y220-L223 VanDerWaalsContact O-N 3.08Å; I221-L223 PolarHBondContact O-N 3.32Å; I221-L223 VanDerWaalsContact O-N 3.13Å; L223-W253 HydrophobicContact CB-CH2 3.87Å; L223-W253 HydrophobicContact CB-CZ3 4.17Å; L223-W253 HydrophobicContact CD1-CH2 4.17Å; L223-W253 HydrophobicContact CD1-CZ3 4.09Å; L223-I256 HydrophobicContact CB-CD1 4.36Å; L223-I256 HydrophobicContact CD1-CG2 4.09Å; L223-A260 HydrophobicContact CD1-CB 3.68Å; L223-I264 HydrophobicContact CD1-CD1 3.94Å; L223-W286 HydrophobicContact CD1-CH2 4.45Å; L223-W286 HydrophobicContact CD1-CZ2 4.08Å; L223-W286 HydrophobicContact CD2-CZ2 4.1Å; L223-I297 HydrophobicContact CD2-CD1 4.24Å; L223-V301 VanDerWaalsContact O-CG2 3.26Å; L223-V301 WeakPolarHBondContact O-CG2 3.43Å
224C94.3Very high93.2Very high2 Ų228.8 Ų28.81%0.01414%0.143CC..Hα-helixtrans-126.9-12.8-178.6700000114.8Y220 I221 Y226 F252 W253 Q304Y220-C224 WeakPolarHBondContact CD1-SG 3.45Å; Y220-C224 WeakPolarHBondContact CE1-SG 3.49Å; Y220-C224 PolarHBondContact O-N 3.17Å; Y220-C224 PolarHBondContact O-SG 2.92Å; I221-C224 PolarHBondContact O-N 2.92Å; C224-Y226 HydrophobicContact CB-CD1 3.87Å; C224-Y226 HydrophobicContact CB-CE1 3.56Å; C224-Y226 WeakPolarHBondContact SG-CD1 3.47Å; C224-Y226 WeakPolarHBondContact SG-CE1 3.38Å; C224-Y226 PolarHBondContact SG-O 2.98Å; C224-Y226 VanDerWaalsContact SG-O 3.37Å; C224-F252 HydrophobicContact CB-CB 4.35Å; C224-W253 HydrophobicContact CB-CZ2 3.81Å; C224-Q304 VanDerWaalsContact O-CB 3.28Å; C224-Q304 WeakPolarHBondContact O-CB 3.44Å; C224-Q304 WeakPolarHBondContact O-CG 3.46Å
225G91.7Very high92.7Very high0 Ų032.4 Ų32.40%017%0.166CC..SBendtrans799.2177.800000116.2I221 Q304 I305 F309I221-G225 WeakPolarHBondContact O-CA 3.26Å; I221-G225 PolarHBondContact O-N 3.02Å; G225-Q304 CarbonylContact O-C 3.15Å; G225-Q304 WeakPolarHBondContact O-CB 3.28Å; G225-I305 PolarHBondContact O-N 2.61Å; G225-F309 WeakPolarHBondContact O-CE2 3.46Å
226Y90.8Very high92.4Very high26 Ų2636.6 Ų36.610%0.10219%0.185CC..SBendtrans-134.5153.9174.866-93.1000111.5Y220 I221 C224 D249 F252 W253 Q304 N308Y220-Y226 VanDerWaalsContact CD1-O 3.27Å; Y220-Y226 WeakPolarHBondContact CD1-O 3.4Å; Y220-Y226 AromaticContact CE1-CD2 3.94Å; Y220-Y226 HydrophobicContact CE1-CD2 3.94Å; Y220-Y226 AromaticContact CE1-CE2 3.67Å; Y220-Y226 HydrophobicContact CE1-CE2 3.67Å; Y220-Y226 WeakPolarHBondContact CE1-O 3.22Å; Y220-Y226 AromaticContact CZ-CE2 3.95Å; Y220-Y226 VanDerWaalsContact OH-CE2 3.25Å; Y220-Y226 WeakPolarHBondContact OH-CE2 3.41Å; Y220-Y226 PolarHBondContact OH-OH 3.25Å; I221-Y226 WeakPolarHBondContact CG1-O 3.48Å; C224-Y226 HydrophobicContact CB-CD1 3.87Å; C224-Y226 HydrophobicContact CB-CE1 3.56Å; C224-Y226 WeakPolarHBondContact SG-CD1 3.47Å; C224-Y226 WeakPolarHBondContact SG-CE1 3.38Å; C224-Y226 PolarHBondContact SG-O 2.98Å; C224-Y226 VanDerWaalsContact SG-O 3.37Å; Y226-D249 WeakPolarHBondContact OH-CB 3.44Å; Y226-D249 PolarHBondContact OH-OD2 3.02Å; Y226-F252 HydrophobicContact CE1-CB 3.83Å; Y226-F252 AromaticContact CE1-CD2 3.6Å; Y226-F252 HydrophobicContact CE1-CD2 3.6Å; Y226-F252 HydrophobicContact CE1-CE2 4.35Å; Y226-F252 AromaticContact CE1-CG 3.78Å; Y226-F252 HydrophobicContact CE1-CG 3.78Å; Y226-W253 AromaticContact CZ-NE1 3.76Å; Y226-W253 VanDerWaalsContact OH-CD1 3.3Å; Y226-W253 PolarHBondContact OH-NE1 2.98Å; Y226-Q304 HydrophobicContact CD1-CG 4.36Å; Y226-N308 WeakPolarHBondContact CB-ND2 3.37Å
227P92.9Very high91.9Very high23 Ų2337.2 Ų37.215%0.14919%0.188CC..  trans-72.2145.9-17929.5-35.2000112.4I221 F229 Y230I221-P227 HydrophobicContact CD1-CB 4.36Å; I221-P227 HydrophobicContact CG1-CB 4.37Å; P227-F229 PolarHBondContact O-N 2.85Å; P227-Y230 HydrophobicContact CG-CD2 4.44Å
228P95.4Very high91.5Very high11 Ų1139.9 Ų39.97%0.07120%0.2CC..SBendtrans-67.7-22.2177.725.9-33.1000113.7V217 Y220 Y246 L268V217-P228 HydrophobicContact CB-CG 4.33Å; V217-P228 HydrophobicContact CG1-CG 3.97Å; V217-P228 HydrophobicContact CG2-CG 4.19Å; Y220-P228 HydrophobicContact CD1-CB 3.82Å; Y220-P228 HydrophobicContact CD1-CG 4.15Å; Y220-P228 HydrophobicContact CD2-CB 3.75Å; Y220-P228 HydrophobicContact CD2-CG 4.45Å; Y220-P228 HydrophobicContact CE1-CB 3.99Å; Y220-P228 HydrophobicContact CE2-CB 3.92Å; Y220-P228 HydrophobicContact CG-CB 3.71Å; Y220-P228 HydrophobicContact CG-CG 4.01Å; P228-Y246 HydrophobicContact CB-CG 4.31Å; P228-Y246 WeakPolarHBondContact O-CB 3.37Å; P228-L268 HydrophobicContact CB-CD1 4.32Å; P228-L268 HydrophobicContact CG-CD1 4.3Å
229F93.3Very high91.3Very high3 Ų342.3 Ų42.31%0.01321%0.213CC..SBendtrans-125.2120.6178.5-47.8-69.3000108.4W213 V217 P227 L237 Q240 I241 Y246 L268W213-F229 HydrophobicContact CH2-CE2 4.07Å; W213-F229 AromaticContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CZ2-CD2 4.33Å; W213-F229 AromaticContact CZ2-CE2 3.34Å; W213-F229 HydrophobicContact CZ2-CE2 3.34Å; W213-F229 AromaticContact CZ2-CZ 3.46Å; W213-F229 HydrophobicContact CZ2-CZ 3.46Å; W213-F229 VanDerWaalsContact CZ2-CZ 3.46Å; V217-F229 HydrophobicContact CG2-CD2 4.47Å; V217-F229 HydrophobicContact CG2-CE2 4.18Å; P227-F229 PolarHBondContact O-N 2.85Å; F229-L237 HydrophobicContact CB-CD1 3.67Å; F229-Q240 HydrophobicContact CD1-CB 4.05Å; F229-I241 HydrophobicContact CB-CG1 3.84Å; F229-I241 HydrophobicContact CD1-CG1 4.26Å; F229-I241 HydrophobicContact CD2-CG1 3.92Å; F229-I241 HydrophobicContact CG-CG1 3.73Å; F229-Y246 AromaticContact CE1-CD1 3.87Å; F229-Y246 HydrophobicContact CE1-CD1 3.87Å; F229-Y246 HydrophobicContact CE1-CG 4.3Å; F229-Y246 AromaticContact CZ-CD1 3.82Å; F229-Y246 HydrophobicContact CZ-CD1 3.82Å; F229-Y246 HydrophobicContact CZ-CG 4.42Å; F229-L268 HydrophobicContact CE2-CD2 4.45Å; F229-L268 HydrophobicContact CZ-CD1 4.49Å
230Y86.9Confident91.1Very high146 Ų14644.6 Ų44.657%0.57322%0.224SC*.  trans-156132.7178.6-176.1-99.4000109.7P227 Q240P227-Y230 HydrophobicContact CG-CD2 4.44Å; Y230-Q240 VanDerWaalsContact N-OE1 3.09Å; Y230-Q240 PolarHBondContact O-NE2 3.31Å; Y230-Q240 PolarHBondContact O-OE1 3.47Å
231D87.1Confident90.9Very high57 Ų5744.5 Ų44.531%0.30522%0.223SC..  trans-152.5152.7168.8-157.9-73.4000108.3S233 E236 L237D231-S233 PolarHBondContact O-N 2.75Å; D231-S233 VanDerWaalsContact OD1-CB 3.32Å; D231-S233 WeakPolarHBondContact OD1-CB 3.28Å; D231-S233 PolarHBondContact OD1-N 3.45Å; D231-E236 HydrophobicContact CB-CB 4.04Å; D231-L237 HydrophobicContact CB-CB 4.11Å
232E83.4Confident90.8Very high180 Ų18046.6 Ų46.684%0.84123%0.234SC*.SBendtrans-70.2-22.8172.7-63.5-171.6164.800111.5
233S85.8Confident90.8Very high47 Ų4755 Ų5533%0.32927%0.266SS..SBendtrans-98.4114.6177.8179.80000110.7D231 P235 E236 L237D231-S233 PolarHBondContact O-N 2.75Å; D231-S233 VanDerWaalsContact OD1-CB 3.32Å; D231-S233 WeakPolarHBondContact OD1-CB 3.28Å; D231-S233 PolarHBondContact OD1-N 3.45Å; S233-P235 VanDerWaalsContact C-N 3.31Å; S233-P235 WeakPolarHBondContact OG-CD 3.19Å; S233-E236 PolarHBondContact O-N 3.16Å; S233-L237 PolarHBondContact O-N 3.21Å
234D84.3Confident90.8Very high95 Ų9555.9 Ų55.951%0.50827%0.274SS..Hα-helixtrans-49.2-45174-75.4-17000112.9E236 L237 F238D234-E236 VanDerWaalsContact C-N 3.31Å; D234-E236 PolarHBondContact O-N 2.79Å; D234-L237 PolarHBondContact O-N 2.96Å; D234-F238 HydrophobicContact CB-CE2 4.06Å; D234-F238 HydrophobicContact CB-CZ 4.48Å; D234-F238 WeakPolarHBondContact O-CB 3.5Å; D234-F238 WeakPolarHBondContact O-CD2 3.25Å; D234-F238 WeakPolarHBondContact O-CG 3.44Å; D234-F238 PolarHBondContact O-N 3.36Å
235P87Confident90.9Very high80 Ų8058.9 Ų58.952%0.51930%0.295SS..Hα-helixtrans-54.6-40.5173.1-28.833.7000114.9S233 N239S233-P235 VanDerWaalsContact C-N 3.31Å; S233-P235 WeakPolarHBondContact OG-CD 3.19Å; P235-N239 VanDerWaalsContact O-CG 3.31Å; P235-N239 PolarHBondContact O-N 3.17Å; P235-N239 PolarHBondContact O-ND2 3.02Å
236E90.5Very high91.1Very high91 Ų9160.9 Ų60.943%0.42530%0.302SS..Hα-helixtrans-78.7-36.8-178.5-65.9-55167.800112.3D231 S233 D234 F238 N239 Q240D231-E236 HydrophobicContact CB-CB 4.04Å; S233-E236 PolarHBondContact O-N 3.16Å; D234-E236 VanDerWaalsContact C-N 3.31Å; D234-E236 PolarHBondContact O-N 2.79Å; E236-F238 VanDerWaalsContact C-N 3.29Å; E236-F238 PolarHBondContact O-N 3.21Å; E236-N239 WeakPolarHBondContact O-CB 3.47Å; E236-N239 PolarHBondContact O-N 2.98Å; E236-N239 VanDerWaalsContact O-N 3.12Å; E236-N239 PolarHBondContact OE2-ND2 2.92Å; E236-Q240 WeakPolarHBondContact O-CG 3.25Å; E236-Q240 PolarHBondContact O-N 3.3Å
237L87.6Confident91.4Very high13 Ų1366.1 Ų66.17%0.06833%0.328CS..Hα-helixtrans-54.9-47.8167.9173.559.9000111P193 F229 D231 S233 D234 N239 Q240 I241P193-L237 HydrophobicContact CB-CD2 4Å; P193-L237 HydrophobicContact CG-CD2 3.55Å; F229-L237 HydrophobicContact CB-CD1 3.67Å; D231-L237 HydrophobicContact CB-CB 4.11Å; S233-L237 PolarHBondContact O-N 3.21Å; D234-L237 PolarHBondContact O-N 2.96Å; L237-N239 VanDerWaalsContact C-N 3.35Å; L237-N239 PolarHBondContact O-N 3.23Å; L237-Q240 PolarHBondContact O-N 3.38Å; L237-I241 HydrophobicContact CD1-CD1 4.03Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 HydrophobicContact CG-CD1 4.06Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.38Å
