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Adhesion G-protein coupled receptor G1

Adhesion G-protein coupled receptor (aGPCR) for steroid hormone 17alpha-hydroxypregnenolone (17-OH), which is involved in cell adhesion and cell-cell interactions1,2. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of downstream effectors, such as RhoA pathway3. ADGRG1 is coupled to G(12) and/or G(13) G proteins (GNA12 and GNA13, respectively) and mediates the activation Rho small GTPases4,5,6. Acts as a potent suppressor of ferroptosis: binding to 17-OH-binding initiates signaling that down-regulates CD36 and alleviates ferroptosis-induced liver injury7. Ligand-binding also induces cell adhesion activity via association with proteins such as collagen III/COL3A1 and TGM2 (By similarity). Mediates cell matrix adhesion in developing neurons and hematopoietic stem cells8. Involved in cortical development, specifically in maintenance of the pial basement membrane integrity and in cortical lamination: association with COL3A1 in the developing brain inhibits neuronal migration via activation of the RhoA pathway9,10,11. Together with TGM2, acts as a regulator of myelination and myelin repair in oligodendrocyte precursor cells12. Acts as a hemostatic sensor of shear force: G protein-coupled receptor signaling is activated in response to shear force in platelets, promoting G(13) G protein signaling, and platelet shape change and aggregation in a COL3A1-dependent manner13. Acts as an inhibitor of VEGFA production thereby inhibiting angiogenesis through a signaling pathway mediated by PRKCA (By similarity). Plays a role in the maintenance of hematopoietic stem cells in bone marrow niche14. Plays an essential role in testis development15. Adhesion G-protein coupled receptor (aGPCR) for phosphatidylserine, which is involved in microglia-mediated synapse pruning during development16. Required to maintain appropriate synaptic numbers in several brain regions in a time- and circuit-dependent fashion: phosphatidylserine-binding acts as a 'eat-me' signal for apoptotic cells, leading to microglial engulfment of phosphatidylserine-positive synapses17.

AlphaFold DB , UniProt , Accession Q8K209, Species MOUSE (Mus musculus, Mouse), Gene Adgrg1, Length 687 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.8Low62.3Low210 Ų210130.5 Ų130.5100%1.03466%0.662SS**  0-39.80-69-128.9-84.400113.7V3 Q4M1-V3 PolarHBondContact O-N 3.28Å; M1-Q4 PolarHBondContact O-N 3.35Å
2A56.8Low62.3Low82 Ų82131.3 Ų131.368%0.67866%0.659SS**Hα-helixtrans-62.9-32.418000000115.8Q4 L6A2-Q4 PolarHBondContact O-N 2.84Å; A2-L6 PolarHBondContact O-N 3.14Å
3V60.5Low62Low125 Ų125128.8 Ų128.876%0.75865%0.648SS**Hα-helixtrans-74.4-27.2-176.1-178.30000112.9M1 R7M1-V3 PolarHBondContact O-N 3.28Å; V3-R7 PolarHBondContact O-N 3.21Å
4Q63.1Low61.3Low151 Ų151126.9 Ų126.971%0.70664%0.639SS**Hα-helixtrans-79.5-33.3178.9-132.3149.6-28.600111.7M1 A2 R7 Q8M1-Q4 PolarHBondContact O-N 3.35Å; A2-Q4 PolarHBondContact O-N 2.84Å; Q4-R7 PolarHBondContact O-N 3.22Å; Q4-Q8 PolarHBondContact O-N 3.42Å; Q4-Q8 VanDerWaalsContact O-N 3.09Å
5V65.3Low60.5Low90 Ų90122.1 Ų122.155%0.54562%0.622SS.*Hα-helixtrans-65.5-43.9173.3178.30000110.5R7 Q8 M9V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.35Å; V5-Q8 PolarHBondContact O-N 2.86Å; V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 PolarHBondContact O-N 3.31Å
6L62.8Low59.5Low121 Ų121121.2 Ų121.263%0.63462%0.619SS**Hα-helixtrans-63.7-38.1179.4-151.881.2000112.3A2 M9 V10A2-L6 PolarHBondContact O-N 3.14Å; L6-M9 PolarHBondContact O-N 3.11Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.34Å; L6-V10 PolarHBondContact O-N 2.98Å
7R64Low58.6Low173 Ų173124.5 Ų124.565%0.65363%0.628SS**Hα-helixtrans-71.6-40.2179.4-157172.8179.4175.3-1.4111.8V3 Q4 V5 M9 V10 Y11V3-R7 PolarHBondContact O-N 3.21Å; Q4-R7 PolarHBondContact O-N 3.22Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.35Å; R7-M9 VanDerWaalsContact C-N 3.35Å; R7-V10 PolarHBondContact O-N 3.5Å; R7-Y11 HydrophobicContact CG-CD2 4.28Å; R7-Y11 HydrophobicContact CG-CE2 3.93Å; R7-Y11 WeakPolarHBondContact O-CD2 3.31Å; R7-Y11 PolarHBondContact O-N 2.98Å; R7-Y11 VanDerWaalsContact O-N 3.11Å
8Q65.5Low57.5Low144 Ų144122.8 Ų122.867%0.67363%0.63SS**Hα-helixtrans-65-37.1171.3-87.4177.8-29.800112.3Q4 V5 Y11 F12Q4-Q8 PolarHBondContact O-N 3.42Å; Q4-Q8 VanDerWaalsContact O-N 3.09Å; V5-Q8 PolarHBondContact O-N 2.86Å; Q8-Y11 PolarHBondContact O-N 2.86Å; Q8-F12 WeakPolarHBondContact O-CB 3.47Å; Q8-F12 PolarHBondContact O-N 3.36Å
9M62.8Low56.2Low118 Ų118123.9 Ų123.958%0.58164%0.636SS**Hα-helixtrans-66.6-36.8177.3-136.4-178168.800112.2V5 L6 R7 F12 L13V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 PolarHBondContact O-N 3.31Å; L6-M9 PolarHBondContact O-N 3.11Å; R7-M9 VanDerWaalsContact C-N 3.35Å; M9-F12 PolarHBondContact O-N 2.91Å; M9-L13 WeakPolarHBondContact O-CB 3.46Å; M9-L13 WeakPolarHBondContact O-CG 3.27Å; M9-L13 PolarHBondContact O-N 2.92Å