238F89.2Confident91.7Very high55 Ų5566.9 Ų66.924%0.24133%0.329CS..Hα-helixtrans-63.6-39.7176.2-63.3-35.3000112.1P193 L201 D234 E236 Q240 I241 L242P193-F238 HydrophobicContact CB-CE1 3.63Å; P193-F238 HydrophobicContact CB-CZ 4.35Å; L201-F238 HydrophobicContact CD1-CB 4.34Å; L201-F238 HydrophobicContact CD1-CD1 3.79Å; L201-F238 HydrophobicContact CD1-CG 4.38Å; L201-F238 HydrophobicContact CD2-CD1 4.05Å; L201-F238 HydrophobicContact CD2-CE1 4.08Å; D234-F238 HydrophobicContact CB-CE2 4.06Å; D234-F238 HydrophobicContact CB-CZ 4.48Å; D234-F238 WeakPolarHBondContact O-CB 3.5Å; D234-F238 WeakPolarHBondContact O-CD2 3.25Å; D234-F238 WeakPolarHBondContact O-CG 3.44Å; D234-F238 PolarHBondContact O-N 3.36Å; E236-F238 VanDerWaalsContact C-N 3.29Å; E236-F238 PolarHBondContact O-N 3.21Å; F238-Q240 PolarHBondContact O-N 3.21Å; F238-I241 HydrophobicContact CD1-CD1 4.45Å; F238-I241 PolarHBondContact O-N 3.32Å; F238-L242 VanDerWaalsContact O-CB 3.28Å; F238-L242 WeakPolarHBondContact O-CB 3.27Å; F238-L242 WeakPolarHBondContact O-CG 3.47Å; F238-L242 PolarHBondContact O-N 2.84Å
239N92.4Very high91.6Very high55 Ų5569.3 Ų69.329%0.29434%0.341SS..Hα-helixtrans-61-42.3175-78.8-30.7000112.4P235 E236 L237 L242 R243P235-N239 VanDerWaalsContact O-CG 3.31Å; P235-N239 PolarHBondContact O-N 3.17Å; P235-N239 PolarHBondContact O-ND2 3.02Å; E236-N239 WeakPolarHBondContact O-CB 3.47Å; E236-N239 PolarHBondContact O-N 2.98Å; E236-N239 VanDerWaalsContact O-N 3.12Å; E236-N239 PolarHBondContact OE2-ND2 2.92Å; L237-N239 VanDerWaalsContact C-N 3.35Å; L237-N239 PolarHBondContact O-N 3.23Å; N239-L242 PolarHBondContact O-N 2.98Å; N239-R243 WeakPolarHBondContact O-CB 3.42Å; N239-R243 WeakPolarHBondContact O-CG 3.41Å; N239-R243 PolarHBondContact O-N 3.29Å; N239-R243 VanDerWaalsContact O-N 3.08Å
240Q94Very high91.6Very high48 Ų4873.2 Ų73.222%0.22437%0.369CS..Hα-helixtrans-59.8-49.7175.5-69.6174.56.700110.6F229 Y230 E236 L237 F238 R243 A244 S245F229-Q240 HydrophobicContact CD1-CB 4.05Å; Y230-Q240 VanDerWaalsContact N-OE1 3.09Å; Y230-Q240 PolarHBondContact O-NE2 3.31Å; Y230-Q240 PolarHBondContact O-OE1 3.47Å; E236-Q240 WeakPolarHBondContact O-CG 3.25Å; E236-Q240 PolarHBondContact O-N 3.3Å; L237-Q240 PolarHBondContact O-N 3.38Å; F238-Q240 PolarHBondContact O-N 3.21Å; Q240-R243 PolarHBondContact O-N 3.05Å; Q240-A244 PolarHBondContact O-N 3.29Å; Q240-S245 PolarHBondContact O-N 2.55Å
241I93.4Very high91.9Very high0 Ų070.4 Ų70.40%037%0.369CS..Hα-helixtrans-59.4-51.2177.8-65.5165000110.5P193 V196 P198 L201 W213 F229 L237 F238 R243 A244P193-I241 WeakPolarHBondContact O-CD1 3.25Å; V196-I241 WeakPolarHBondContact O-CG2 3.45Å; P198-I241 HydrophobicContact CG-CG2 4.28Å; P198-I241 WeakPolarHBondContact CG-O 3.37Å; L201-I241 HydrophobicContact CD1-CB 3.94Å; L201-I241 HydrophobicContact CD1-CD1 4.21Å; L201-I241 HydrophobicContact CD1-CG2 3.57Å; W213-I241 HydrophobicContact CZ2-CG2 4.01Å; F229-I241 HydrophobicContact CB-CG1 3.84Å; F229-I241 HydrophobicContact CD1-CG1 4.26Å; F229-I241 HydrophobicContact CD2-CG1 3.92Å; F229-I241 HydrophobicContact CG-CG1 3.73Å; L237-I241 HydrophobicContact CD1-CD1 4.03Å; L237-I241 HydrophobicContact CD1-CG1 4.41Å; L237-I241 HydrophobicContact CG-CD1 4.06Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.38Å; F238-I241 HydrophobicContact CD1-CD1 4.45Å; F238-I241 PolarHBondContact O-N 3.32Å; I241-R243 PolarHBondContact O-N 3.26Å; I241-R243 VanDerWaalsContact O-N 3.15Å; I241-A244 PolarHBondContact O-N 2.71Å
242L92.9Very high92.2Very high44 Ų4470.8 Ų70.823%0.2337%0.368CS..Hα-helixtrans-59.2-29.5-178-74.2172.1000113.2L201 E202 F238 N239 R270L201-L242 HydrophobicContact CB-CD2 3.96Å; L201-L242 HydrophobicContact CD1-CG 4.41Å; E202-L242 HydrophobicContact CG-CD2 3.39Å; F238-L242 VanDerWaalsContact O-CB 3.28Å; F238-L242 WeakPolarHBondContact O-CB 3.27Å; F238-L242 WeakPolarHBondContact O-CG 3.47Å; F238-L242 PolarHBondContact O-N 2.84Å; N239-L242 PolarHBondContact O-N 2.98Å; L242-R270 WeakPolarHBondContact O-CD 3.43Å; L242-R270 PolarHBondContact O-NE 3.05Å
243R96.1Very high92.8Very high178 Ų17862.2 Ų62.267%0.67233%0.328SS*.Hα-helixtrans-92.7-6.9176.8-67178.2-177.3174.44.6113.4N239 Q240 I241 S245N239-R243 WeakPolarHBondContact O-CB 3.42Å; N239-R243 WeakPolarHBondContact O-CG 3.41Å; N239-R243 PolarHBondContact O-N 3.29Å; N239-R243 VanDerWaalsContact O-N 3.08Å; Q240-R243 PolarHBondContact O-N 3.05Å; I241-R243 PolarHBondContact O-N 3.26Å; I241-R243 VanDerWaalsContact O-N 3.15Å; R243-S245 PolarHBondContact O-N 3.21Å
244A96.8Very high93.2Very high20 Ų2064.4 Ų64.417%0.16534%0.335CS..THydrogen-bonded Turntrans49.343.2-165.500000111.8W213 Q240 I241 Y246 R270W213-A244 HydrophobicContact CH2-CB 3.83Å; W213-A244 HydrophobicContact CZ3-CB 4.13Å; Q240-A244 PolarHBondContact O-N 3.29Å; I241-A244 PolarHBondContact O-N 2.71Å; A244-Y246 WeakPolarHBondContact O-CD1 3.24Å; A244-Y246 PolarHBondContact O-N 3Å; A244-R270 HydrophobicContact CB-CB 3.9Å
245S96.9Very high93.6Very high65 Ų6563.3 Ų63.346%0.45533%0.33SS..  trans-89.497.2-178.2-170.10000109.6Q240 R243Q240-S245 PolarHBondContact O-N 2.55Å; R243-S245 PolarHBondContact O-N 3.21Å
246Y97.3Very high94.1Very high42 Ų4259.9 Ų59.917%0.16531%0.307CS..  trans-139.2157.2172.464.4-84000108.7Y220 P228 F229 A244 F248 I264 R265 L268Y220-Y246 HydrophobicContact CD2-CD2 4.36Å; Y220-Y246 HydrophobicContact CE2-CD2 4.02Å; P228-Y246 HydrophobicContact CB-CG 4.31Å; P228-Y246 WeakPolarHBondContact O-CB 3.37Å; F229-Y246 AromaticContact CE1-CD1 3.87Å; F229-Y246 HydrophobicContact CE1-CD1 3.87Å; F229-Y246 HydrophobicContact CE1-CG 4.3Å; F229-Y246 AromaticContact CZ-CD1 3.82Å; F229-Y246 HydrophobicContact CZ-CD1 3.82Å; F229-Y246 HydrophobicContact CZ-CG 4.42Å; A244-Y246 WeakPolarHBondContact O-CD1 3.24Å; A244-Y246 PolarHBondContact O-N 3Å; Y246-F248 HydrophobicContact CD2-CZ 4.47Å; Y246-F248 HydrophobicContact CE2-CE1 4.2Å; Y246-F248 HydrophobicContact CE2-CE2 4.05Å; Y246-F248 AromaticContact CE2-CZ 3.71Å; Y246-F248 HydrophobicContact CE2-CZ 3.71Å; Y246-I264 HydrophobicContact CE2-CG2 4.2Å; Y246-R265 WeakPolarHBondContact OH-CA 3.48Å; Y246-L268 HydrophobicContact CD1-CB 4.43Å; Y246-L268 HydrophobicContact CD1-CD1 4.09Å; Y246-L268 HydrophobicContact CD2-CD1 4.34Å; Y246-L268 HydrophobicContact CE1-CB 3.6Å; Y246-L268 HydrophobicContact CE1-CD1 3.89Å; Y246-L268 HydrophobicContact CE1-CG 4.41Å; Y246-L268 HydrophobicContact CE2-CD1 4.15Å; Y246-L268 HydrophobicContact CG-CD1 4.32Å
247E97Very high94.5Very high135 Ų13555.7 Ų55.763%0.63129%0.288SS*.  trans-127165.9-180-63.7-169.9-177.700110.6Y220Y220-E247 WeakPolarHBondContact CE2-O 3.23Å; Y220-E247 PolarHBondContact OH-O 3.33Å
248F97.9Very high95Very high39 Ų3960.2 Ų60.217%0.17131%0.308CS..  trans-108.378.7173.8-63.5-65.4000107.5Y220 Y246 W253 K261 I264 R265Y220-F248 HydrophobicContact CD2-CD1 4.36Å; Y220-F248 AromaticContact CD2-CE1 3.98Å; Y220-F248 HydrophobicContact CD2-CE1 3.98Å; Y220-F248 AromaticContact CE2-CD1 3.81Å; Y220-F248 HydrophobicContact CE2-CD1 3.81Å; Y220-F248 AromaticContact CE2-CE1 3.85Å; Y220-F248 HydrophobicContact CE2-CE1 3.85Å; Y246-F248 HydrophobicContact CD2-CZ 4.47Å; Y246-F248 HydrophobicContact CE2-CE1 4.2Å; Y246-F248 HydrophobicContact CE2-CE2 4.05Å; Y246-F248 AromaticContact CE2-CZ 3.71Å; Y246-F248 HydrophobicContact CE2-CZ 3.71Å; F248-W253 VanDerWaalsContact C-CD1 3.49Å; F248-W253 HydrophobicContact CB-CB 3.82Å; F248-W253 HydrophobicContact CB-CD2 3.97Å; F248-W253 HydrophobicContact CB-CE3 4.35Å; F248-W253 HydrophobicContact CB-CG 3.71Å; F248-W253 AromaticContact CD1-CD2 3.48Å; F248-W253 HydrophobicContact CD1-CD2 3.48Å; F248-W253 VanDerWaalsContact CD1-CD2 3.48Å; F248-W253 AromaticContact CD1-CE2 3.65Å; F248-W253 AromaticContact CD1-CE3 3.44Å; F248-W253 HydrophobicContact CD1-CE3 3.44Å; F248-W253 VanDerWaalsContact CD1-CE3 3.44Å; F248-W253 HydrophobicContact CD1-CG 4.15Å; F248-W253 AromaticContact CD1-CH2 3.84Å; F248-W253 HydrophobicContact CD1-CH2 3.84Å; F248-W253 AromaticContact CD1-CZ2 3.85Å; F248-W253 HydrophobicContact CD1-CZ2 3.85Å; F248-W253 AromaticContact CD1-CZ3 3.61Å; F248-W253 HydrophobicContact CD1-CZ3 3.61Å; F248-W253 HydrophobicContact CE1-CD2 4.4Å; F248-W253 HydrophobicContact CE1-CE3 4.05Å; F248-W253 AromaticContact CE1-CH2 3.82Å; F248-W253 HydrophobicContact CE1-CH2 3.82Å; F248-W253 HydrophobicContact CE1-CZ2 4.17Å; F248-W253 AromaticContact CE1-CZ3 3.73Å; F248-W253 HydrophobicContact CE1-CZ3 3.73Å; F248-W253 HydrophobicContact CG-CD2 4.16Å; F248-W253 HydrophobicContact CG-CE3 4.21Å; F248-W253 HydrophobicContact CG-CG 4.42Å; F248-K261 HydrophobicContact CB-CD 4.16Å; F248-K261 HydrophobicContact CD1-CD 4.38Å; F248-K261 HydrophobicContact CD1-CG 4.01Å; F248-K261 HydrophobicContact CD2-CB 4.17Å; F248-K261 HydrophobicContact CD2-CD 4.05Å; F248-K261 HydrophobicContact CD2-CG 4.17Å; F248-K261 HydrophobicContact CE1-CB 4.17Å; F248-K261 HydrophobicContact CE1-CG 4.05Å; F248-K261 HydrophobicContact CE2-CB 3.81Å; F248-K261 HydrophobicContact CE2-CG 4.24Å; F248-K261 HydrophobicContact CG-CD 3.95Å; F248-K261 HydrophobicContact CG-CG 4.05Å; F248-K261 HydrophobicContact CZ-CB 3.78Å; F248-K261 HydrophobicContact CZ-CG 4.15Å; F248-I264 HydrophobicContact CE1-CB 4.34Å; F248-I264 HydrophobicContact CE1-CD1 4.25Å; F248-I264 HydrophobicContact CE1-CG2 4.06Å; F248-I264 HydrophobicContact CZ-CB 4.18Å; F248-I264 HydrophobicContact CZ-CG2 3.98Å; F248-R265 HydrophobicContact CE2-CG 4.04Å; F248-R265 HydrophobicContact CZ-CG 4.26Å
249D93.9Very high95.4Very high62 Ų6258.7 Ų58.733%0.33231%0.305SS..  trans-68.7137-166.5-48.9-68.9000113.4Y226 F252 W253Y226-D249 WeakPolarHBondContact OH-CB 3.44Å; Y226-D249 PolarHBondContact OH-OD2 3.02Å; D249-F252 PolarHBondContact O-N 3.13Å; D249-W253 VanDerWaalsContact N-CD1 3.33Å; D249-W253 PolarHBondContact O-N 3.08Å
250S92.9Very high95.7Very high86 Ų8656 Ų5660%0.60129%0.291SS*.THydrogen-bonded Turntrans-71.6143.1164.3-60.60000110.4D254S250-D254 VanDerWaalsContact CB-OD1 3.28Å; S250-D254 WeakPolarHBondContact CB-OD1 3.4Å; S250-D254 PolarHBondContact OG-OD1 2.83Å
251P93.6Very high95.9Very high87 Ų8754.7 Ų54.757%0.56528%0.284SS*.THydrogen-bonded Turncis-89.8-3.13.535.9-35.5000114.1W253 D254P251-W253 VanDerWaalsContact C-N 3.28Å; P251-W253 PolarHBondContact O-N 2.98Å; P251-D254 PolarHBondContact O-N 3.21Å
252F93.1Very high96.2Very high65 Ų6557.7 Ų57.729%0.28530%0.3SS..THydrogen-bonded Turntrans-65.9-30-167.3-51.1-65.8000113.6C224 Y226 D249 Q304C224-F252 HydrophobicContact CB-CB 4.35Å; Y226-F252 HydrophobicContact CE1-CB 3.83Å; Y226-F252 AromaticContact CE1-CD2 3.6Å; Y226-F252 HydrophobicContact CE1-CD2 3.6Å; Y226-F252 HydrophobicContact CE1-CE2 4.35Å; Y226-F252 AromaticContact CE1-CG 3.78Å; Y226-F252 HydrophobicContact CE1-CG 3.78Å; D249-F252 PolarHBondContact O-N 3.13Å; F252-Q304 HydrophobicContact CD1-CG 4.21Å; F252-Q304 HydrophobicContact CE1-CG 4.08Å; F252-Q304 VanDerWaalsContact CE1-NE2 3.29Å
253W97Very high96.5Very high0 Ų055.6 Ų55.60%029%0.289CS..THydrogen-bonded Turntrans-104.41.5-177.2-73.491.1000114.6Y220 L223 C224 Y226 F248 D249 P251 D255 I256 K261 I264Y220-W253 AromaticContact CD1-CZ2 3.79Å; Y220-W253 HydrophobicContact CD1-CZ2 3.79Å; Y220-W253 AromaticContact CD2-CH2 3.9Å; Y220-W253 HydrophobicContact CD2-CH2 3.9Å; Y220-W253 AromaticContact CD2-CZ2 3.48Å; Y220-W253 HydrophobicContact CD2-CZ2 3.48Å; Y220-W253 VanDerWaalsContact CD2-CZ2 3.48Å; Y220-W253 AromaticContact CE1-CZ2 3.73Å; Y220-W253 HydrophobicContact CE1-CZ2 3.73Å; Y220-W253 AromaticContact CE1-NE1 3.98Å; Y220-W253 AromaticContact CE2-CE2 3.85Å; Y220-W253 HydrophobicContact CE2-CH2 4.18Å; Y220-W253 AromaticContact CE2-CZ2 3.41Å; Y220-W253 HydrophobicContact CE2-CZ2 3.41Å; Y220-W253 VanDerWaalsContact CE2-CZ2 3.41Å; Y220-W253 HydrophobicContact CG-CH2 4.14Å; Y220-W253 AromaticContact CG-CZ2 3.66Å; Y220-W253 HydrophobicContact CG-CZ2 3.66Å; Y220-W253 AromaticContact CZ-CE2 3.73Å; Y220-W253 AromaticContact CZ-CZ2 3.52Å; Y220-W253 AromaticContact CZ-NE1 3.5Å; Y220-W253 PolarHBondContact OH-NE1 3.42Å; L223-W253 HydrophobicContact CB-CH2 3.87Å; L223-W253 HydrophobicContact CB-CZ3 4.17Å; L223-W253 HydrophobicContact CD1-CH2 4.17Å; L223-W253 HydrophobicContact CD1-CZ3 4.09Å; C224-W253 HydrophobicContact CB-CZ2 3.81Å; Y226-W253 AromaticContact CZ-NE1 3.76Å; Y226-W253 VanDerWaalsContact OH-CD1 3.3Å; Y226-W253 PolarHBondContact OH-NE1 2.98Å; F248-W253 VanDerWaalsContact C-CD1 3.49Å; F248-W253 HydrophobicContact CB-CB 3.82Å; F248-W253 HydrophobicContact CB-CD2 3.97Å; F248-W253 HydrophobicContact CB-CE3 4.35Å; F248-W253 HydrophobicContact CB-CG 3.71Å; F248-W253 AromaticContact CD1-CD2 3.48Å; F248-W253 HydrophobicContact CD1-CD2 3.48Å; F248-W253 VanDerWaalsContact CD1-CD2 3.48Å; F248-W253 AromaticContact CD1-CE2 3.65Å; F248-W253 AromaticContact CD1-CE3 3.44Å; F248-W253 HydrophobicContact CD1-CE3 3.44Å; F248-W253 VanDerWaalsContact CD1-CE3 3.44Å; F248-W253 HydrophobicContact CD1-CG 4.15Å; F248-W253 AromaticContact CD1-CH2 3.84Å; F248-W253 HydrophobicContact CD1-CH2 3.84Å; F248-W253 AromaticContact CD1-CZ2 3.85Å; F248-W253 HydrophobicContact CD1-CZ2 3.85Å; F248-W253 AromaticContact CD1-CZ3 3.61Å; F248-W253 HydrophobicContact CD1-CZ3 3.61Å; F248-W253 HydrophobicContact CE1-CD2 4.4Å; F248-W253 HydrophobicContact CE1-CE3 4.05Å; F248-W253 AromaticContact CE1-CH2 3.82Å; F248-W253 HydrophobicContact CE1-CH2 3.82Å; F248-W253 HydrophobicContact CE1-CZ2 4.17Å; F248-W253 AromaticContact CE1-CZ3 3.73Å; F248-W253 HydrophobicContact CE1-CZ3 3.73Å; F248-W253 HydrophobicContact CG-CD2 4.16Å; F248-W253 HydrophobicContact CG-CE3 4.21Å; F248-W253 HydrophobicContact CG-CG 4.42Å; D249-W253 VanDerWaalsContact N-CD1 3.33Å; D249-W253 PolarHBondContact O-N 3.08Å; P251-W253 VanDerWaalsContact C-N 3.28Å; P251-W253 PolarHBondContact O-N 2.98Å; W253-D255 PolarHBondContact O-N 3.43Å; W253-I256 HydrophobicContact CE3-CB 3.82Å; W253-I256 HydrophobicContact CE3-CG1 4.03Å; W253-I256 HydrophobicContact CE3-CG2 3.71Å; W253-I256 HydrophobicContact CZ3-CB 4.32Å; W253-I256 HydrophobicContact CZ3-CG2 3.71Å; W253-I256 PolarHBondContact O-N 3.21Å; W253-K261 HydrophobicContact CE3-CD 4.31Å; W253-K261 HydrophobicContact CE3-CG 3.81Å; W253-K261 HydrophobicContact CZ3-CG 4Å; W253-K261 WeakPolarHBondContact O-CE 3.48Å; W253-K261 PolarHBondContact O-NZ 3.4Å; W253-I264 HydrophobicContact CH2-CD1 3.46Å; W253-I264 VanDerWaalsContact CH2-CD1 3.46Å; W253-I264 HydrophobicContact CZ3-CD1 3.89Å
254D94.3Very high96.6Very high92 Ų9247.1 Ų47.149%0.49226%0.257SS..THydrogen-bonded Turntrans-65.5-33.4-177.6-68.6-5.8000111.3S250 P251S250-D254 VanDerWaalsContact CB-OD1 3.28Å; S250-D254 WeakPolarHBondContact CB-OD1 3.4Å; S250-D254 PolarHBondContact OG-OD1 2.83Å; P251-D254 PolarHBondContact O-N 3.21Å
255D92.1Very high96.7Very high73 Ų7350.5 Ų50.539%0.3927%0.265SS..THydrogen-bonded Turntrans-97.51.7-176.6-68.8-38.4000114W253 R295W253-D255 PolarHBondContact O-N 3.43Å; D255-R295 VanDerWaalsContact CG-NH2 3.26Å; D255-R295 IonicContact OD1-CZ 3.16Å; D255-R295 IonicContact OD1-NH1 3.16Å; D255-R295 PolarHBondContact OD1-NH1 2.91Å; D255-R295 IonicContact OD1-NH2 3.28Å; D255-R295 PolarHBondContact OD1-NH2 3.15Å; D255-R295 IonicContact OD2-CZ 3.01Å; D255-R295 VanDerWaalsContact OD2-CZ 3.22Å; D255-R295 IonicContact OD2-NH1 3.58Å; D255-R295 PolarHBondContact OD2-NH1 2.99Å; D255-R295 IonicContact OD2-NH2 2.83Å; D255-R295 PolarHBondContact OD2-NH2 3.29Å
256I97.4Very high96.8Very high7 Ų750.3 Ų50.34%0.03626%0.257CS..SBendtrans-94136.5178.9-57.2-59.6000109.8L223 W253 A260 K261 I297L223-I256 HydrophobicContact CB-CD1 4.36Å; L223-I256 HydrophobicContact CD1-CG2 4.09Å; W253-I256 HydrophobicContact CE3-CB 3.82Å; W253-I256 HydrophobicContact CE3-CG1 4.03Å; W253-I256 HydrophobicContact CE3-CG2 3.71Å; W253-I256 HydrophobicContact CZ3-CB 4.32Å; W253-I256 HydrophobicContact CZ3-CG2 3.71Å; W253-I256 PolarHBondContact O-N 3.21Å; I256-A260 HydrophobicContact CG2-CB 3.78Å; I256-K261 WeakPolarHBondContact O-CE 3.41Å; I256-I297 HydrophobicContact CD1-CD1 3.87Å; I256-I297 HydrophobicContact CD1-CG2 4.11Å
257S98Very high96.9Very high3 Ų348.3 Ų48.32%0.02125%0.249CC..  trans-61.1146-17685.50000112.6E127 S259 A260 K261 F293E127-S257 VanDerWaalsContact OE1-CB 3.25Å; E127-S257 WeakPolarHBondContact OE1-CB 3.49Å; E127-S257 PolarHBondContact OE1-OG 3.33Å; E127-S257 WeakPolarHBondContact OE2-CB 3.4Å; E127-S257 PolarHBondContact OE2-N 3.27Å; S257-S259 PolarHBondContact O-N 3.34Å; S257-S259 PolarHBondContact OG-N 2.97Å; S257-A260 WeakPolarHBondContact O-CB 3.29Å; S257-A260 PolarHBondContact O-N 2.94Å; S257-A260 VanDerWaalsContact O-N 3.14Å; S257-A260 PolarHBondContact OG-N 3.14Å; S257-K261 PolarHBondContact O-N 2.86Å; S257-F293 VanDerWaalsContact CA-CE2 3.43Å; S257-F293 VanDerWaalsContact CB-CE2 3.46Å; S257-F293 VanDerWaalsContact CB-CZ 3.46Å
258E98.1Very high96.9Very high108 Ų10842 Ų4251%0.50522%0.22SC..Hα-helixtrans-62.1-23.5170.1-78.8-53132.200112.1K261 D262 R265E258-K261 PolarHBondContact O-N 2.94Å; E258-K261 VanDerWaalsContact OE1-CD 3.32Å; E258-K261 WeakPolarHBondContact OE1-CD 3.37Å; E258-K261 WeakPolarHBondContact OE1-CE 3.39Å; E258-K261 IonicContact OE1-NZ 3.48Å; E258-K261 PolarHBondContact OE1-NZ 3.44Å; E258-D262 VanDerWaalsContact O-CB 3.24Å; E258-D262 WeakPolarHBondContact O-CB 3.28Å; E258-D262 PolarHBondContact O-N 3.29Å; E258-R265 IonicContact OE2-CZ 3.32Å; E258-R265 IonicContact OE2-NH1 2.67Å; E258-R265 PolarHBondContact OE2-NH1 3.38Å; E258-R265 IonicContact OE2-NH2 2.66Å; E258-R265 PolarHBondContact OE2-NH2 2.9Å
259S98.6Very high97Very high23 Ų2343.3 Ų43.316%0.16123%0.227CC..Hα-helixtrans-67.4-38.8174.9-164.30000111.7S257 F263 H284 T291S257-S259 PolarHBondContact O-N 3.34Å; S257-S259 PolarHBondContact OG-N 2.97Å; S259-F263 WeakPolarHBondContact O-CB 3.37Å; S259-F263 PolarHBondContact O-N 3.42Å; S259-H284 PolarHBondContact O-CE1 3.32Å; S259-H284 VanDerWaalsContact O-CE1 3.29Å; S259-T291 WeakPolarHBondContact CB-OG1 3.43Å; S259-T291 WeakPolarHBondContact OG-CB 3.27Å; S259-T291 PolarHBondContact OG-OG1 3.27Å
260A98.6Very high97.1Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-66.3-43.2173.800000112E127 L223 I256 S257 F263 I264 W286E127-A260 HydrophobicContact CG-CB 4.44Å; E127-A260 WeakPolarHBondContact OE1-CB 3.36Å; L223-A260 HydrophobicContact CD1-CB 3.68Å; I256-A260 HydrophobicContact CG2-CB 3.78Å; S257-A260 WeakPolarHBondContact O-CB 3.29Å; S257-A260 PolarHBondContact O-N 2.94Å; S257-A260 VanDerWaalsContact O-N 3.14Å; S257-A260 PolarHBondContact OG-N 3.14Å; A260-F263 WeakPolarHBondContact O-CB 3.16Å; A260-F263 PolarHBondContact O-N 3.49Å; A260-I264 WeakPolarHBondContact O-CG1 3.3Å; A260-I264 PolarHBondContact O-N 3.35Å; A260-W286 HydrophobicContact CB-CD2 4.28Å; A260-W286 HydrophobicContact CB-CG 4.27Å; A260-W286 HydrophobicContact CB-CZ2 4.31Å; A260-W286 VanDerWaalsContact CB-NE1 3.33Å
261K98.8Very high97.3Very high20 Ų2045 Ų459%0.08722%0.22CC..Hα-helixtrans-63.3-43177-62.3179.2-157.6167.90111F248 W253 I256 S257 E258 I264 R265F248-K261 HydrophobicContact CB-CD 4.16Å; F248-K261 HydrophobicContact CD1-CD 4.38Å; F248-K261 HydrophobicContact CD1-CG 4.01Å; F248-K261 HydrophobicContact CD2-CB 4.17Å; F248-K261 HydrophobicContact CD2-CD 4.05Å; F248-K261 HydrophobicContact CD2-CG 4.17Å; F248-K261 HydrophobicContact CE1-CB 4.17Å; F248-K261 HydrophobicContact CE1-CG 4.05Å; F248-K261 HydrophobicContact CE2-CB 3.81Å; F248-K261 HydrophobicContact CE2-CG 4.24Å; F248-K261 HydrophobicContact CG-CD 3.95Å; F248-K261 HydrophobicContact CG-CG 4.05Å; F248-K261 HydrophobicContact CZ-CB 3.78Å; F248-K261 HydrophobicContact CZ-CG 4.15Å; W253-K261 HydrophobicContact CE3-CD 4.31Å; W253-K261 HydrophobicContact CE3-CG 3.81Å; W253-K261 HydrophobicContact CZ3-CG 4Å; W253-K261 WeakPolarHBondContact O-CE 3.48Å; W253-K261 PolarHBondContact O-NZ 3.4Å; I256-K261 WeakPolarHBondContact O-CE 3.41Å; S257-K261 PolarHBondContact O-N 2.86Å; E258-K261 PolarHBondContact O-N 2.94Å; E258-K261 VanDerWaalsContact OE1-CD 3.32Å; E258-K261 WeakPolarHBondContact OE1-CD 3.37Å; E258-K261 WeakPolarHBondContact OE1-CE 3.39Å; E258-K261 IonicContact OE1-NZ 3.48Å; E258-K261 PolarHBondContact OE1-NZ 3.44Å; K261-I264 PolarHBondContact O-N 3.28Å; K261-R265 VanDerWaalsContact O-CG 3.31Å; K261-R265 WeakPolarHBondContact O-CG 3.31Å; K261-R265 PolarHBondContact O-N 3.1Å