10V68.1Low54.9Low74 Ų74123.9 Ų123.945%0.44864%0.642SS.*Hα-helixtrans-69-40.4175.21710000111.5L6 R7 F12 L13 L14L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.34Å; L6-V10 PolarHBondContact O-N 2.98Å; R7-V10 PolarHBondContact O-N 3.5Å; V10-F12 VanDerWaalsContact C-N 3.33Å; V10-L13 PolarHBondContact O-N 3.09Å; V10-L14 HydrophobicContact CG1-CD1 3.76Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.49Å
11Y63.8Low53.8Low147 Ų147127.1 Ų127.158%0.57665%0.654SS**Hα-helixtrans-66.9-33.7171.9-77.2-68.6000112.5R7 Q8 L14 S15R7-Y11 HydrophobicContact CG-CD2 4.28Å; R7-Y11 HydrophobicContact CG-CE2 3.93Å; R7-Y11 WeakPolarHBondContact O-CD2 3.31Å; R7-Y11 PolarHBondContact O-N 2.98Å; R7-Y11 VanDerWaalsContact O-N 3.11Å; Q8-Y11 PolarHBondContact O-N 2.86Å; Y11-L14 PolarHBondContact O-N 3.13Å; Y11-S15 WeakPolarHBondContact O-CB 3.18Å; Y11-S15 PolarHBondContact O-N 3.28Å; Y11-S15 PolarHBondContact O-OG 3.45Å
12F62.1Low52.6Low141 Ų141120.7 Ų120.762%0.61864%0.642SS**Hα-helixtrans-68.6-42.5174.9-150.4-97.6000111.4Q8 M9 V10 S15 L16Q8-F12 WeakPolarHBondContact O-CB 3.47Å; Q8-F12 PolarHBondContact O-N 3.36Å; M9-F12 PolarHBondContact O-N 2.91Å; V10-F12 VanDerWaalsContact C-N 3.33Å; F12-S15 WeakPolarHBondContact CA-OG 3.23Å; F12-S15 PolarHBondContact O-N 3.48Å; F12-S15 PolarHBondContact O-OG 3.23Å; F12-L16 HydrophobicContact CD1-CD1 3.57Å; F12-L16 HydrophobicContact CE1-CD1 3.77Å; F12-L16 WeakPolarHBondContact O-CB 3.48Å; F12-L16 PolarHBondContact O-N 2.9Å
13L58.4Low51.1Low98 Ų98121 Ų12151%0.51364%0.644SS.*Hα-helixtrans-66-36.3174-80.7159.2000112.7M9 V10 L16 F17M9-L13 WeakPolarHBondContact O-CB 3.46Å; M9-L13 WeakPolarHBondContact O-CG 3.27Å; M9-L13 PolarHBondContact O-N 2.92Å; V10-L13 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-F17 PolarHBondContact O-N 3.18Å
14L52.8Low49.5Very low102 Ų102123.9 Ų123.953%0.53465%0.649SS.*Hα-helixtrans-71.7-32.6173.3-81.1155000112.2V10 Y11 F17 S18V10-L14 HydrophobicContact CG1-CD1 3.76Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.49Å; Y11-L14 PolarHBondContact O-N 3.13Å; L14-F17 PolarHBondContact O-N 3.37Å; L14-S18 PolarHBondContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 3.07Å
15S49.2Very low47.7Very low55 Ų55122.7 Ų122.739%0.38566%0.658SS.*Hα-helixtrans-72.9-29.8170.467.30000113.3Y11 F12 S18 L19Y11-S15 WeakPolarHBondContact O-CB 3.18Å; Y11-S15 PolarHBondContact O-N 3.28Å; Y11-S15 PolarHBondContact O-OG 3.45Å; F12-S15 WeakPolarHBondContact CA-OG 3.23Å; F12-S15 PolarHBondContact O-N 3.48Å; F12-S15 PolarHBondContact O-OG 3.23Å; S15-S18 WeakPolarHBondContact O-CB 3.32Å; S15-S18 PolarHBondContact O-N 2.92Å; S15-S18 VanDerWaalsContact O-N 3.14Å; S15-L19 PolarHBondContact O-N 3.29Å
16L44.1Very low46Very low108 Ų108121.6 Ų121.657%0.56567%0.665SS**Hα-helixtrans-71.9-31.4172.2-95.9147000112.1F12 L13 S18F12-L16 HydrophobicContact CD1-CD1 3.57Å; F12-L16 HydrophobicContact CE1-CD1 3.77Å; F12-L16 WeakPolarHBondContact O-CB 3.48Å; F12-L16 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 2.85Å; L16-S18 PolarHBondContact O-N 3.44Å
17F44.4Very low45.1Very low177 Ų177119.7 Ų119.778%0.77666%0.661SS**THydrogen-bonded Turntrans-70.1-15.6167.9-107.5-89.4000113.5L13 L14L13-F17 PolarHBondContact O-N 3.18Å; L14-F17 PolarHBondContact O-N 3.37Å
18S38.5Very low44.8Very low95 Ų95113.6 Ų113.666%0.66464%0.644SS**THydrogen-bonded Turntrans-99.4-9.4-177.4-52.80000113.7L14 S15 L16L14-S18 PolarHBondContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 3.07Å; S15-S18 WeakPolarHBondContact O-CB 3.32Å; S15-S18 PolarHBondContact O-N 2.92Å; S15-S18 VanDerWaalsContact O-N 3.14Å; L16-S18 PolarHBondContact O-N 3.44Å
19L32.9Very low45.2Very low143 Ų143116.4 Ų116.475%0.74965%0.648SS**SBendtrans-112.670.6171-88.4153.5000108.7S15 Q21S15-L19 PolarHBondContact O-N 3.29Å; L19-Q21 VanDerWaalsContact C-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.36Å
20V30.9Very low46.2Very low124 Ų124112.5 Ų112.575%0.75263%0.629SS**  trans-47.687.6166.4177.60000109.7G22V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.4Å
21Q31.1Very low47.1Very low191 Ų191109.3 Ų109.389%0.89361%0.609SS**  trans-67.296.5149.4-69.8-169.7-29.100104.6L19 A23L19-Q21 VanDerWaalsContact C-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.36Å; Q21-A23 VanDerWaalsContact C-N 3.32Å
22G27.3Very low48.5Very low75 Ų75102.4 Ų102.477%0.77358%0.582SS**  cis77.123.645.400000110.9V20V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.4Å
23A26.4Very low50Low88 Ų8899.7 Ų99.773%0.72757%0.568SS**  trans-132.656.7174.900000110.2Q21Q21-A23 VanDerWaalsContact C-N 3.32Å
24H25.6Very low51.7Low186 Ų18695 Ų9586%0.86154%0.543SS*.  trans-102.1121.9152.3-84.4-21.4000107G26H24-G26 PolarHBondContact O-N 3.45Å
25S27Very low53.8Low127 Ų12790.8 Ų90.889%0.88852%0.522SS*.  trans-56.182.9168.853.90000109.1S27S25-S27 PolarHBondContact O-N 3.06Å
26G29.7Very low56Low67 Ų6788.2 Ų88.269%0.69150%0.504SS*.  trans-67.611817800000108.7H24H24-G26 PolarHBondContact O-N 3.45Å
27S43.5Very low58.5Low80 Ų8086 Ų8656%0.55949%0.49SS*.  trans-41.1135169.7172.90000110.6S25 R29S25-S27 PolarHBondContact O-N 3.06Å; S27-R29 PolarHBondContact O-N 3.41Å