262D98.8Very high97.4Very high62 Ų6243 Ų4333%0.33221%0.206SC..Hα-helixtrans-61.8-43.8175.3-17160.9000112.1E258 I264 R265 H266 H284E258-D262 VanDerWaalsContact O-CB 3.24Å; E258-D262 WeakPolarHBondContact O-CB 3.28Å; E258-D262 PolarHBondContact O-N 3.29Å; D262-I264 PolarHBondContact O-N 3.23Å; D262-R265 PolarHBondContact O-N 3.1Å; D262-H266 PolarHBondContact O-N 2.94Å; D262-H266 PolarHBondContact O-ND1 3.18Å; D262-H266 IonicContact OD1-CE1 3.22Å; D262-H266 PolarHBondContact OD1-CE1 2.79Å; D262-H266 IonicContact OD1-ND1 3.42Å; D262-H266 IonicContact OD2-CE1 3.13Å; D262-H266 PolarHBondContact OD2-CE1 3.43Å; D262-H266 VanDerWaalsContact OD2-CE1 3.28Å; D262-H266 IonicContact OD2-ND1 2.86Å; D262-H284 IonicContact OD2-NE2 3.48Å; D262-H284 PolarHBondContact OD2-NE2 3.29Å; D262-H284 VanDerWaalsContact OD2-NE2 3.16Å
263F98.9Very high97.5Very high0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-55.2-50.5172.5175.1-101.1000111.5V134 L138 S259 A260 R265 H266 L267 A281 H284 W286 I287V134-F263 HydrophobicContact CG1-CE1 3.91Å; V134-F263 HydrophobicContact CG1-CZ 3.77Å; L138-F263 HydrophobicContact CD1-CE2 4.21Å; L138-F263 HydrophobicContact CD1-CZ 3.93Å; S259-F263 WeakPolarHBondContact O-CB 3.37Å; S259-F263 PolarHBondContact O-N 3.42Å; A260-F263 WeakPolarHBondContact O-CB 3.16Å; A260-F263 PolarHBondContact O-N 3.49Å; F263-R265 VanDerWaalsContact C-N 3.33Å; F263-R265 PolarHBondContact O-N 2.81Å; F263-H266 PolarHBondContact O-N 3.08Å; F263-L267 HydrophobicContact CD1-CD1 4.35Å; F263-L267 HydrophobicContact CD1-CD2 4.46Å; F263-L267 HydrophobicContact CD2-CD1 3.96Å; F263-L267 HydrophobicContact CE1-CD1 4.05Å; F263-L267 HydrophobicContact CE1-CD2 3.61Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 HydrophobicContact CE2-CD1 3.66Å; F263-L267 HydrophobicContact CE2-CD2 4.36Å; F263-L267 HydrophobicContact CG-CD1 4.31Å; F263-L267 HydrophobicContact CZ-CD1 3.7Å; F263-L267 HydrophobicContact CZ-CD2 3.55Å; F263-L267 HydrophobicContact CZ-CG 4.3Å; F263-L267 VanDerWaalsContact O-CD1 3.23Å; F263-L267 WeakPolarHBondContact O-CD1 3.49Å; F263-L267 PolarHBondContact O-N 3.31Å; F263-A281 HydrophobicContact CE2-CB 3.92Å; F263-A281 HydrophobicContact CZ-CB 4.46Å; F263-H284 HydrophobicContact CD2-CB 3.79Å; F263-H284 AromaticContact CD2-CG 3.71Å; F263-H284 AromaticContact CD2-ND1 3.68Å; F263-H284 HydrophobicContact CE2-CB 4.31Å; F263-W286 HydrophobicContact CB-CB 4.06Å; F263-W286 HydrophobicContact CB-CD2 4.42Å; F263-W286 HydrophobicContact CB-CE3 4.18Å; F263-W286 HydrophobicContact CB-CG 4.38Å; F263-W286 HydrophobicContact CD1-CD2 4.35Å; F263-W286 AromaticContact CD1-CE3 3.42Å; F263-W286 HydrophobicContact CD1-CE3 3.42Å; F263-W286 VanDerWaalsContact CD1-CE3 3.42Å; F263-W286 AromaticContact CD1-CZ3 3.67Å; F263-W286 HydrophobicContact CD1-CZ3 3.67Å; F263-W286 HydrophobicContact CD2-CE3 4.18Å; F263-W286 AromaticContact CE1-CE3 3.73Å; F263-W286 HydrophobicContact CE1-CE3 3.73Å; F263-W286 AromaticContact CE1-CZ3 3.63Å; F263-W286 HydrophobicContact CE1-CZ3 3.63Å; F263-W286 HydrophobicContact CE2-CE3 4.42Å; F263-W286 HydrophobicContact CG-CB 4.46Å; F263-W286 HydrophobicContact CG-CD2 4.37Å; F263-W286 AromaticContact CG-CE3 3.66Å; F263-W286 HydrophobicContact CG-CE3 3.66Å; F263-W286 HydrophobicContact CG-CZ3 4.37Å; F263-W286 HydrophobicContact CZ-CE3 4.22Å; F263-W286 HydrophobicContact CZ-CZ3 4.29Å; F263-I287 HydrophobicContact CD2-CG1 4.14Å; F263-I287 HydrophobicContact CE2-CD1 4.12Å; F263-I287 HydrophobicContact CE2-CG1 3.59Å; F263-I287 HydrophobicContact CZ-CD1 4.03Å; F263-I287 HydrophobicContact CZ-CG1 4.01Å
264I98.8Very high97.6Very high0 Ų054.7 Ų54.70%026%0.26CS..Hα-helixtrans-60.5-41.6178.9-71.6167.9000111.4Y220 L223 Y246 F248 W253 A260 K261 D262 H266 L267 L268Y220-I264 HydrophobicContact CD2-CD1 4.45Å; Y220-I264 HydrophobicContact CD2-CG2 4.19Å; L223-I264 HydrophobicContact CD1-CD1 3.94Å; Y246-I264 HydrophobicContact CE2-CG2 4.2Å; F248-I264 HydrophobicContact CE1-CB 4.34Å; F248-I264 HydrophobicContact CE1-CD1 4.25Å; F248-I264 HydrophobicContact CE1-CG2 4.06Å; F248-I264 HydrophobicContact CZ-CB 4.18Å; F248-I264 HydrophobicContact CZ-CG2 3.98Å; W253-I264 HydrophobicContact CH2-CD1 3.46Å; W253-I264 VanDerWaalsContact CH2-CD1 3.46Å; W253-I264 HydrophobicContact CZ3-CD1 3.89Å; A260-I264 WeakPolarHBondContact O-CG1 3.3Å; A260-I264 PolarHBondContact O-N 3.35Å; K261-I264 PolarHBondContact O-N 3.28Å; D262-I264 PolarHBondContact O-N 3.23Å; I264-H266 VanDerWaalsContact C-N 3.27Å; I264-H266 PolarHBondContact O-N 3.01Å; I264-L267 PolarHBondContact O-N 3.26Å; I264-L267 VanDerWaalsContact O-N 3.08Å; I264-L268 HydrophobicContact CG2-CD1 3.67Å; I264-L268 HydrophobicContact CG2-CG 4.09Å; I264-L268 WeakPolarHBondContact O-CB 3.47Å; I264-L268 PolarHBondContact O-N 3.16Å
265R98.8Very high97.8Very high92 Ų9250.7 Ų50.735%0.34724%0.238SC..Hα-helixtrans-56.9-40.1177-70.6173.4-1631150.5112.5Y246 F248 E258 K261 D262 F263 E269Y246-R265 WeakPolarHBondContact OH-CA 3.48Å; F248-R265 HydrophobicContact CE2-CG 4.04Å; F248-R265 HydrophobicContact CZ-CG 4.26Å; E258-R265 IonicContact OE2-CZ 3.32Å; E258-R265 IonicContact OE2-NH1 2.67Å; E258-R265 PolarHBondContact OE2-NH1 3.38Å; E258-R265 IonicContact OE2-NH2 2.66Å; E258-R265 PolarHBondContact OE2-NH2 2.9Å; K261-R265 VanDerWaalsContact O-CG 3.31Å; K261-R265 WeakPolarHBondContact O-CG 3.31Å; K261-R265 PolarHBondContact O-N 3.1Å; D262-R265 PolarHBondContact O-N 3.1Å; F263-R265 VanDerWaalsContact C-N 3.33Å; F263-R265 PolarHBondContact O-N 2.81Å; R265-E269 PolarHBondContact O-N 2.8Å
266H98.8Very high98.1Very high60 Ų6049.2 Ų49.228%0.27823%0.228SC..Hα-helixtrans-71.4-27.7177.5-70.599.7000113.9D262 F263 I264 F276D262-H266 PolarHBondContact O-N 2.94Å; D262-H266 PolarHBondContact O-ND1 3.18Å; D262-H266 IonicContact OD1-CE1 3.22Å; D262-H266 PolarHBondContact OD1-CE1 2.79Å; D262-H266 IonicContact OD1-ND1 3.42Å; D262-H266 IonicContact OD2-CE1 3.13Å; D262-H266 PolarHBondContact OD2-CE1 3.43Å; D262-H266 VanDerWaalsContact OD2-CE1 3.28Å; D262-H266 IonicContact OD2-ND1 2.86Å; F263-H266 PolarHBondContact O-N 3.08Å; I264-H266 VanDerWaalsContact C-N 3.27Å; I264-H266 PolarHBondContact O-N 3.01Å; H266-F276 HydrophobicContact CB-CB 4.46Å; H266-F276 HydrophobicContact CB-CD1 3.86Å; H266-F276 HydrophobicContact CB-CD2 3.64Å; H266-F276 HydrophobicContact CB-CE1 3.96Å; H266-F276 HydrophobicContact CB-CE2 3.72Å; H266-F276 HydrophobicContact CB-CG 3.72Å; H266-F276 HydrophobicContact CB-CZ 3.88Å; H266-F276 AromaticContact CD2-CD1 3.82Å; H266-F276 AromaticContact CD2-CE1 3.14Å; H266-F276 WeakPolarHBondContact CD2-CE1 3.36Å; H266-F276 AromaticContact CD2-CE2 3.98Å; H266-F276 AromaticContact CD2-CZ 3.23Å; H266-F276 WeakPolarHBondContact CD2-CZ 3.48Å; H266-F276 AromaticContact CG-CE1 3.71Å; H266-F276 AromaticContact CG-CE2 3.74Å; H266-F276 AromaticContact CG-CZ 3.49Å; H266-F276 VanDerWaalsContact CG-CZ 3.49Å; H266-F276 AromaticContact NE2-CE1 3.91Å; H266-F276 AromaticContact NE2-CZ 3.73Å; H266-F276 PolarHBondContact O-N 3.2Å; H266-F276 VanDerWaalsContact O-N 3.11Å
267L98.8Very high98.2Very high0 Ų052.1 Ų52.10%025%0.246CC..Hα-helixtrans-84.6-37.1177.1-85.667000112.2V212 L215 F263 I264 E269 R275 A281V212-L267 HydrophobicContact CG1-CB 4.26Å; V212-L267 HydrophobicContact CG1-CD2 4.37Å; V212-L267 HydrophobicContact CG1-CG 3.68Å; L215-L267 HydrophobicContact CB-CD2 4.09Å; F263-L267 HydrophobicContact CD1-CD1 4.35Å; F263-L267 HydrophobicContact CD1-CD2 4.46Å; F263-L267 HydrophobicContact CD2-CD1 3.96Å; F263-L267 HydrophobicContact CE1-CD1 4.05Å; F263-L267 HydrophobicContact CE1-CD2 3.61Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 HydrophobicContact CE2-CD1 3.66Å; F263-L267 HydrophobicContact CE2-CD2 4.36Å; F263-L267 HydrophobicContact CG-CD1 4.31Å; F263-L267 HydrophobicContact CZ-CD1 3.7Å; F263-L267 HydrophobicContact CZ-CD2 3.55Å; F263-L267 HydrophobicContact CZ-CG 4.3Å; F263-L267 VanDerWaalsContact O-CD1 3.23Å; F263-L267 WeakPolarHBondContact O-CD1 3.49Å; F263-L267 PolarHBondContact O-N 3.31Å; I264-L267 PolarHBondContact O-N 3.26Å; I264-L267 VanDerWaalsContact O-N 3.08Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 2.99Å; L267-R275 WeakPolarHBondContact O-CD 3.32Å; L267-R275 VanDerWaalsContact O-CG 3.29Å; L267-R275 WeakPolarHBondContact O-CG 3.37Å; L267-A281 HydrophobicContact CD1-CB 4.01Å
268L98.6Very high98.2Very high3 Ų352.1 Ų52.12%0.01625%0.246CC..SBendtrans-92.228.7176.1-62.5-175.6000112.7W213 V217 P228 F229 Y246 I264W213-L268 HydrophobicContact CD2-CD2 3.88Å; W213-L268 HydrophobicContact CE3-CD2 4.04Å; W213-L268 HydrophobicContact CG-CD2 4.34Å; W213-L268 HydrophobicContact CZ2-CD2 4.36Å; W213-L268 HydrophobicContact CZ3-CB 4.32Å; W213-L268 HydrophobicContact CZ3-CD2 4.35Å; W213-L268 WeakPolarHBondContact CZ3-O 3.47Å; W213-L268 WeakPolarHBondContact O-CD2 3.39Å; V217-L268 HydrophobicContact CG2-CD2 3.81Å; P228-L268 HydrophobicContact CB-CD1 4.32Å; P228-L268 HydrophobicContact CG-CD1 4.3Å; F229-L268 HydrophobicContact CE2-CD2 4.45Å; F229-L268 HydrophobicContact CZ-CD1 4.49Å; Y246-L268 HydrophobicContact CD1-CB 4.43Å; Y246-L268 HydrophobicContact CD1-CD1 4.09Å; Y246-L268 HydrophobicContact CD2-CD1 4.34Å; Y246-L268 HydrophobicContact CE1-CB 3.6Å; Y246-L268 HydrophobicContact CE1-CD1 3.89Å; Y246-L268 HydrophobicContact CE1-CG 4.41Å; Y246-L268 HydrophobicContact CE2-CD1 4.15Å; Y246-L268 HydrophobicContact CG-CD1 4.32Å; I264-L268 HydrophobicContact CG2-CD1 3.67Å; I264-L268 HydrophobicContact CG2-CG 4.09Å; I264-L268 WeakPolarHBondContact O-CB 3.47Å; I264-L268 PolarHBondContact O-N 3.16Å
269E98.4Very high98.2Very high67 Ų6753 Ų5331%0.31325%0.25SS..  trans-71.8127.5170.8169.255.4-111.300109.7R265 L267 D271 K274 R275R265-E269 PolarHBondContact O-N 2.8Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 2.99Å; E269-D271 PolarHBondContact O-N 2.95Å; E269-D271 PolarHBondContact OE1-N 3.48Å; E269-K274 HydrophobicContact CG-CB 3.66Å; E269-R275 HydrophobicContact CB-CB 4.02Å; E269-R275 HydrophobicContact CB-CG 4.27Å; E269-R275 HydrophobicContact CG-CB 4.26Å; E269-R275 VanDerWaalsContact O-CZ 3.32Å; E269-R275 PolarHBondContact O-NE 2.68Å; E269-R275 PolarHBondContact O-NH2 3.12Å
270R96.9Very high98.2Very high125 Ų12556.1 Ų56.147%0.47226%0.262SS..SBendtrans-62.9-44.2-176.3-176.6-174.8173.4-156.8-2.9111.5E202 L242 A244 P272 R275E202-R270 IonicContact OE1-NH2 3.81Å; L242-R270 WeakPolarHBondContact O-CD 3.43Å; L242-R270 PolarHBondContact O-NE 3.05Å; A244-R270 HydrophobicContact CB-CB 3.9Å; R270-P272 VanDerWaalsContact O-CD 3.26Å; R270-P272 WeakPolarHBondContact O-CD 3.35Å; R270-R275 PolarHBondContact O-NH2 3.27Å
271D96.6Very high98.2Very high59 Ų5956.1 Ų56.132%0.31626%0.262SS..SBendtrans-77.1111.3-179.5-176.7-10.5000110.3E269 Q273 K274 R275E269-D271 PolarHBondContact O-N 2.95Å; E269-D271 PolarHBondContact OE1-N 3.48Å; D271-Q273 PolarHBondContact O-N 3.23Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.23Å; D271-Q273 PolarHBondContact OD1-N 2.91Å; D271-K274 HydrophobicContact CB-CB 4.19Å; D271-K274 HydrophobicContact CB-CD 4.05Å; D271-K274 HydrophobicContact CB-CG 4.1Å; D271-K274 PolarHBondContact O-N 3.43Å; D271-K274 WeakPolarHBondContact OD2-CE 3.37Å; D271-R275 PolarHBondContact O-N 3.25Å
272P95.8Very high98.2Very high43 Ų4357.8 Ų57.828%0.27927%0.272SS..THydrogen-bonded Turntrans-63.6-14.6-177.527.4-35.8000113.7A209 R270A209-P272 HydrophobicContact CB-CB 3.77Å; R270-P272 VanDerWaalsContact O-CD 3.26Å; R270-P272 WeakPolarHBondContact O-CD 3.35Å
273Q96.1Very high98.1Very high169 Ų16961.7 Ų61.779%0.7929%0.288SS*.THydrogen-bonded Turntrans-82.3-23173.4-61.1-58.2-61.600113.2D271D271-Q273 PolarHBondContact O-N 3.23Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.23Å; D271-Q273 PolarHBondContact OD1-N 2.91Å
274K97.9Very high98.1Very high143 Ų14362.7 Ų62.762%0.62229%0.292SS*.THydrogen-bonded Turntrans-96.4-26.5176.4-63.2-180-170.91730112.2E269 D271E269-K274 HydrophobicContact CG-CB 3.66Å; D271-K274 HydrophobicContact CB-CB 4.19Å; D271-K274 HydrophobicContact CB-CD 4.05Å; D271-K274 HydrophobicContact CB-CG 4.1Å; D271-K274 PolarHBondContact O-N 3.43Å; D271-K274 WeakPolarHBondContact OD2-CE 3.37Å
275R98.6Very high98.1Very high8 Ų867.8 Ų67.83%0.0332%0.319CS..SBendtrans-54.7137.7174.6-165.7-176.8-59.1146.67.7110.1E199 A209 V212 L267 E269 R270 D271E199-R275 IonicContact OE1-CZ 3.47Å; E199-R275 IonicContact OE1-NH1 3.01Å; E199-R275 PolarHBondContact OE1-NH1 2.94Å; E199-R275 IonicContact OE1-NH2 3.34Å; E199-R275 IonicContact OE2-CZ 3.93Å; E199-R275 IonicContact OE2-NH1 2.76Å; E199-R275 PolarHBondContact OE2-NH1 3.25Å; E199-R275 IonicContact OE2-NH2 3.8Å; E199-R275 PolarHBondContact OE2-NH2 3.29Å; A209-R275 VanDerWaalsContact C-NH1 3.34Å; A209-R275 WeakPolarHBondContact O-CD 3.39Å; A209-R275 PolarHBondContact O-NH1 2.94Å; V212-R275 HydrophobicContact CG1-CG 4.33Å; L267-R275 WeakPolarHBondContact O-CD 3.32Å; L267-R275 VanDerWaalsContact O-CG 3.29Å; L267-R275 WeakPolarHBondContact O-CG 3.37Å; E269-R275 HydrophobicContact CB-CB 4.02Å; E269-R275 HydrophobicContact CB-CG 4.27Å; E269-R275 HydrophobicContact CG-CB 4.26Å; E269-R275 VanDerWaalsContact O-CZ 3.32Å; E269-R275 PolarHBondContact O-NE 2.68Å; E269-R275 PolarHBondContact O-NH2 3.12Å; R270-R275 PolarHBondContact O-NH2 3.27Å; D271-R275 PolarHBondContact O-N 3.25Å
276F98.7Very high98.1Very high41 Ų4163.4 Ų63.418%0.1830%0.303CS..PPolyproline II helixtrans-57149.6177.5-86.313.1000111.8V212 H266 Q280 A281V212-F276 VanDerWaalsContact CG1-O 3.3Å; V212-F276 WeakPolarHBondContact CG1-O 3.21Å; H266-F276 HydrophobicContact CB-CB 4.46Å; H266-F276 HydrophobicContact CB-CD1 3.86Å; H266-F276 HydrophobicContact CB-CD2 3.64Å; H266-F276 HydrophobicContact CB-CE1 3.96Å; H266-F276 HydrophobicContact CB-CE2 3.72Å; H266-F276 HydrophobicContact CB-CG 3.72Å; H266-F276 HydrophobicContact CB-CZ 3.88Å; H266-F276 AromaticContact CD2-CD1 3.82Å; H266-F276 AromaticContact CD2-CE1 3.14Å; H266-F276 WeakPolarHBondContact CD2-CE1 3.36Å; H266-F276 AromaticContact CD2-CE2 3.98Å; H266-F276 AromaticContact CD2-CZ 3.23Å; H266-F276 WeakPolarHBondContact CD2-CZ 3.48Å; H266-F276 AromaticContact CG-CE1 3.71Å; H266-F276 AromaticContact CG-CE2 3.74Å; H266-F276 AromaticContact CG-CZ 3.49Å; H266-F276 VanDerWaalsContact CG-CZ 3.49Å; H266-F276 AromaticContact NE2-CE1 3.91Å; H266-F276 AromaticContact NE2-CZ 3.73Å; H266-F276 PolarHBondContact O-N 3.2Å; H266-F276 VanDerWaalsContact O-N 3.11Å; F276-Q280 HydrophobicContact CB-CB 4.14Å; F276-Q280 HydrophobicContact CD1-CB 4.26Å; F276-Q280 HydrophobicContact CD2-CB 3.96Å; F276-Q280 HydrophobicContact CE2-CB 4.43Å; F276-Q280 HydrophobicContact CG-CB 3.86Å; F276-A281 HydrophobicContact CD2-CB 4.39Å
277T98.7Very high98.1Very high69 Ų6962 Ų6242%0.42330%0.297SS..PPolyproline II helixtrans-82161.7160.1610000109.7Q279 Q280 A281T277-Q279 PolarHBondContact O-N 3.12Å; T277-Q280 PolarHBondContact O-N 3.11Å; T277-Q280 VanDerWaalsContact O-N 3.1Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.26Å; T277-Q280 PolarHBondContact OG1-N 3.4Å; T277-Q280 PolarHBondContact OG1-OE1 3.13Å; T277-A281 WeakPolarHBondContact O-CB 3.35Å; T277-A281 PolarHBondContact O-N 3.21Å
278C98.4Very high97.9Very high2 Ų265.6 Ų65.61%0.01432%0.322CS..Hα-helixtrans-56.8-34.3174.2-65.20000112.2L138 V141 A281 L282L138-C278 HydrophobicContact CD2-CB 4.1Å; V141-C278 VanDerWaalsContact CG1-SG 3.57Å; C278-A281 PolarHBondContact O-N 3.07Å; C278-L282 WeakPolarHBondContact O-CB 3.08Å; C278-L282 VanDerWaalsContact O-CG 3.25Å; C278-L282 WeakPolarHBondContact O-CG 3.33Å; C278-L282 PolarHBondContact O-N 3.24Å
279Q98.2Very high97.6Very high128 Ų12866.8 Ų66.860%0.59834%0.335SS*.Hα-helixtrans-65.9-41.9176.8-70.2-177.1-32.200112.5T277 Q283T277-Q279 PolarHBondContact O-N 3.12Å; Q279-Q283 WeakPolarHBondContact O-CG 3.45Å; Q279-Q283 PolarHBondContact O-N 3.44Å
280Q98.6Very high97.3Very high87 Ų8771.4 Ų71.441%0.40736%0.362SS..Hα-helixtrans-67.4-42.4174.9-72.7162.8-51.500111.3F276 T277 L282 Q283 H284F276-Q280 HydrophobicContact CB-CB 4.14Å; F276-Q280 HydrophobicContact CD1-CB 4.26Å; F276-Q280 HydrophobicContact CD2-CB 3.96Å; F276-Q280 HydrophobicContact CE2-CB 4.43Å; F276-Q280 HydrophobicContact CG-CB 3.86Å; T277-Q280 PolarHBondContact O-N 3.11Å; T277-Q280 VanDerWaalsContact O-N 3.1Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.26Å; T277-Q280 PolarHBondContact OG1-N 3.4Å; T277-Q280 PolarHBondContact OG1-OE1 3.13Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 2.8Å; Q280-Q283 WeakPolarHBondContact O-CB 3.21Å; Q280-Q283 PolarHBondContact O-N 2.83Å; Q280-H284 PolarHBondContact O-N 3.46Å
281A98.7Very high97.3Very high0 Ų067.5 Ų67.50%035%0.352CS..Hα-helixtrans-61.1-40.5176.700000112.3L138 F263 L267 F276 T277 C278 Q283 H284L138-A281 HydrophobicContact CD1-CB 3.83Å; L138-A281 HydrophobicContact CD2-CB 3.73Å; L138-A281 HydrophobicContact CG-CB 4.47Å; F263-A281 HydrophobicContact CE2-CB 3.92Å; F263-A281 HydrophobicContact CZ-CB 4.46Å; L267-A281 HydrophobicContact CD1-CB 4.01Å; F276-A281 HydrophobicContact CD2-CB 4.39Å; T277-A281 WeakPolarHBondContact O-CB 3.35Å; T277-A281 PolarHBondContact O-N 3.21Å; C278-A281 PolarHBondContact O-N 3.07Å; A281-Q283 PolarHBondContact O-N 3.45Å; A281-H284 VanDerWaalsContact O-CB 3.23Å; A281-H284 WeakPolarHBondContact O-CB 3.21Å; A281-H284 PolarHBondContact O-N 2.94Å; A281-H284 VanDerWaalsContact O-N 3.11Å
282L98.4Very high97.3Very high55 Ų5565.1 Ų65.129%0.28834%0.341SS..Hα-helixtrans-62.6-25174-77.1166.5000113.5L138 C278 Q280 I287 S288L138-L282 HydrophobicContact CB-CD2 3.63Å; L138-L282 HydrophobicContact CB-CG 3.87Å; L138-L282 HydrophobicContact CD1-CD2 4.33Å; L138-L282 HydrophobicContact CD1-CG 4.43Å; C278-L282 WeakPolarHBondContact O-CB 3.08Å; C278-L282 VanDerWaalsContact O-CG 3.25Å; C278-L282 WeakPolarHBondContact O-CG 3.33Å; C278-L282 PolarHBondContact O-N 3.24Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 2.8Å; L282-I287 HydrophobicContact CD2-CG2 4.38Å; L282-S288 WeakPolarHBondContact O-CB 3.18Å
283Q98.4Very high97.3Very high145 Ų14568 Ų6868%0.67835%0.349SS*.THydrogen-bonded Turntrans-90.7-5.5177.6-67.4172.12.400113Q279 Q280 A281 S288Q279-Q283 WeakPolarHBondContact O-CG 3.45Å; Q279-Q283 PolarHBondContact O-N 3.44Å; Q280-Q283 WeakPolarHBondContact O-CB 3.21Å; Q280-Q283 PolarHBondContact O-N 2.83Å; A281-Q283 PolarHBondContact O-N 3.45Å; Q283-S288 PolarHBondContact O-OG 2.86Å