28P57Low60.9Low45 Ų4577.6 Ų77.629%0.29245%0.454SS..  trans-53.3126.3175.3-2029.2000109.5E30 W143 P146P28-E30 VanDerWaalsContact C-N 3.27Å; P28-E30 PolarHBondContact O-N 3.01Å; P28-W143 HydrophobicContact CB-CE3 4.48Å; P28-P146 HydrophobicContact CG-CB 3.79Å
29R73.3Confident63.6Low204 Ų20477.1 Ų77.177%0.7744%0.444SS*.SBendtrans-78.6-10.2-176.7-83.7-177.4170.6173.9-2.8113.4S27 L222S27-R29 PolarHBondContact O-N 3.41Å; R29-L222 VanDerWaalsContact O-CD2 3.32Å; R29-L222 WeakPolarHBondContact O-CD2 3.48Å
30E85.1Confident66.4Low35 Ų3570.4 Ų70.416%0.16441%0.408CS..SBendtrans-136.9158.2-174.6-42.384.9-159.600111.6P28 R33 Y93P28-E30 VanDerWaalsContact C-N 3.27Å; P28-E30 PolarHBondContact O-N 3.01Å; E30-R33 VanDerWaalsContact CD-NH2 3.26Å; E30-R33 IonicContact OE1-NH2 3.44Å; E30-R33 PolarHBondContact OE1-NH2 3.43Å; E30-R33 IonicContact OE2-CZ 3.73Å; E30-R33 IonicContact OE2-NE 3.46Å; E30-R33 PolarHBondContact OE2-NE 2.72Å; E30-R33 IonicContact OE2-NH2 3.14Å; E30-R33 PolarHBondContact OE2-NH2 3.03Å; E30-Y93 HydrophobicContact CG-CD1 3.97Å
31D86.5Confident69.3Low8 Ų867.6 Ų67.64%0.04339%0.392CS..SBendtrans-75.9-32.2-179.9-63.9-104.3000111.6W94 S95 R96 S142 W143D31-W94 HydrophobicContact CB-CD2 4.39Å; D31-W94 HydrophobicContact CB-CE3 4.02Å; D31-W94 HydrophobicContact CB-CH2 4.41Å; D31-W94 HydrophobicContact CB-CZ3 4.02Å; D31-W94 PolarHBondContact N-O 3.39Å; D31-S95 WeakPolarHBondContact OD2-CA 3.43Å; D31-S95 PolarHBondContact OD2-OG 2.99Å; D31-R96 PolarHBondContact OD2-N 3.44Å; D31-S142 CarbonylContact O-C 3.54Å; D31-S142 VanDerWaalsContact O-CA 3.27Å; D31-S142 WeakPolarHBondContact O-CA 3.49Å; D31-W143 PolarHBondContact O-N 3.2Å
32F92.1Very high72.1Confident1 Ų161.5 Ų61.50%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-148.9140.6176.2172.8-88.5000111.3F34 I56 L92 Y93 W94 F122 V140 F159 F161F32-F34 HydrophobicContact CE1-CB 3.63Å; F32-F34 HydrophobicContact CZ-CB 3.67Å; F32-I56 HydrophobicContact CD1-CD1 3.99Å; F32-I56 HydrophobicContact CE1-CD1 4Å; F32-I56 HydrophobicContact CG-CD1 4.5Å; F32-L92 HydrophobicContact CE1-CD2 4.4Å; F32-Y93 WeakPolarHBondContact O-CA 3.34Å; F32-W94 HydrophobicContact CB-CB 4.17Å; F32-W94 HydrophobicContact CB-CE3 3.7Å; F32-W94 HydrophobicContact CD1-CB 4.5Å; F32-W94 PolarHBondContact N-O 3.49Å; F32-W94 PolarHBondContact O-N 2.89Å; F32-F122 HydrophobicContact CD2-CD2 4.23Å; F32-F122 HydrophobicContact CE2-CD2 4.09Å; F32-F122 HydrophobicContact CE2-CE2 4.21Å; F32-V140 HydrophobicContact CD2-CG2 4.34Å; F32-V140 HydrophobicContact CE2-CG2 3.63Å; F32-V140 HydrophobicContact CZ-CG2 4.07Å; F32-F159 HydrophobicContact CE2-CB 4.14Å; F32-F159 HydrophobicContact CE2-CD1 4.18Å; F32-F159 HydrophobicContact CE2-CD2 4.26Å; F32-F159 AromaticContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CZ-CB 4.21Å; F32-F159 HydrophobicContact CZ-CD1 4.29Å; F32-F159 AromaticContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CE2 4Å; F32-F159 AromaticContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CZ 4.48Å; F32-F161 HydrophobicContact CD2-CE1 4.34Å; F32-F161 AromaticContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CE2-CZ 4.23Å; F32-F161 HydrophobicContact CG-CZ 4.36Å
33R94.2Very high75.2Confident85 Ų8563.3 Ų63.332%0.32135%0.352SS..EExtended strand (participates in β ladder)trans-142.3118.8177.9178.9-167.6-63.1-165-5.1109.6E30 L92 Y93 V140 S141E30-R33 VanDerWaalsContact CD-NH2 3.26Å; E30-R33 IonicContact OE1-NH2 3.44Å; E30-R33 PolarHBondContact OE1-NH2 3.43Å; E30-R33 IonicContact OE2-CZ 3.73Å; E30-R33 IonicContact OE2-NE 3.46Å; E30-R33 PolarHBondContact OE2-NE 2.72Å; E30-R33 IonicContact OE2-NH2 3.14Å; E30-R33 PolarHBondContact OE2-NH2 3.03Å; R33-L92 CarbonylContact C-O 3.52Å; R33-L92 WeakPolarHBondContact CA-O 3.38Å; R33-Y93 HydrophobicContact CB-CD1 4.26Å; R33-Y93 HydrophobicContact CB-CE1 4.49Å; R33-Y93 HydrophobicContact CG-CD1 3.88Å; R33-Y93 HydrophobicContact CG-CE1 3.68Å; R33-V140 CarbonylContact O-C 3.43Å; R33-V140 WeakPolarHBondContact O-CA 3.32Å; R33-S141 PolarHBondContact N-O 3.38Å; R33-S141 PolarHBondContact O-N 3.26Å
34F95.3Very high78.4Confident0 Ų059.1 Ų59.10%032%0.317CS..EExtended strand (participates in β ladder)trans-118.9116.5172.4170-113.4000110F32 V58 F90 C91 L92 L135 T138 S139 V140 L151 F157 F159F32-F34 HydrophobicContact CE1-CB 3.63Å; F32-F34 HydrophobicContact CZ-CB 3.67Å; F34-V58 HydrophobicContact CD1-CG2 4.17Å; F34-V58 HydrophobicContact CE1-CB 4.27Å; F34-V58 HydrophobicContact CE1-CG1 4.1Å; F34-V58 HydrophobicContact CE1-CG2 4.17Å; F34-F90 HydrophobicContact CD1-CE2 4Å; F34-F90 AromaticContact CE1-CE2 3.72Å; F34-F90 HydrophobicContact CE1-CE2 3.72Å; F34-F90 AromaticContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CZ-CZ 4.41Å; F34-C91 CarbonylContact O-C 3.53Å; F34-C91 VanDerWaalsContact O-CA 3.31Å; F34-C91 WeakPolarHBondContact O-CA 3.48Å; F34-L92 HydrophobicContact CB-CB 4.39Å; F34-L92 PolarHBondContact N-O 3.49Å; F34-L92 PolarHBondContact O-N 3.49Å; F34-L135 HydrophobicContact CE1-CD1 4.44Å; F34-L135 HydrophobicContact CZ-CD1 4.43Å; F34-T138 HydrophobicContact CE2-CG2 4.02Å; F34-T138 HydrophobicContact CZ-CG2 3.81Å; F34-S139 CarbonylContact C-O 3.49Å; F34-S139 WeakPolarHBondContact