284H98.7Very high97.3Very high20 Ų2065.4 Ų65.49%0.09334%0.34CS..SBendtrans-65.2145178.9-170-91.9000110.6S259 D262 F263 Q280 A281 W286 I287 S288S259-H284 PolarHBondContact O-CE1 3.32Å; S259-H284 VanDerWaalsContact O-CE1 3.29Å; D262-H284 IonicContact OD2-NE2 3.48Å; D262-H284 PolarHBondContact OD2-NE2 3.29Å; D262-H284 VanDerWaalsContact OD2-NE2 3.16Å; F263-H284 HydrophobicContact CD2-CB 3.79Å; F263-H284 AromaticContact CD2-CG 3.71Å; F263-H284 AromaticContact CD2-ND1 3.68Å; F263-H284 HydrophobicContact CE2-CB 4.31Å; Q280-H284 PolarHBondContact O-N 3.46Å; A281-H284 VanDerWaalsContact O-CB 3.23Å; A281-H284 WeakPolarHBondContact O-CB 3.21Å; A281-H284 PolarHBondContact O-N 2.94Å; A281-H284 VanDerWaalsContact O-N 3.11Å; H284-W286 VanDerWaalsContact ND1-CB 3.29Å; H284-W286 WeakPolarHBondContact ND1-CB 3.5Å; H284-W286 PolarHBondContact ND1-N 3.23Å; H284-W286 VanDerWaalsContact ND1-N 3.14Å; H284-W286 PolarHBondContact O-N 3.38Å; H284-I287 PolarHBondContact O-N 2.83Å; H284-S288 PolarHBondContact O-N 3.02Å; H284-S288 PolarHBondContact O-OG 2.96Å
285L97.8Very high97Very high107 Ų10764.9 Ų64.956%0.5633%0.334SS*.Hα-helixtrans-61.3-32.1-175.5-69.2176.9000112.9I287 G289 T291L285-I287 PolarHBondContact O-N 2.78Å; L285-G289 CarbonylContact O-C 3.41Å; L285-G289 WeakPolarHBondContact O-CA 3.42Å; L285-G289 PolarHBondContact O-N 3.37Å; L285-T291 VanDerWaalsContact C-OG1 3.22Å; L285-T291 HydrophobicContact CB-CG2 3.95Å; L285-T291 PolarHBondContact O-OG1 3.5Å; L285-T291 VanDerWaalsContact O-OG1 3.14Å
286W98.6Very high96.9Very high1 Ų168.5 Ų68.50%0.00436%0.355CS..Hα-helixtrans-61.5-30.9175-170.366.8000113.5E127 A130 S131 V134 L223 A260 F263 H284 T291E127-W286 HydrophobicContact CG-CZ2 4Å; E127-W286 VanDerWaalsContact OE1-CD1 3.24Å; E127-W286 PolarHBondContact OE1-NE1 3.36Å; A130-W286 HydrophobicContact CB-CH2 4.27Å; A130-W286 HydrophobicContact CB-CZ2 4.28Å; S131-W286 VanDerWaalsContact CA-CH2 3.48Å; S131-W286 WeakPolarHBondContact CB-O 3.32Å; S131-W286 PolarHBondContact OG-O 3.23Å; V134-W286 HydrophobicContact CB-CH2 4.48Å; V134-W286 HydrophobicContact CB-CZ3 4.07Å; V134-W286 HydrophobicContact CG1-CZ3 4.15Å; V134-W286 HydrophobicContact CG2-CH2 4.25Å; V134-W286 HydrophobicContact CG2-CZ3 4.22Å; L223-W286 HydrophobicContact CD1-CH2 4.45Å; L223-W286 HydrophobicContact CD1-CZ2 4.08Å; L223-W286 HydrophobicContact CD2-CZ2 4.1Å; A260-W286 HydrophobicContact CB-CD2 4.28Å; A260-W286 HydrophobicContact CB-CG 4.27Å; A260-W286 HydrophobicContact CB-CZ2 4.31Å; A260-W286 VanDerWaalsContact CB-NE1 3.33Å; F263-W286 HydrophobicContact CB-CB 4.06Å; F263-W286 HydrophobicContact CB-CD2 4.42Å; F263-W286 HydrophobicContact CB-CE3 4.18Å; F263-W286 HydrophobicContact CB-CG 4.38Å; F263-W286 HydrophobicContact CD1-CD2 4.35Å; F263-W286 AromaticContact CD1-CE3 3.42Å; F263-W286 HydrophobicContact CD1-CE3 3.42Å; F263-W286 VanDerWaalsContact CD1-CE3 3.42Å; F263-W286 AromaticContact CD1-CZ3 3.67Å; F263-W286 HydrophobicContact CD1-CZ3 3.67Å; F263-W286 HydrophobicContact CD2-CE3 4.18Å; F263-W286 AromaticContact CE1-CE3 3.73Å; F263-W286 HydrophobicContact CE1-CE3 3.73Å; F263-W286 AromaticContact CE1-CZ3 3.63Å; F263-W286 HydrophobicContact CE1-CZ3 3.63Å; F263-W286 HydrophobicContact CE2-CE3 4.42Å; F263-W286 HydrophobicContact CG-CB 4.46Å; F263-W286 HydrophobicContact CG-CD2 4.37Å; F263-W286 AromaticContact CG-CE3 3.66Å; F263-W286 HydrophobicContact CG-CE3 3.66Å; F263-W286 HydrophobicContact CG-CZ3 4.37Å; F263-W286 HydrophobicContact CZ-CE3 4.22Å; F263-W286 HydrophobicContact CZ-CZ3 4.29Å; H284-W286 VanDerWaalsContact ND1-CB 3.29Å; H284-W286 WeakPolarHBondContact ND1-CB 3.5Å; H284-W286 PolarHBondContact ND1-N 3.23Å; H284-W286 VanDerWaalsContact ND1-N 3.14Å; H284-W286 PolarHBondContact O-N 3.38Å; W286-T291 VanDerWaalsContact CA-OG1 3.28Å; W286-T291 WeakPolarHBondContact CA-OG1 3.28Å; W286-T291 PolarHBondContact N-OG1 3.11Å
287I98.3Very high96.7Very high29 Ų2967 Ų6715%0.14935%0.349CS..Hα-helixtrans-95.4-44-179.6-60.8-63.1000111.9V134 L138 F263 L282 H284 L285V134-I287 HydrophobicContact CB-CD1 4.14Å; V134-I287 HydrophobicContact CG1-CD1 3.88Å; L138-I287 HydrophobicContact CD1-CD1 4.29Å; L138-I287 HydrophobicContact CD1-CG1 4.19Å; F263-I287 HydrophobicContact CD2-CG1 4.14Å; F263-I287 HydrophobicContact CE2-CD1 4.12Å; F263-I287 HydrophobicContact CE2-CG1 3.59Å; F263-I287 HydrophobicContact CZ-CD1 4.03Å; F263-I287 HydrophobicContact CZ-CG1 4.01Å; L282-I287 HydrophobicContact CD2-CG2 4.38Å; H284-I287 PolarHBondContact O-N 2.83Å; L285-I287 PolarHBondContact O-N 2.78Å
288S95.8Very high96.3Very high76 Ų7664.7 Ų64.753%0.53133%0.333SS..Hα-helixtrans-104.5-11-16961.70000114.9L282 Q283 H284L282-S288 WeakPolarHBondContact O-CB 3.18Å; Q283-S288 PolarHBondContact O-OG 2.86Å; H284-S288 PolarHBondContact O-N 3.02Å; H284-S288 PolarHBondContact O-OG 2.96Å
289G92.2Very high95.9Very high29 Ų2967 Ų6730%0.29936%0.358SS..SBendtrans-114.6-165.6177.900000112.3L285L285-G289 CarbonylContact O-C 3.41Å; L285-G289 WeakPolarHBondContact O-CA 3.42Å; L285-G289 PolarHBondContact O-N 3.37Å
290D92.1Very high95.5Very high163 Ų16363.3 Ų63.387%0.87235%0.346SS*.SBendtrans-105.130.6-176.1-63.5-46.2000112.7
291T96.4Very high95.2Very high44 Ų4459.1 Ų59.127%0.2733%0.327SS..  trans-87.7-14.3-177.460.20000114S259 L285 W286S259-T291 WeakPolarHBondContact CB-OG1 3.43Å; S259-T291 WeakPolarHBondContact OG-CB 3.27Å; S259-T291 PolarHBondContact OG-OG1 3.27Å; L285-T291 VanDerWaalsContact C-OG1 3.22Å; L285-T291 HydrophobicContact CB-CG2 3.95Å; L285-T291 PolarHBondContact O-OG1 3.5Å; L285-T291 VanDerWaalsContact O-OG1 3.14Å; W286-T291 VanDerWaalsContact CA-OG1 3.28Å; W286-T291 WeakPolarHBondContact CA-OG1 3.28Å; W286-T291 PolarHBondContact N-OG1 3.11Å
292A96.6Very high94.6Very high8 Ų860.2 Ų60.27%0.06633%0.334CS..SBendtrans-72.9130.4176.100000111.4E127 K128E127-A292 HydrophobicContact CG-CB 4.25Å; E127-A292 WeakPolarHBondContact OE1-CA 3.5Å; K128-A292 WeakPolarHBondContact CE-O 3.46Å; K128-A292 HydrophobicContact CG-CB 3.94Å; K128-A292 WeakPolarHBondContact CG-O 3.48Å
293F96.7Very high94.2Very high104 Ų10462 Ų6246%0.45634%0.341SS..  trans-73.8144.3-177.2-65-18.1000113.6E127 K128 S257 R295E127-F293 HydrophobicContact CB-CB 4.31Å; E127-F293 WeakPolarHBondContact CB-O 3.37Å; E127-F293 PolarHBondContact N-O 3.48Å; K128-F293 PolarHBondContact N-O 3.44Å; S257-F293 VanDerWaalsContact CA-CE2 3.43Å; S257-F293 VanDerWaalsContact CB-CE2 3.46Å; S257-F293 VanDerWaalsContact CB-CZ 3.46Å; F293-R295 VanDerWaalsContact C-N 3.27Å; F293-R295 PolarHBondContact O-N 3.32Å
294D95.3Very high93.8Very high114 Ų11456.1 Ų56.161%0.6131%0.314SS*.  trans-95.625.2177.8-147-13.7000112.4K128K128-D294 HydrophobicContact CD-CB 4.01Å; K128-D294 IonicContact NZ-OD2 3.65Å; K128-D294 PolarHBondContact NZ-OD2 3.24Å
295R92.7Very high93.2Very high132 Ų13255.5 Ų55.550%0.49831%0.311SS..  trans-91.6135.6-179-178.7174.4173.4-170.6-11.8108.9T126 D255 F293 I297T126-R295 WeakPolarHBondContact CA-O 3.4Å; D255-R295 VanDerWaalsContact CG-NH2 3.26Å; D255-R295 IonicContact OD1-CZ 3.16Å; D255-R295 IonicContact OD1-NH1 3.16Å; D255-R295 PolarHBondContact OD1-NH1 2.91Å; D255-R295 IonicContact OD1-NH2 3.28Å; D255-R295 PolarHBondContact OD1-NH2 3.15Å; D255-R295 IonicContact OD2-CZ 3.01Å; D255-R295 VanDerWaalsContact OD2-CZ 3.22Å; D255-R295 IonicContact OD2-NH1 3.58Å; D255-R295 PolarHBondContact OD2-NH1 2.99Å; D255-R295 IonicContact OD2-NH2 2.83Å; D255-R295 PolarHBondContact OD2-NH2 3.29Å; F293-R295 VanDerWaalsContact C-N 3.27Å; F293-R295 PolarHBondContact O-N 3.32Å; R295-I297 PolarHBondContact O-N 3.4Å
296D94.9Very high92.6Very high85 Ų8556 Ų5646%0.45531%0.31SS..BIsolated β-bridgetrans-67.4121.2174-172.421.9000110.4Y125 L298Y125-D296 PolarHBondContact N-OD1 2.88Å; Y125-D296 VanDerWaalsContact O-OD1 3.05Å; D296-L298 WeakPolarHBondContact OD1-CB 3.36Å; D296-L298 PolarHBondContact OD1-N 3.08Å
297I94.6Very high91.9Very high10 Ų1061.9 Ų61.95%0.05134%0.336CS..  trans-116.24.9177.462.3173.7000111.2Y125 L223 I256 R295 G299 S300 V301Y125-I297 HydrophobicContact CD1-CD1 4.36Å; Y125-I297 HydrophobicContact CD1-CG1 4.01Å; Y125-I297 HydrophobicContact CE1-CD1 4.27Å; Y125-I297 HydrophobicContact CE1-CG1 4.41Å; Y125-I297 VanDerWaalsContact O-CG1 3.28Å; Y125-I297 WeakPolarHBondContact O-CG1 3.19Å; Y125-I297 PolarHBondContact O-N 2.73Å; L223-I297 HydrophobicContact CD2-CD1 4.24Å; I256-I297 HydrophobicContact CD1-CD1 3.87Å; I256-I297 HydrophobicContact CD1-CG2 4.11Å; R295-I297 PolarHBondContact O-N 3.4Å; I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 3.22Å; I297-S300 PolarHBondContact O-N 2.83Å; I297-S300 PolarHBondContact O-OG 3.48Å; I297-S300 VanDerWaalsContact O-OG 3.12Å; I297-V301 HydrophobicContact CB-CG2 4.31Å; I297-V301 HydrophobicContact CD1-CG2 4.04Å; I297-V301 HydrophobicContact CG1-CG2 4.07Å; I297-V301 WeakPolarHBondContact O-CB 3.46Å; I297-V301 WeakPolarHBondContact O-CG2 3.33Å; I297-V301 PolarHBondContact O-N 3.33Å; I297-V301 VanDerWaalsContact O-N 3.11Å
298L91.4Very high91Very high19 Ų1963.3 Ų63.310%0.09934%0.344CS..Hα-helixtrans-56.7-41.7-174.8-177.458.8000112.5I119 R122 Y125 D296 S300 V301 S302I119-L298 HydrophobicContact CG2-CD1 4.09Å; I119-L298 WeakPolarHBondContact O-CD1 3.32Å; R122-L298 VanDerWaalsContact O-CD2 3.22Å; R122-L298 WeakPolarHBondContact O-CD2 3.42Å; Y125-L298 PolarHBondContact O-N 3.38Å; D296-L298 WeakPolarHBondContact OD1-CB 3.36Å; D296-L298 PolarHBondContact OD1-N 3.08Å; L298-S300 PolarHBondContact O-N 3.04Å; L298-V301 PolarHBondContact O-N 2.89Å; L298-S302 WeakPolarHBondContact O-CB 3.06Å; L298-S302 PolarHBondContact O-N 3.22Å; L298-S302 PolarHBondContact O-OG 3.5Å
299G89.9Confident89.9Confident52 Ų5260.1 Ų60.154%0.53632%0.32SS..Hα-helixtrans-57.1-51-17700000113.1I297 S302 E303I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 3.22Å; G299-S302 PolarHBondContact O-OG 2.91Å; G299-E303 PolarHBondContact O-N 2.67Å
300S90.5Very high88.1Confident49 Ų4961.1 Ų61.134%0.34333%0.325SS..Hα-helixtrans-71.1-44.2179.153.80000112I297 L298 Q304I297-S300 PolarHBondContact O-N 2.83Å; I297-S300 PolarHBondContact O-OG 3.48Å; I297-S300 VanDerWaalsContact O-OG 3.12Å; L298-S300 PolarHBondContact O-N 3.04Å; S300-Q304 WeakPolarHBondContact O-CG 3.47Å; S300-Q304 PolarHBondContact O-N 2.69Å
301V90.4Very high86Confident0 Ų065.1 Ų65.10%033%0.328CS..Hα-helixtrans-63.2-47.7-178.9172.20000111.2L223 I297 L298 E303 Q304 I305L223-V301 VanDerWaalsContact O-CG2 3.26Å; L223-V301 WeakPolarHBondContact O-CG2 3.43Å; I297-V301 HydrophobicContact CB-CG2 4.31Å; I297-V301 HydrophobicContact CD1-CG2 4.04Å; I297-V301 HydrophobicContact CG1-CG2 4.07Å; I297-V301 WeakPolarHBondContact O-CB 3.46Å; I297-V301 WeakPolarHBondContact O-CG2 3.33Å; I297-V301 PolarHBondContact O-N 3.33Å; I297-V301 VanDerWaalsContact O-N 3.11Å; L298-V301 PolarHBondContact O-N 2.89Å; V301-E303 PolarHBondContact O-N 3.48Å; V301-Q304 PolarHBondContact O-N 3.32Å; V301-I305 HydrophobicContact CG1-CD1 3.63Å; V301-I305 HydrophobicContact CG1-CG1 4.18Å; V301-I305 WeakPolarHBondContact O-CG1 3.47Å; V301-I305 PolarHBondContact O-N 2.66Å
302S88.1Confident83.7Confident23 Ų2367.6 Ų67.616%0.16134%0.338CS..Hα-helixtrans-64.2-39.4-177.463.90000112.7M120 L298 G299 Q304 I305 Q306M120-S302 VanDerWaalsContact SD-CA 3.52Å; M120-S302 VanDerWaalsContact SD-CB 3.5Å; L298-S302 WeakPolarHBondContact O-CB 3.06Å; L298-S302 PolarHBondContact O-N 3.22Å; L298-S302 PolarHBondContact O-OG 3.5Å; G299-S302 PolarHBondContact O-OG 2.91Å; S302-Q304 VanDerWaalsContact C-N 3.33Å; S302-Q304 PolarHBondContact O-N 3Å; S302-I305 PolarHBondContact O-N 3.38Å; S302-Q306 WeakPolarHBondContact O-CB 3.35Å; S302-Q306 WeakPolarHBondContact O-CG 3.33Å; S302-Q306 PolarHBondContact O-N 3.36Å
303E89.6Confident81.4Confident93 Ų9369.9 Ų69.944%0.43535%0.347SS..Hα-helixtrans-61.3-43174.9-173.8-176.9-177.900111.1G299 V301 Q306 K307G299-E303 PolarHBondContact O-N 2.67Å; V301-E303 PolarHBondContact O-N 3.48Å; E303-Q306 PolarHBondContact O-N 3.27Å; E303-K307 HydrophobicContact CG-CD 4.35Å; E303-K307 WeakPolarHBondContact O-CG 3.45Å; E303-K307 PolarHBondContact O-N 3.4Å; E303-K307 VanDerWaalsContact OE1-CE 3.3Å; E303-K307 WeakPolarHBondContact OE1-CE 3.28Å; E303-K307 IonicContact OE1-NZ 2.63Å; E303-K307 PolarHBondContact OE1-NZ 3.47Å
304Q89.5Confident78.1Confident21 Ų2176 Ų7610%0.09837%0.368CS..Hα-helixtrans-71.2-40.8178.2-66.2-54.9-38.800112.2C224 G225 Y226 F252 S300 V301 S302 Q306 K307 N308C224-Q304 VanDerWaalsContact O-CB 3.28Å; C224-Q304 WeakPolarHBondContact O-CB 3.44Å; C224-Q304 WeakPolarHBondContact O-CG 3.46Å; G225-Q304 CarbonylContact O-C 3.15Å; G225-Q304 WeakPolarHBondContact O-CB 3.28Å; Y226-Q304 HydrophobicContact CD1-CG 4.36Å; F252-Q304 HydrophobicContact CD1-CG 4.21Å; F252-Q304 HydrophobicContact CE1-CG 4.08Å; F252-Q304 VanDerWaalsContact CE1-NE2 3.29Å; S300-Q304 WeakPolarHBondContact O-CG 3.47Å; S300-Q304 PolarHBondContact O-N 2.69Å; V301-Q304 PolarHBondContact O-N 3.32Å; S302-Q304 VanDerWaalsContact C-N 3.33Å; S302-Q304 PolarHBondContact O-N 3Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 3.06Å; Q304-K307 PolarHBondContact O-N 3.41Å; Q304-N308 WeakPolarHBondContact O-CB 3.5Å; Q304-N308 PolarHBondContact O-N 3.38Å; Q304-N308 PolarHBondContact O-ND2 2.81Å; Q304-N308 PolarHBondContact OE1-ND2 3.31Å
305I86.2Confident75.2Confident6 Ų679.9 Ų79.93%0.03138%0.379CS..Hα-helixtrans-58.8-46.2174.5-71175.7000109.4F116 I119 M120 G225 V301 S302 K307 F309F116-I305 HydrophobicContact CB-CG2 4.17Å; F116-I305 HydrophobicContact CD1-CD1 3.81Å; F116-I305 HydrophobicContact CE1-CD1 4.38Å; F116-I305 HydrophobicContact CG-CD1 4.32Å; I119-I305 HydrophobicContact CG2-CD1 4.49Å; M120-I305 HydrophobicContact CG-CG2 4.2Å; M120-I305 HydrophobicContact SD-CB 4Å; M120-I305 HydrophobicContact SD-CG2 3.9Å; G225-I305 PolarHBondContact O-N 2.61Å; V301-I305 HydrophobicContact CG1-CD1 3.63Å; V301-I305 HydrophobicContact CG1-CG1 4.18Å; V301-I305 WeakPolarHBondContact O-CG1 3.47Å; V301-I305 PolarHBondContact O-N 2.66Å; S302-I305 PolarHBondContact O-N 3.38Å; I305-K307 PolarHBondContact O-N 3.06Å; I305-F309 HydrophobicContact CG2-CB 4.46Å; I305-F309 HydrophobicContact CG2-CD2 4.46Å; I305-F309 WeakPolarHBondContact O-CA 2.82Å; I305-F309 WeakPolarHBondContact O-CB 3.34Å; I305-F309 WeakPolarHBondContact O-CD2 3.49Å; I305-F309 PolarHBondContact O-N 3.22Å
306Q84.4Confident72.8Confident117 Ų11780.6 Ų80.655%0.54738%0.382SS..Hα-helixtrans-59.4-48.1175.8-74.4178.24.700111.5M120 S302 E303 Q304 A310M120-Q306 HydrophobicContact CE-CG 3.45Å; M120-Q306 VanDerWaalsContact CE-CG 3.45Å; M120-Q306 HydrophobicContact SD-CG 4.46Å; S302-Q306 WeakPolarHBondContact O-CB 3.35Å; S302-Q306 WeakPolarHBondContact O-CG 3.33Å; S302-Q306 PolarHBondContact O-N 3.36Å; E303-Q306 PolarHBondContact O-N 3.27Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 3.06Å; Q306-A310 WeakPolarHBondContact O-CA 3.36Å; Q306-A310 WeakPolarHBondContact O-CB 3.43Å; Q306-A310 PolarHBondContact O-N 2.9Å
307K84.6Confident69.8Low125 Ų12580.3 Ų80.354%0.54339%0.391SS..Hα-helixtrans-64.2-45.6-178.4-73.8172.9-174.6170.60113.1E303 Q304 I305E303-K307 HydrophobicContact CG-CD 4.35Å; E303-K307 WeakPolarHBondContact O-CG 3.45Å; E303-K307 PolarHBondContact O-N 3.4Å; E303-K307 VanDerWaalsContact OE1-CE 3.3Å; E303-K307 WeakPolarHBondContact OE1-CE 3.28Å; E303-K307 IonicContact OE1-NZ 2.63Å; E303-K307 PolarHBondContact OE1-NZ 3.47Å; Q304-K307 PolarHBondContact O-N 3.41Å; I305-K307 PolarHBondContact O-N 3.06Å
308N78.6Confident67.2Low60 Ų6083.9 Ų83.932%0.32141%0.406SS..Hα-helixtrans-84.5-28.8-171.5-67.4-74.1000112.5Y226 Q304Y226-N308 WeakPolarHBondContact CB-ND2 3.37Å; Q304-N308 WeakPolarHBondContact O-CB 3.5Å; Q304-N308 PolarHBondContact O-N 3.38Å; Q304-N308 PolarHBondContact O-ND2 2.81Å; Q304-N308 PolarHBondContact OE1-ND2 3.31Å
309F73.5Confident64.7Low9 Ų987 Ų874%0.03942%0.424CS..Hα-helixtrans-113.8-5.3-173.7-56-108.2000112.8F116 I221 G225 I305 R311 M312 H313F116-F309 HydrophobicContact CD2-CD1 4.27Å; F116-F309 HydrophobicContact CD2-CE1 4.47Å; F116-F309 HydrophobicContact CE2-CD1 4.17Å; F116-F309 AromaticContact CE2-CE1 3.91Å; F116-F309 HydrophobicContact CE2-CE1 3.91Å; F116-F309 HydrophobicContact CE2-CZ 4.33Å; I221-F309 HydrophobicContact CD1-CZ 4.14Å; I221-F309 HydrophobicContact CG1-CZ 4.42Å; I221-F309 HydrophobicContact CG2-CE2 3.99Å; I221-F309 HydrophobicContact CG2-CZ 3.77Å; G225-F309 WeakPolarHBondContact O-CE2 3.46Å; I305-F309 HydrophobicContact CG2-CB 4.46Å; I305-F309 HydrophobicContact CG2-CD2 4.46Å; I305-F309 WeakPolarHBondContact O-CA 2.82Å; I305-F309 WeakPolarHBondContact O-CB 3.34Å; I305-F309 WeakPolarHBondContact O-CD2 3.49Å; I305-F309 PolarHBondContact O-N 3.22Å; F309-R311 PolarHBondContact O-N 2.87Å; F309-M312 HydrophobicContact CB-CE 3.94Å; F309-M312 HydrophobicContact CD1-CE 3Å; F309-M312 HydrophobicContact CE1-CE 3.57Å; F309-M312 HydrophobicContact CG-CE 3.71Å; F309-M312 PolarHBondContact O-N 3.19Å; F309-H313 PolarHBondContact O-CD2 3.2Å; F309-H313 VanDerWaalsContact O-CD2 3.23Å; F309-H313 PolarHBondContact O-N 2.84Å
310A54.9Low62.3Low49 Ų4987 Ų8741%0.40542%0.418SS..Hα-helixtrans-53.8-29.9177.300000114.4Q306 M312Q306-A310 WeakPolarHBondContact O-CA 3.36Å; Q306-A310 WeakPolarHBondContact O-CB 3.43Å; Q306-A310 PolarHBondContact O-N 2.9Å; A310-M312 VanDerWaalsContact C-N 3.33Å
311R47.1Very low59.7Low247 Ų24788.3 Ų88.393%0.93242%0.424SS*.Hα-helixtrans-73.9-21.2176.3-75.8-175.7173.1175.70.2113.6F309F309-R311 PolarHBondContact O-N 2.87Å
312M49.2Very low57.3Low97 Ų9790.3 Ų90.348%0.47844%0.438SS..Hα-helixtrans-89.9-25-179.8-64.3-168.5-72.800112.9F309 A310F309-M312 HydrophobicContact CB-CE 3.94Å; F309-M312 HydrophobicContact CD1-CE 3Å; F309-M312 HydrophobicContact CE1-CE 3.57Å; F309-M312 HydrophobicContact CG-CE 3.71Å; F309-M312 PolarHBondContact O-N 3.19Å; A310-M312 VanDerWaalsContact C-N 3.33Å
313H46.8Very low55.2Low56 Ų5690.8 Ų90.826%0.25944%0.437SS..Hα-helixtrans-101.1-2.8-168.7-71.1-79.5000116.8E114 D117 F309 K315E114-H313 IonicContact OE2-CE1 3.3Å; D117-H313 IonicContact OD1-CE1 3.81Å; D117-H313 IonicContact OD1-CG 3.24Å; D117-H313 IonicContact OD1-ND1 3.88Å; D117-H313 PolarHBondContact OD1-ND1 2.87Å; F309-H313 PolarHBondContact O-CD2 3.2Å; F309-H313 VanDerWaalsContact O-CD2 3.23Å; F309-H313 PolarHBondContact O-N 2.84Å; H313-K315 PolarHBondContact O-N 3.46Å
314W28.5Very low53Low232 Ų23290.6 Ų90.688%0.87944%0.439SS*.THydrogen-bonded Turntrans-80.785.2176.2-89.946.4000112.1
315K34.8Very low50.8Low196 Ų19697.9 Ų97.985%0.85247%0.465SS*.THydrogen-bonded Turntrans115.256.4164.6-63.4177.5177.3176.50117H313H313-K315 PolarHBondContact O-N 3.46Å
316R41.2Very low49Very low146 Ų146100.6 Ų100.655%0.55148%0.478SS*.  trans-128.650.5139.4-74.5-168178.9167.65.9110.9S40 F318S40-R316 PolarHBondContact O-NH2 3.21Å; R316-F318 PolarHBondContact O-N 3.22Å
317A32.6Very low47.5Very low79 Ų7999 Ų9965%0.65347%0.472SS*.  trans-63.479.1165.800000109.4N319A317-N319 PolarHBondContact O-N 2.86Å
318F38.7Very low45.7Very low85 Ų85102.3 Ų102.337%0.37348%0.481SS..  trans-73.684.2153.5-160.7-105.8000106.3E36 L38 R316 A320 F323E36-F318 HydrophobicContact CG-CE2 3.71Å; E36-F318 HydrophobicContact CG-CZ 4.44Å; E36-F318 WeakPolarHBondContact OE1-CE2 3.5Å; E36-F318 VanDerWaalsContact OE1-CZ 3.23Å; E36-F318 WeakPolarHBondContact OE1-CZ 3.25Å; L38-F318 HydrophobicContact CD2-CD2 4.5Å; L38-F318 HydrophobicContact CD2-CE2 4.43Å; R316-F318 PolarHBondContact O-N 3.22Å; F318-A320 PolarHBondContact O-N 3.3Å; F318-F323 HydrophobicContact CE1-CB 3.88Å; F318-F323 HydrophobicContact CE1-CD2 4.41Å; F318-F323 HydrophobicContact CE1-CG 4.48Å; F318-F323 HydrophobicContact CZ-CB 4.44Å