CA-O 3.43Å; F34-S139 WeakPolarHBondContact CD2-O 3.49Å; F34-V140 HydrophobicContact CD2-CB 4.38Å; F34-L151 HydrophobicContact CD2-CD1 4.48Å; F34-L151 HydrophobicContact CE2-CD1 4.2Å; F34-F157 HydrophobicContact CE1-CD2 4.5Å; F34-F157 HydrophobicContact CE2-CD1 4.27Å; F34-F157 HydrophobicContact CE2-CD2 4.45Å; F34-F157 HydrophobicContact CE2-CE1 4.49Å; F34-F157 HydrophobicContact CE2-CG 4.26Å; F34-F157 HydrophobicContact CZ-CB 4.49Å; F34-F157 HydrophobicContact CZ-CD1 4.33Å; F34-F157 AromaticContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CE2 4.02Å; F34-F157 AromaticContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CZ 4.44Å; F34-F159 HydrophobicContact CB-CE2 4.25Å; F34-F159 HydrophobicContact CB-CZ 4.46Å; F34-F159 HydrophobicContact CD1-CE2 4.12Å; F34-F159 AromaticContact CD2-CE2 3.78Å; F34-F159 HydrophobicContact CD2-CE2 3.78Å; F34-F159 AromaticContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CD2-CZ 3.43Å; F34-F159 VanDerWaalsContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CE1-CE2 4.42Å; F34-F159 HydrophobicContact CE2-CE2 4.1Å; F34-F159 AromaticContact CE2-CZ 3.68Å; F34-F159 HydrophobicContact CE2-CZ 3.68Å; F34-F159 AromaticContact CG-CE2 3.78Å; F34-F159 HydrophobicContact CG-CE2 3.78Å; F34-F159 AromaticContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CZ-CE2 4.4Å; F34-F159 HydrophobicContact CZ-CZ 4.35Å
35C96.1Very high81.7Confident13 Ų1352.2 Ų52.29%0.08829%0.288CS..EExtended strand (participates in β ladder)trans-117.4156.3-176.9-64.60000111.6F90 C91 T138 S139C35-F90 CarbonylContact C-O 3.58Å; C35-F90 VanDerWaalsContact CA-O 3.23Å; C35-F90 WeakPolarHBondContact CA-O 3.44Å; C35-C91 HydrophobicContact CB-CB 4.15Å; C35-C91 WeakPolarHBondContact CB-SG 3.33Å; C35-C91 WeakPolarHBondContact SG-CB 3.34Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 3.31Å; C35-T138 CarbonylContact O-C 3.47Å; C35-T138 VanDerWaalsContact O-CA 3.26Å; C35-T138 WeakPolarHBondContact O-CA 3.47Å; C35-S139 PolarHBondContact N-O 3.42Å; C35-S139 PolarHBondContact O-N 3.3Å
36G95.8Very high84.9Confident0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-175-167.6175.200000112.6H89 F90 I136G36-H89 WeakPolarHBondContact O-CA 3.5Å; G36-H89 PolarHBondContact O-ND1 3.08Å; G36-F90 PolarHBondContact N-O 3.31Å; G36-F90 WeakPolarHBondContact O-CD1 3.29Å; G36-F90 PolarHBondContact O-N 2.93Å; G36-I136 CarbonylContact C-O 3.55Å
37Q96.1Very high88Confident61 Ų6147.4 Ų47.429%0.28523%0.234SC..EExtended strand (participates in β ladder)trans-125136.4173.7-68177.8-9.600109.4L87 Y88 I136 A137Q37-L87 HydrophobicContact CB-CD1 4.33Å; Q37-L87 HydrophobicContact CB-CG 4.3Å; Q37-Y88 CarbonylContact C-O 3.57Å; Q37-Y88 VanDerWaalsContact CA-O 3.3Å; Q37-Y88 WeakPolarHBondContact CA-O 3.36Å; Q37-I136 HydrophobicContact CB-CB 4.25Å; Q37-I136 PolarHBondContact N-O 3.22Å; Q37-I136 PolarHBondContact O-N 2.95Å; Q37-A137 HydrophobicContact CG-CB 4.36Å
38R95.4Very high90.5Very high1 Ų144.3 Ų44.30%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-115.5125176.6-178.1174.6-175-94.7-9.3108.8S44 N60 T61 E62 Y88 F90 Y105 L135R38-S44 VanDerWaalsContact NH1-CB 3.3Å; R38-S44 PolarHBondContact NH1-OG 3.33Å; R38-S44 PolarHBondContact NH2-OG 3.31Å; R38-N60 WeakPolarHBondContact CD-OD1 3.07Å; R38-N60 PolarHBondContact NE-OD1 3.28Å; R38-N60 PolarHBondContact NH2-OD1 3.42Å; R38-T61 PolarHBondContact NH2-O 2.83Å; R38-E62 PolarHBondContact NH2-O 2.7Å; R38-Y88 PolarHBondContact N-O 3.34Å; R38-Y88 PolarHBondContact O-N 3.4Å; R38-F90 HydrophobicContact CB-CD1 4.11Å; R38-F90 HydrophobicContact CB-CE1 4.29Å; R38-Y105 HydrophobicContact CB-CE2 3.96Å; R38-Y105 WeakPolarHBondContact CD-OH 3.14Å; R38-Y105 HydrophobicContact CG-CE2 4.38Å; R38-L135 HydrophobicContact CB-CD2 4.02Å; R38-L135 HydrophobicContact CG-CD2 4.15Å
39N94Very high92.3Very high85 Ų8544.3 Ų44.346%0.45521%0.207SC..EExtended strand (participates in β ladder)trans-86.7108.3173.8-169.615.6000109.5T41 L87 I136N39-T41 PolarHBondContact O-N 3.25Å; N39-L87 HydrophobicContact CB-CD1 3.88Å; N39-I136 HydrophobicContact CB-CD1 4.41Å
40Q92.6Very high93.3Very high2 Ų239.7 Ų39.71%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-91.8100.5-178.5-174.5174.5-44.300110Q42 P82 R85 G86 Y88 Y105Q40-Q42 WeakPolarHBondContact CG-O 3.45Å; Q40-P82 PolarHBondContact NE2-O 3.34Å; Q40-R85 WeakPolarHBondContact O-CA 3.44Å; Q40-R85 WeakPolarHBondContact O-CB 3.47Å; Q40-G86 PolarHBondContact N-O 2.86Å; Q40-G86 PolarHBondContact O-N 3.33Å; Q40-Y88 HydrophobicContact CB-CD2 4.03Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; Q40-Y105 PolarHBondContact OE1-OH 3.23Å
41T90.8Very high93.5Very high65 Ų6538.7 Ų38.740%0.39919%0.191SC..  trans-84.5-24.6-178.754.40000113.2N39 R85N39-T41 PolarHBondContact O-N 3.25Å; T41-R85 VanDerWaalsContact O-CD 3.29Å; T41-R85 WeakPolarHBondContact O-CD 3.28Å
42Q91.2Very high93.6Very high64 Ų6444.7 Ų44.730%0.29923%0.234SC..SBendtrans-142.7174.4-179.461.3-17758.600111.5Q40 S44Q40-Q42 WeakPolarHBondContact CG-O 3.45Å; Q42-S44 PolarHBondContact O-N 3.06Å
43Q91.6Very high93.4Very high113 Ų11350.5 Ų50.553%0.52826%0.261SS..  trans-60130.5170.7-172.5178.318.400108.8F80Q43-F80 HydrophobicContact CG-CD1 4.48Å
44S92.7Very high93Very high0 Ų049 Ų490%026%0.262CS..  trans-135.2154.5-168.2-177.60000112.7R38 Q42 E63 F81R38-S44 VanDerWaalsContact NH1-CB 3.3Å; R38-S44 PolarHBondContact NH1-OG 3.33Å; R38-S44 PolarHBondContact NH2-OG 3.31Å; Q42-S44 PolarHBondContact O-N 3.06Å; S44-E63 CarbonylContact C-O 3.44Å; S44-E63 WeakPolarHBondContact CA-O 3.48Å; S44-E63 WeakPolarHBondContact CB-O 3.18Å; S44-E63 VanDerWaalsContact OG-C 3.26Å; S44-E63 PolarHBondContact OG-O 3.25Å; S44-F81 PolarHBondContact O-N 3Å
45T94.8Very high92.8Very high40 Ų4050.4 Ų50.425%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-114.4154.3-174.960.90000112.7E63 T64 L65 R79 F80 F81T45-E63 PolarHBondContact N-O 2.95Å; T45-T64 WeakPolarHBondContact O-CA 3.4Å; T45-T64 WeakPolarHBondContact OG1-CG2 3.47Å; T45-T64 PolarHBondContact OG1-OG1 2.96Å; T45-L65 PolarHBondContact O-N 3.37Å; T45-R79 CarbonylContact C-O 3.45Å; T45-R79 WeakPolarHBondContact CA-O 3.45Å; T45-R79 WeakPolarHBondContact CB-O 3.42Å; T45-F80 HydrophobicContact CG2-CD1 3.7Å; T45-F80 HydrophobicContact CG2-CE1 3.71Å; T45-F80 HydrophobicContact CG2-CG 4.49Å; T45-F81 VanDerWaalsContact O-CE2 3.31Å; T45-F81 WeakPolarHBondContact O-CE2 3.27Å
46L95.6Very high92.7Very high9 Ų949.8 Ų49.85%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-103126.5170.1173.662.3000108.4I67 I77 R79 F81 L103 Y110 L112L46-I67 HydrophobicContact CD1-CD1 4.26Å; L46-I77 HydrophobicContact CD2-CG2 4.16Å; L46-I77 HydrophobicContact CG-CG2 4.49Å; L46-R79 PolarHBondContact N-O 3.34Å; L46-F81 HydrophobicContact CB-CE1 4.12Å; L46-F81 HydrophobicContact CB-CE2 3.96Å; L46-F81 HydrophobicContact CB-CZ 3.7Å; L46-F81 HydrophobicContact CD1-CZ 3.92Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L46-L103 HydrophobicContact CD1-CD2 3.74Å; L46-L103 HydrophobicContact CD2-CD2 4.31Å; L46-Y110 HydrophobicContact CD2-CD1 3.51Å; L46-Y110 HydrophobicContact CD2-CE1 4.28Å; L46-Y110 HydrophobicContact CD2-CG 3.69Å; L46-L112 HydrophobicContact CD1-CD2 4.45Å; L46-L112 HydrophobicContact CD2-CD2 3.95Å
47H95.3Very high92.7Very high85 Ų8550.4 Ų50.439%0.39427%0.267SS..EExtended strand (participates in β ladder)trans-124.2130.5176.8-170.954.9000110.3D49 T64 L65 T66 I67H47-D49 IonicContact CD2-OD2 3.54Å; H47-D49 IonicContact CE1-OD1 3.81Å; H47-D49 PolarHBondContact CE1-OD1 3.31Å; H47-D49 IonicContact NE2-OD1 2.65Å; H47-D49 PolarHBondContact NE2-OD1 2.97Å; H47-D49 IonicContact NE2-OD2 2.92Å; H47-D49 PolarHBondContact NE2-OD2 3.39Å; H47-T64 HydrophobicContact CB-CG2 3.71Å; H47-L65 PolarHBondContact N-O 2.74Å; H47-T66 CarbonylContact O-C 3.55Å; H47-T66 WeakPolarHBondContact O-CA 3.46Å; H47-I67 PolarHBondContact O-N 3.36Å
48Y96.1Very high92.7Very high15 Ų1547.6 Ų47.66%0.05925%0.254CS..EExtended strand (participates in β ladder)trans-127.4128.4178.1177.3-92.7000110.9I67 A69 F71 A73 I77 L101 L112Y48-I67 VanDerWaalsContact CA-O 3.24Å; Y48-I67 WeakPolarHBondContact CA-O 3.3Å; Y48-I67 HydrophobicContact CD2-CB 4.2Å; Y48-I67 HydrophobicContact CD2-CG2 4.05Å; Y48-I67 WeakPolarHBondContact CD2-O 3.4Å; Y48-I67 HydrophobicContact CE2-CG2 4.32Å; Y48-A69 HydrophobicContact CE2-CB 3.97Å; Y48-F71 PolarHBondContact OH-O 3.21Å; Y48-A73 HydrophobicContact CD1-CB 3.61Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.65Å; Y48-I77 HydrophobicContact CD1-CD1 3.67Å; Y48-I77 HydrophobicContact CG-CD1 3.96Å; Y48-L101 HydrophobicContact CE2-CD2 3.58Å; Y48-L112 HydrophobicContact CD2-CB 3.8Å; Y48-L112 HydrophobicContact CD2-CD1 3.95Å; Y48-L112 HydrophobicContact CD2-CD2 4.42Å; Y48-L112 HydrophobicContact CD2-CG 4.28Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.33Å; Y48-L112 HydrophobicContact CG-CB 4.17Å
49D93.9Very high92.7Very high45 Ų4551 Ų5124%0.24127%0.267CS..EExtended strand (participates in β ladder)trans-123.6148173.2-57.7-48.8000111.3H47 I67 R68 A69H47-D49 IonicContact CD2-OD2 3.54Å; H47-D49 IonicContact CE1-OD1 3.81Å; H47-D49 PolarHBondContact CE1-OD1 3.31Å; H47-D49 IonicContact NE2-OD1 2.65Å; H47-D49 PolarHBondContact NE2-OD1 2.97Å; H47-D49 IonicContact NE2-OD2 2.92Å; H47-D49 PolarHBondContact NE2-OD2 3.39Å; D49-I67 PolarHBondContact N-O 3.44Å; D49-I67 VanDerWaalsContact N-O 3.11Å; D49-R68 HydrophobicContact CB-CG 3.98Å; D49-R68 VanDerWaalsContact O-CA 3.24Å; D49-R68 WeakPolarHBondContact O-CA 3.44Å; D49-R68 IonicContact OD2-CZ 2.76Å; D49-R68 IonicContact OD2-NE 3.6Å; D49-R68 PolarHBondContact OD2-NE 3.2Å; D49-R68 IonicContact OD2-NH2 3.03Å; D49-R68 PolarHBondContact OD2-NH2 3.3Å; D49-R68 VanDerWaalsContact OD2-NH2 3.14Å; D49-A69 PolarHBondContact O-N 2.99Å
50Q93.7Very high92.9Very high107 Ų10747 Ų4750%0.525%0.246SC..EExtended strand (participates in β ladder)trans-74.3126.3166.1-174.7176.58.600110A69Q50-A69 CarbonylContact C-O 3.57Å; Q50-A69 WeakPolarHBondContact CA-O 3.32Å
51S90.5Very high93Very high14 Ų1448.6 Ų48.610%0.09826%0.256CS..  trans-90.3141.2174.6620000112.3E53 H55 A69S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact OG-O 3.37Å; S51-H55 VanDerWaalsContact CB-CE1 3.49Å; S51-H55 WeakPolarHBondContact CB-CE1 3.43Å; S51-H55 PolarHBondContact OG-ND1 3.42Å; S51-H55 PolarHBondContact OG-O 2.93Å; S51-A69 PolarHBondContact N-O 3.43Å; S51-A69 PolarHBondContact OG-O 3.23Å