319N40.1Very low44.2Very low86 Ų86107 Ų10746%0.4650%0.499SS..  trans-37.6104.2168.1-78.6-43.2000109.6A317 T321 S322 F323A317-N319 PolarHBondContact O-N 2.86Å; N319-T321 VanDerWaalsContact CB-OG1 3.31Å; N319-T321 WeakPolarHBondContact CB-OG1 3.38Å; N319-T321 PolarHBondContact O-N 2.61Å; N319-S322 WeakPolarHBondContact O-CA 3.41Å; N319-S322 WeakPolarHBondContact O-CB 3.38Å; N319-S322 PolarHBondContact O-N 3.4Å; N319-F323 PolarHBondContact O-N 3.33Å; N319-F323 VanDerWaalsContact O-N 3.17Å
320A38.3Very low42.8Very low50 Ų50110.6 Ų110.641%0.41352%0.518SS..Hα-helixtrans-48.2-29.1160.100000110F318 L324F318-A320 PolarHBondContact O-N 3.3Å; A320-L324 VanDerWaalsContact O-CB 3.23Å; A320-L324 WeakPolarHBondContact O-CB 3.14Å; A320-L324 WeakPolarHBondContact O-CD1 3.1Å; A320-L324 WeakPolarHBondContact O-CG 3.28Å; A320-L324 PolarHBondContact O-N 3.48Å
321T36.4Very low42.1Very low78 Ų78111.6 Ų111.648%0.47953%0.533SS..Hα-helixtrans-67.2-29.8170.857.30000115.2N319 R325N319-T321 VanDerWaalsContact CB-OG1 3.31Å; N319-T321 WeakPolarHBondContact CB-OG1 3.38Å; N319-T321 PolarHBondContact O-N 2.61Å; T321-R325 WeakPolarHBondContact O-CB 3.2Å; T321-R325 PolarHBondContact O-N 3.3Å
322S39.6Very low41.7Very low42 Ų42107.2 Ų107.229%0.29452%0.523SS..Hα-helixtrans-76.1-43.1174.1-170.30000110.9N319 R325 H326N319-S322 WeakPolarHBondContact O-CA 3.41Å; N319-S322 WeakPolarHBondContact O-CB 3.38Å; N319-S322 PolarHBondContact O-N 3.4Å; S322-R325 PolarHBondContact O-N 2.87Å; S322-H326 WeakPolarHBondContact O-CB 3.5Å; S322-H326 PolarHBondContact O-N 3.12Å
323F44.9Very low40.9Very low33 Ų33107.3 Ų107.315%0.14553%0.533CS..Hα-helixtrans-63.2-48.2173.9-178.3-105.7000112.3L57 L109 T111 F318 N319 R325 H326 I327L57-F323 HydrophobicContact CD1-CE2 4.28Å; L109-F323 HydrophobicContact CD2-CE2 4.37Å; T111-F323 HydrophobicContact CG2-CD2 4.37Å; T111-F323 HydrophobicContact CG2-CE1 4.03Å; T111-F323 HydrophobicContact CG2-CE2 3.85Å; T111-F323 HydrophobicContact CG2-CZ 3.66Å; F318-F323 HydrophobicContact CE1-CB 3.88Å; F318-F323 HydrophobicContact CE1-CD2 4.41Å; F318-F323 HydrophobicContact CE1-CG 4.48Å; F318-F323 HydrophobicContact CZ-CB 4.44Å; N319-F323 PolarHBondContact O-N 3.33Å; N319-F323 VanDerWaalsContact O-N 3.17Å; F323-R325 VanDerWaalsContact C-N 3.3Å; F323-R325 PolarHBondContact O-N 3.47Å; F323-H326 WeakPolarHBondContact O-CA 3.33Å; F323-H326 WeakPolarHBondContact O-CB 3.46Å; F323-H326 PolarHBondContact O-N 2.88Å; F323-I327 HydrophobicContact CD1-CD1 3.95Å; F323-I327 HydrophobicContact CE1-CD1 3.3Å; F323-I327 HydrophobicContact CE1-CG1 4.25Å; F323-I327 HydrophobicContact CE2-CD1 4.29Å; F323-I327 HydrophobicContact CZ-CD1 3.5Å; F323-I327 VanDerWaalsContact CZ-CD1 3.5Å; F323-I327 HydrophobicContact CZ-CG1 4.21Å; F323-I327 PolarHBondContact O-N 2.96Å
324L43.9Very low40.5Very low89 Ų89111 Ų11147%0.46656%0.562SS.*Hα-helixtrans-61.7-36.4174.1-73.7169.5000112.2A320 H326 R328A320-L324 VanDerWaalsContact O-CB 3.23Å; A320-L324 WeakPolarHBondContact O-CB 3.14Å; A320-L324 WeakPolarHBondContact O-CD1 3.1Å; A320-L324 WeakPolarHBondContact O-CG 3.28Å; A320-L324 PolarHBondContact O-N 3.48Å; L324-H326 VanDerWaalsContact C-N 3.33Å; L324-R328 WeakPolarHBondContact O-CB 3.3Å; L324-R328 WeakPolarHBondContact O-CG 3.32Å; L324-R328 PolarHBondContact O-N 3.37Å
325R43.5Very low40.8Very low173 Ų173108.8 Ų108.865%0.65356%0.562SS**Hα-helixtrans-67.1-35.4173.4-172.2-175-57167.21.8111.3T321 S322 F323 K329T321-R325 WeakPolarHBondContact O-CB 3.2Å; T321-R325 PolarHBondContact O-N 3.3Å; S322-R325 PolarHBondContact O-N 2.87Å; F323-R325 VanDerWaalsContact C-N 3.3Å; F323-R325 PolarHBondContact O-N 3.47Å; R325-K329 WeakPolarHBondContact O-CB 3.36Å; R325-K329 PolarHBondContact O-N 3.34Å
326H47Very low40.9Very low63 Ų63104 Ų10429%0.29256%0.559SS.*Hα-helixtrans-72.7-41.9177.7-151.1107.9000112.2R35 S322 F323 L324 K329 L330R35-H326 PolarHBondContact NH1-CD2 2.94Å; R35-H326 VanDerWaalsContact NH1-CD2 3.3Å; R35-H326 PolarHBondContact NH1-CE1 3.48Å; R35-H326 PolarHBondContact NH1-NE2 3.4Å; R35-H326 PolarHBondContact NH2-NE2 2.91Å; S322-H326 WeakPolarHBondContact O-CB 3.5Å; S322-H326 PolarHBondContact O-N 3.12Å; F323-H326 WeakPolarHBondContact O-CA 3.33Å; F323-H326 WeakPolarHBondContact O-CB 3.46Å; F323-H326 PolarHBondContact O-N 2.88Å; L324-H326 VanDerWaalsContact C-N 3.33Å; H326-K329 PolarHBondContact O-N 2.63Å; H326-L330 PolarHBondContact O-N 2.84Å
327I53.2Low40.4Very low83 Ų83107 Ų10743%0.42658%0.579SS.*Hα-helixtrans-61.1-44.7171.5-71.4-179.4000110.9F323 K329 L330 G331F323-I327 HydrophobicContact CD1-CD1 3.95Å; F323-I327 HydrophobicContact CE1-CD1 3.3Å; F323-I327 HydrophobicContact CE1-CG1 4.25Å; F323-I327 HydrophobicContact CE2-CD1 4.29Å; F323-I327 HydrophobicContact CZ-CD1 3.5Å; F323-I327 VanDerWaalsContact CZ-CD1 3.5Å; F323-I327 HydrophobicContact CZ-CG1 4.21Å; F323-I327 PolarHBondContact O-N 2.96Å; I327-K329 PolarHBondContact O-N 3.17Å; I327-L330 PolarHBondContact O-N 3.4Å; I327-G331 PolarHBondContact O-N 3.46Å
328R47Very low40.3Very low195 Ų195106.9 Ų106.974%0.73659%0.586SS**Hα-helixtrans-61.5-33.6175.2-79.8-178.4179.4174.91.5112.6L324L324-R328 WeakPolarHBondContact O-CB 3.3Å; L324-R328 WeakPolarHBondContact O-CG 3.32Å; L324-R328 PolarHBondContact O-N 3.37Å
329K46.2Very low39.8Very low160 Ų160107.6 Ų107.670%0.69661%0.607SS**Hα-helixtrans-76.3-33.3178.1-155.8176.7-176.2-173.50112.5R325 H326 I327R325-K329 WeakPolarHBondContact O-CB 3.36Å; R325-K329 PolarHBondContact O-N 3.34Å; H326-K329 PolarHBondContact O-N 2.63Å; I327-K329 PolarHBondContact O-N 3.17Å
330L44.3Very low39.3Very low83 Ų83109.4 Ų109.444%0.43563%0.627SS.*Hα-helixtrans-73.6-32172.8-78.1165.6000112.7H326 I327 Q332H326-L330 PolarHBondContact O-N 2.84Å; I327-L330 PolarHBondContact O-N 3.4Å; L330-Q332 PolarHBondContact O-N 2.87Å
331G41.3Very low39.1Very low71 Ų71116.3 Ų116.373%0.73265%0.65SS**THydrogen-bonded Turntrans-74-517400000114.8I327I327-G331 PolarHBondContact O-N 3.46Å
332Q37.8Very low38.9Very low154 Ų154121.9 Ų121.972%0.7267%0.671SS**  trans-112.279.9174-70.6180-4.100109.3L330L330-Q332 PolarHBondContact O-N 2.87Å
333S33Very low38.3Very low99 Ų99123 Ų12369%0.69269%0.689SS**  trans-82137.6159-63.20000108.8E335S333-E335 PolarHBondContact O-N 2.93Å
334P38.2Very low37.6Very low133 Ų133130.1 Ų130.186%0.86473%0.728SS**  trans-7990.6-179.631.5-30.5000109
335E34.5Very low36.9Very low186 Ų186129.8 Ų129.887%0.86974%0.738SS**  trans-96.7125.1159.8-76.6-168.3160.200109.6S333S333-E335 PolarHBondContact O-N 2.93Å
336A36.8Very low36.3Very low95 Ų95132.2 Ų132.279%0.78575%0.747SS**  trans79.875167.500000118.1
337E31.7Very low35.5Very low209 Ų209138 Ų13898%0.97777%0.774SS**  trans-139.896.9131.6-78.6-162.8161.400110
338G29.8Very low34.4Very low77 Ų77138.1 Ų138.179%0.79478%0.782SS**  trans-168.277.417500000110.2
339A29.5Very low33.7Very low100 Ų100137 Ų13783%0.82679%0.785SS**  trans166.810114200000111.3
340S29.6Very low32.9Very low125 Ų125134.3 Ų134.387%0.87479%0.786SS**  trans-175.787.3132.953.10000109.9
341E33.5Very low32.2Very low194 Ų194134.1 Ų134.191%0.90780%0.804SS**  trans-80123.5148.4-87.6-173145.400107.8
342Q31.3Very low31.8Very low195 Ų195138 Ų13891%0.91181%0.807SS**  trans-157.1130.3141.8-108.4172.238.400109.2
343G27.7Very low31.6Very low66 Ų66138.2 Ų138.268%0.6881%0.808SS**  trans-63167.2-163.900000116.8
344L29.1Very low31.6Very low183 Ų183139.6 Ų139.696%0.95881%0.813SS**  -170.1166.399-120.987.7000111
345A29.6Very low31.3Very low81 Ų81137 Ų13767%0.66981%0.81SS**  trans-79157.6-161.400000116.1
346R31.2Very low31.5Very low225 Ų225137.5 Ų137.585%0.84981%0.812SS**  trans49.2126.8141.2-69.4174.3-179.4-174.2-0.8118.5
347H30.3Very low31.8Very low184 Ų184138.1 Ų138.185%0.85281%0.809SS**  -170.4140108.4-98.5-69.8000112.4
348S31Very low32.7Very low86 Ų86134.1 Ų134.160%0.60180%0.801SS**  trans-66142.916846.10000113.3
349H30.9Very low33.1Very low172 Ų172139.5 Ų139.580%0.79680%0.802SS**  178.5136.1116.5-105.6-74.6000114.6
350S30.5Very low33.7Very low103 Ų103150.4 Ų150.472%0.7282%0.822SS**  trans-2.1142.6148.554.10000122.1
351G30Very low33.9Very low79 Ų79151.7 Ų151.781%0.81482%0.819SS**  trans178.4106150.200000114
352L31.6Very low33.9Very low152 Ų152149.4 Ų149.480%0.79682%0.815SS**  trans-66.7149.3169.6-79.188.7000112.4
353H33.1Very low34.1Very low159 Ų159146.9 Ų146.974%0.73681%0.81SS**  158.1107.3122.5-93.5-67.1000111.2
354T34.3Very low34.4Very low128 Ų128151.6 Ų151.679%0.78582%0.817SS**  59.4116.3102.661.40000116.6
355G31.6Very low34.8Very low79 Ų79149.7 Ų149.781%0.81481%0.808SS**  trans177.7102.8163.100000112.3
356Q38.1Very low35.1Very low195 Ų195154.3 Ų154.391%0.91182%0.818SS**PPolyproline II helixtrans-64.9167.1179.2-100.4178.7-23.400114.6
357P44.5Very low35.4Very low109 Ų109149.2 Ų149.271%0.70882%0.815SS**PPolyproline II helixtrans-96.3168-169.339.2-33.4000112.9
358P49.8Very low35.8Very low125 Ų125146.5 Ų146.581%0.81281%0.813SS**PPolyproline II helixtrans-98.3130.8158.627.8-14.1000111.6
359K38.3Very low36.2Very low189 Ų189151.6 Ų151.682%0.82283%0.83SS**PPolyproline II helixtrans-66.3141.2156-65.9175.1173.8-178.90109.3
360W41.8Very low36.7Very low329 Ų329149.7 Ų149.7100%1.24683%0.833SS**  -146.80119.3-81.598.8000107.9

Retrieved 360 of 360 residues in 72.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).