52S88.9Confident93Very high133 Ų13350.7 Ų50.793%0.9326%0.261SS*.SBendtrans-69.4-30.2170.1-50.20000112.2
53E86.2Confident93.1Very high123 Ų12353.5 Ų53.558%0.57527%0.274SS*.SBendtrans-87.4147.6178.4-65.6-177.7179.800111.7S51 H55S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact OG-O 3.37Å; E53-H55 PolarHBondContact O-N 3.48Å; E53-H55 PolarHBondContact O-ND1 3.41Å; E53-H55 IonicContact OE2-CD2 2.91Å; E53-H55 IonicContact OE2-NE2 3.16Å
54P87.1Confident93.3Very high55 Ų5549.5 Ų49.536%0.35726%0.258SS..SBendtrans-79.456.4-18035.6-36.9000111.7L120 F161P54-L120 HydrophobicContact CB-CD2 4.24Å; P54-F161 WeakPolarHBondContact O-CB 3.27Å; P54-F161 WeakPolarHBondContact O-CD2 3.41Å; P54-F161 PolarHBondContact O-N 2.93Å
55H90.9Very high93.4Very high28 Ų2849.5 Ų49.513%0.1326%0.258CS..EExtended strand (participates in β ladder)trans-128.2152.1178.966.42.6000111.2S51 E53 P70 I158 F159S51-H55 VanDerWaalsContact CB-CE1 3.49Å; S51-H55 WeakPolarHBondContact CB-CE1 3.43Å; S51-H55 PolarHBondContact OG-ND1 3.42Å; S51-H55 PolarHBondContact OG-O 2.93Å; E53-H55 PolarHBondContact O-N 3.48Å; E53-H55 PolarHBondContact O-ND1 3.41Å; E53-H55 IonicContact OE2-CD2 2.91Å; E53-H55 IonicContact OE2-NE2 3.16Å; H55-P70 WeakPolarHBondContact O-CD 3.46Å; H55-I158 HydrophobicContact CB-CG2 4.25Å; H55-F159 CarbonylContact C-O 3.55Å; H55-F159 VanDerWaalsContact CA-O 3.22Å; H55-F159 WeakPolarHBondContact CA-O 3.21Å; H55-F159 WeakPolarHBondContact CB-O 3.41Å
56I93.6Very high93.5Very high0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-99.4115163.8-66.5173.7000107.4F32 V58 R68 A69 L92 F159 F161F32-I56 HydrophobicContact CD1-CD1 3.99Å; F32-I56 HydrophobicContact CE1-CD1 4Å; F32-I56 HydrophobicContact CG-CD1 4.5Å; I56-V58 HydrophobicContact CG2-CG2 4.25Å; I56-R68 CarbonylContact C-O 3.56Å; I56-R68 WeakPolarHBondContact CA-O 3.27Å; I56-A69 HydrophobicContact CG1-CB 4.04Å; I56-L92 HydrophobicContact CG2-CD2 3.71Å; I56-F159 HydrophobicContact CB-CB 4.22Å; I56-F159 HydrophobicContact CG2-CD2 4.37Å; I56-F159 PolarHBondContact N-O 2.99Å; I56-F159 PolarHBondContact O-N 3.38Å; I56-F161 HydrophobicContact CB-CE2 3.91Å; I56-F161 HydrophobicContact CD1-CE2 3.7Å; I56-F161 HydrophobicContact CD1-CZ 3.63Å; I56-F161 HydrophobicContact CG1-CE2 3.54Å; I56-F161 HydrophobicContact CG1-CZ 4.03Å
57F94.9Very high93.6Very high14 Ų1447.9 Ų47.96%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-106.9126.2177.6174.6-119000109.7W59 I67 R68 K130 F157 I158F57-W59 HydrophobicContact CD1-CB 4.47Å; F57-W59 HydrophobicContact CE1-CB 3.62Å; F57-W59 HydrophobicContact CE1-CE3 4.3Å; F57-W59 HydrophobicContact CE1-CG 4.36Å; F57-W59 HydrophobicContact CE2-CB 4.17Å; F57-W59 HydrophobicContact CZ-CB 3.47Å; F57-W59 VanDerWaalsContact CZ-CB 3.47Å; F57-W59 HydrophobicContact CZ-CD2 4.38Å; F57-W59 HydrophobicContact CZ-CE3 4.48Å; F57-W59 HydrophobicContact CZ-CG 4Å; F57-I67 CarbonylContact O-C 3.56Å; F57-I67 WeakPolarHBondContact O-CA 3.17Å; F57-R68 HydrophobicContact CB-CB 4.21Å; F57-R68 HydrophobicContact CD1-CB 4.43Å; F57-R68 HydrophobicContact CD1-CG 4.1Å; F57-R68 PolarHBondContact N-O 3.42Å; F57-R68 PolarHBondContact O-N 2.9Å; F57-K130 HydrophobicContact CE2-CG 4.48Å; F57-K130 HydrophobicContact CZ-CG 4.08Å; F57-F157 WeakPolarHBondContact CA-O 3.46Å; F57-F157 WeakPolarHBondContact CD2-O 3.41Å; F57-I158 HydrophobicContact CD2-CD1 4.35Å; F57-I158 HydrophobicContact CD2-CG1 3.49Å; F57-I158 VanDerWaalsContact CD2-CG1 3.49Å; F57-I158 HydrophobicContact CE2-CG1 4.01Å
58V96.4Very high93.6Very high1 Ų148.4 Ų48.41%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-120123.7175.2-176.80000107.9F34 I56 L65 T66 I67 L92 L135 S156 F157F34-V58 HydrophobicContact CD1-CG2 4.17Å; F34-V58 HydrophobicContact CE1-CB 4.27Å; F34-V58 HydrophobicContact CE1-CG1 4.1Å; F34-V58 HydrophobicContact CE1-CG2 4.17Å; I56-V58 HydrophobicContact CG2-CG2 4.25Å; V58-L65 HydrophobicContact CG1-CD1 3.99Å; V58-T66 WeakPolarHBondContact CA-O 3.26Å; V58-I67 HydrophobicContact CG1-CG1 4.47Å; V58-L92 HydrophobicContact CG2-CD2 3.98Å; V58-L135 HydrophobicContact CG1-CD1 4.11Å; V58-S156 CarbonylContact O-C 3.23Å; V58-S156 WeakPolarHBondContact O-CA 3.39Å; V58-F157 PolarHBondContact N-O 3.2Å; V58-F157 PolarHBondContact O-N 3.08Å
59W96.5Very high93.5Very high72 Ų7247.7 Ų47.727%0.27324%0.243SC..EExtended strand (participates in β ladder)trans-134.1128.1179.5177.931.5000110.8F57 T61 T66 K130 Q131F57-W59 HydrophobicContact CD1-CB 4.47Å; F57-W59 HydrophobicContact CE1-CB 3.62Å; F57-W59 HydrophobicContact CE1-CE3 4.3Å; F57-W59 HydrophobicContact CE1-CG 4.36Å; F57-W59 HydrophobicContact CE2-CB 4.17Å; F57-W59 HydrophobicContact CZ-CB 3.47Å; F57-W59 VanDerWaalsContact CZ-CB 3.47Å; F57-W59 HydrophobicContact CZ-CD2 4.38Å; F57-W59 HydrophobicContact CZ-CE3 4.48Å; F57-W59 HydrophobicContact CZ-CG 4Å; W59-T61 HydrophobicContact CZ2-CG2 3.95Å; W59-T66 PolarHBondContact N-O 3.04Å; W59-T66 PolarHBondContact O-N 3.34Å; W59-K130 HydrophobicContact CG-CB 4.47Å; W59-Q131 PolarHBondContact NE1-O 3.1Å
60N96.6Very high93.4Very high1 Ų146 Ų461%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-114125.4-175.8-172.448.7000111.7R38 L65 G132 A133 L135 P155R38-N60 WeakPolarHBondContact CD-OD1 3.07Å; R38-N60 PolarHBondContact NE-OD1 3.28Å; R38-N60 PolarHBondContact NH2-OD1 3.42Å; N60-L65 HydrophobicContact CB-CD1 3.91Å; N60-G132 CarbonylContact O-C 3.57Å; N60-G132 WeakPolarHBondContact O-CA 3.39Å; N60-A133 WeakPolarHBondContact CB-O 3.43Å; N60-A133 PolarHBondContact ND2-O 2.68Å; N60-A133 PolarHBondContact O-N 3.08Å; N60-L135 HydrophobicContact CB-CD1 4.17Å; N60-L135 HydrophobicContact CB-CD2 3.74Å; N60-L135 HydrophobicContact CB-CG 3.8Å; N60-L135 WeakPolarHBondContact ND2-CD2 3.45Å; N60-P155 PolarHBondContact N-O 3.3Å
61T94.9Very high93.4Very high36 Ų3641.2 Ų41.222%0.22121%0.213CC..  trans-115.1173.8165.268.70000109.4R38 W59 E63 T64R38-T61 PolarHBondContact NH2-O 2.83Å; W59-T61 HydrophobicContact CZ2-CG2 3.95Å; T61-E63 VanDerWaalsContact C-N 3.26Å; T61-E63 PolarHBondContact O-N 3.44Å; T61-T64 PolarHBondContact N-O 3.39Å; T61-T64 PolarHBondContact OG1-N 3.47Å; T61-T64 PolarHBondContact OG1-O 3.2Å; T61-T64 VanDerWaalsContact OG1-O 3.1Å
62E92Very high93.6Very high110 Ų11044.8 Ų44.851%0.51423%0.23SC..SBendtrans-62.1-38.3175.4-63.6-167.4158.600111.3R38 A133R38-E62 PolarHBondContact NH2-O 2.7Å; E62-A133 HydrophobicContact CG-CB 4.23Å
63E93.2Very high93.8Very high123 Ų12340.4 Ų40.458%0.57520%0.202SC*.SBendtrans-85.3-34.4-176.7-33.8-157.9139.400113S44 T45 T61S44-E63 CarbonylContact C-O 3.44Å; S44-E63 WeakPolarHBondContact CA-O 3.48Å; S44-E63 WeakPolarHBondContact CB-O 3.18Å; S44-E63 VanDerWaalsContact OG-C 3.26Å; S44-E63 PolarHBondContact OG-O 3.25Å; T45-E63 PolarHBondContact N-O 2.95Å; T61-E63 VanDerWaalsContact C-N 3.26Å; T61-E63 PolarHBondContact O-N 3.44Å
64T94.9Very high94.1Very high29 Ų2935.1 Ų35.118%0.17818%0.18CC..EExtended strand (participates in β ladder)trans-142.6136.7-166.4-52.20000112.7T45 H47 T61T45-T64 WeakPolarHBondContact O-CA 3.4Å; T45-T64 WeakPolarHBondContact OG1-CG2 3.47Å; T45-T64 PolarHBondContact OG1-OG1 2.96Å; H47-T64 HydrophobicContact CB-CG2 3.71Å; T61-T64 PolarHBondContact N-O 3.39Å; T61-T64 PolarHBondContact OG1-N 3.47Å; T61-T64 PolarHBondContact OG1-O 3.2Å; T61-T64 VanDerWaalsContact OG1-O 3.1Å
65L96.3Very high94.2Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-98112.9162.3-17665.8000108.8T45 H47 V58 N60 I67 F81 L103T45-L65 PolarHBondContact O-N 3.37Å; H47-L65 PolarHBondContact N-O 2.74Å; V58-L65 HydrophobicContact CG1-CD1 3.99Å; N60-L65 HydrophobicContact CB-CD1 3.91Å; L65-I67 HydrophobicContact CD2-CD1 4.46Å; L65-I67 HydrophobicContact CG-CG1 4.48Å; L65-F81 HydrophobicContact CB-CE2 3.7Å; L65-F81 HydrophobicContact CB-CZ 4.01Å; L65-F81 HydrophobicContact CD2-CE2 4.39Å; L65-F81 HydrophobicContact CD2-CZ 3.91Å; L65-L103 HydrophobicContact CD2-CD2 3.98Å
66T96.1Very high94.1Very high12 Ų1243.5 Ų43.57%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-100.1126.4179.3-58.50000110H47 V58 W59 R68H47-T66 CarbonylContact O-C 3.55Å; H47-T66 WeakPolarHBondContact O-CA 3.46Å; V58-T66 WeakPolarHBondContact CA-O 3.26Å; W59-T66 PolarHBondContact N-O 3.04Å; W59-T66 PolarHBondContact O-N 3.34Å; T66-R68 HydrophobicContact CG2-CG 4.23Å
67I96.6Very high93.9Very high2 Ų245 Ų451%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-120.5128.4174.6-60.5176000108.2L46 H47 Y48 D49 F57 V58 L65 L92 L103 L112L46-I67 HydrophobicContact CD1-CD1 4.26Å; H47-I67 PolarHBondContact O-N 3.36Å; Y48-I67 VanDerWaalsContact CA-O 3.24Å; Y48-I67 WeakPolarHBondContact CA-O 3.3Å; Y48-I67 HydrophobicContact CD2-CB 4.2Å; Y48-I67 HydrophobicContact CD2-CG2 4.05Å; Y48-I67 WeakPolarHBondContact CD2-O 3.4Å; Y48-I67 HydrophobicContact CE2-CG2 4.32Å; D49-I67 PolarHBondContact N-O 3.44Å; D49-I67 VanDerWaalsContact N-O 3.11Å; F57-I67 CarbonylContact O-C 3.56Å; F57-I67 WeakPolarHBondContact O-CA 3.17Å; V58-I67 HydrophobicContact CG1-CG1 4.47Å; L65-I67 HydrophobicContact CD2-CD1 4.46Å; L65-I67 HydrophobicContact CG-CG1 4.48Å; I67-L92 HydrophobicContact CD1-CD1 4.18Å; I67-L92 HydrophobicContact CG2-CD2 4.13Å; I67-L103 HydrophobicContact CD1-CB 4.39Å; I67-L103 HydrophobicContact CD1-CD1 4.14Å; I67-L103 HydrophobicContact CD1-CD2 3.85Å; I67-L103 HydrophobicContact CD1-CG 4.35Å; I67-L112 HydrophobicContact CB-CD1 4.31Å; I67-L112 HydrophobicContact CD1-CD1 3.82Å; I67-L112 HydrophobicContact CG2-CD1 3.93Å
68R95.8Very high93.5Very high96 Ų9647.4 Ų47.436%0.36225%0.253SS..EExtended strand (participates in β ladder)trans-122.8135172.3-50.8-169.9166.8154.8-4.2110.6D49 I56 F57 T66D49-R68 HydrophobicContact CB-CG 3.98Å; D49-R68 VanDerWaalsContact O-CA 3.24Å; D49-R68 WeakPolarHBondContact O-CA 3.44Å; D49-R68 IonicContact OD2-CZ 2.76Å; D49-R68 IonicContact OD2-NE 3.6Å; D49-R68 PolarHBondContact OD2-NE 3.2Å; D49-R68 IonicContact OD2-NH2 3.03Å; D49-R68 PolarHBondContact OD2-NH2 3.3Å; D49-R68 VanDerWaalsContact OD2-NH2 3.14Å; I56-R68 CarbonylContact C-O 3.56Å; I56-R68 WeakPolarHBondContact CA-O 3.27Å; F57-R68 HydrophobicContact CB-CB 4.21Å; F57-R68 HydrophobicContact CD1-CB 4.43Å; F57-R68 HydrophobicContact CD1-CG 4.1Å; F57-R68 PolarHBondContact N-O 3.42Å; F57-R68 PolarHBondContact O-N 2.9Å; T66-R68 HydrophobicContact CG2-CG 4.23Å
69A94.6Very high93Very high0 Ų056.8 Ų56.80%029%0.288CS..EExtended strand (participates in β ladder)trans-147.9159179.700000110.2Y48 D49 Q50 S51 I56 F71 L101Y48-A69 HydrophobicContact CE2-CB 3.97Å; D49-A69 PolarHBondContact O-N 2.99Å; Q50-A69 CarbonylContact C-O 3.57Å; Q50-A69 WeakPolarHBondContact CA-O 3.32Å; S51-A69 PolarHBondContact N-O 3.43Å; S51-A69 PolarHBondContact OG-O 3.23Å; I56-A69 HydrophobicContact CG1-CB 4.04Å; A69-F71 HydrophobicContact CB-CD2 3.78Å; A69-F71 HydrophobicContact CB-CE2 4.14Å; A69-F71 PolarHBondContact O-N 2.66Å; A69-L101 HydrophobicContact CB-CD2 3.68Å
70P92.3Very high92.7Very high11 Ų1159 Ų597%0.07130%0.3CS..SBendtrans-75.916.8-174.331.9-37.7000114.1H55 L120H55-P70 WeakPolarHBondContact O-CD 3.46Å; P70-L120 HydrophobicContact CG-CD1 3.63Å
71F93.7Very high92.5Very high6 Ų659.3 Ų59.33%0.02630%0.302CS..SBendtrans-108.9146.5-175.4-42.9-64.6000110.8Y48 A69 A73 W94 L101 S113 A116 R118 L120Y48-F71 PolarHBondContact OH-O 3.21Å; A69-F71 HydrophobicContact CB-CD2 3.78Å; A69-F71 HydrophobicContact CB-CE2 4.14Å; A69-F71 PolarHBondContact O-N 2.66Å; F71-A73 PolarHBondContact O-N 3.13Å; F71-W94 HydrophobicContact CE1-CZ2 4.42Å; F71-W94 AromaticContact CE1-NE1 3.95Å; F71-W94 AromaticContact CE2-CD1 3.86Å; F71-W94 HydrophobicContact CE2-CD2 4.42Å; F71-W94 HydrophobicContact CE2-CG 4.22Å; F71-W94 AromaticContact CE2-NE1 3.88Å; F71-W94 AromaticContact CZ-CD1 3.86Å; F71-W94 HydrophobicContact CZ-CD2 4.05Å; F71-W94 AromaticContact CZ-CE2 3.53Å; F71-W94 HydrophobicContact CZ-CG 4.27Å; F71-W94 AromaticContact CZ-CZ2 3.97Å; F71-W94 HydrophobicContact CZ-CZ2 3.97Å; F71-W94 AromaticContact CZ-NE1 3.38Å; F71-L101 HydrophobicContact CD2-CB 4.29Å; F71-L101 HydrophobicContact CD2-CD2 3.96Å; F71-L101 HydrophobicContact CE2-CD2 4.46Å; F71-S113 WeakPolarHBondContact CB-OG 3.43Å; F71-A116 HydrophobicContact CB-CB 4.03Å; F71-A116 HydrophobicContact CD1-CB 3.72Å; F71-A116 HydrophobicContact CD2-CB 3.77Å; F71-A116 HydrophobicContact CE1-CB 4.05Å; F71-A116 HydrophobicContact CE2-CB 4.1Å; F71-A116 HydrophobicContact CG-CB 3.56Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; F71-R118 HydrophobicContact CE1-CB 4.2Å; F71-L120 HydrophobicContact CE1-CD1 3.94Å; F71-L120 HydrophobicContact CZ-CD1 3.91Å
72L93.6Very high92.3Very high88 Ų8858.8 Ų58.846%0.46130%0.299SS..PPolyproline II helixtrans-58.9133.4178.9-172.668.2000110.7S113L72-S113 WeakPolarHBondContact O-CB 3.38Å; L72-S113 PolarHBondContact O-OG 2.97Å
73A93Very high91.9Very high41 Ų4160.7 Ų60.734%0.33931%0.308SS..PPolyproline II helixtrans-64.5137.3178.300000111.5Y48 F71 I77Y48-A73 HydrophobicContact CD1-CB 3.61Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.65Å; F71-A73 PolarHBondContact O-N 3.13Å; A73-I77 HydrophobicContact CB-CD1 4.23Å
74A93Very high91.7Very high13 Ų1358.9 Ų58.911%0.10731%0.307CS..PPolyproline II helixtrans-63.3144.2167.700000109.8D76 I77 L112A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 PolarHBondContact O-N 3.21Å; A74-I77 HydrophobicContact CB-CD1 4.41Å; A74-I77 HydrophobicContact CB-CG1 3.97Å; A74-I77 WeakPolarHBondContact O-CG1 3.38Å; A74-L112 PolarHBondContact N-O 3.4Å
75P88.8Confident91.5Very high116 Ų11666.7 Ų66.775%0.75333%0.333SS*.THydrogen-bonded Turntrans-66.5-30.4-178.325.1-33.3000113
76D88.6Confident91.3Very high142 Ų14268 Ų6876%0.75935%0.346SS*.THydrogen-bonded Turntrans-109.937.4-167.4-56.6-40.4000113.6A74 P78A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 PolarHBondContact O-N 3.21Å; D76-P78 WeakPolarHBondContact O-CD 3.32Å
77I89.8Confident91.2Very high33 Ų3372.1 Ų72.117%0.16937%0.367CS..  trans-68.2117.8-179.2-58.9173000109.6L46 Y48 A73 A74 R79 L112L46-I77 HydrophobicContact CD2-CG2 4.16Å; L46-I77 HydrophobicContact CG-CG2 4.49Å; Y48-I77 HydrophobicContact CD1-CD1 3.67Å; Y48-I77 HydrophobicContact CG-CD1 3.96Å; A73-I77 HydrophobicContact CB-CD1 4.23Å; A74-I77 HydrophobicContact CB-CD1 4.41Å; A74-I77 HydrophobicContact CB-CG1 3.97Å; A74-I77 WeakPolarHBondContact O-CG1 3.38Å; I77-R79 PolarHBondContact O-N 3.41Å; I77-L112 WeakPolarHBondContact CD1-O 3.4Å; I77-L112 HydrophobicContact CG2-CD2 4.39Å
78P87.2Confident91.2Very high64 Ų6473.8 Ų73.842%0.41637%0.374SS..  trans-63.8133.6178.6-18.930.6000111.2D76 Y110D76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-Y110 HydrophobicContact CB-CD1 3.95Å; P78-Y110 HydrophobicContact CB-CE1 3.85Å; P78-Y110 HydrophobicContact CG-CD1 3.84Å; P78-Y110 HydrophobicContact CG-CE1 4.14Å
79R86.4Confident91.2Very high197 Ų19774.1 Ų74.174%0.74338%0.379SS*.  trans-81.1-30.1-173-65.7-175.3-178.5-178.10.3114.4T45 L46 I77T45-R79 CarbonylContact C-O 3.45Å; T45-R79 WeakPolarHBondContact CA-O 3.45Å; T45-R79 WeakPolarHBondContact CB-O 3.42Å; L46-R79 PolarHBondContact N-O 3.34Å; I77-R79 PolarHBondContact O-N 3.41Å
80F89.9Confident91.3Very high119 Ų11974.2 Ų74.252%0.52238%0.38SS..BIsolated β-bridgetrans-110.5139.8-173-66.1-83.9000112Q43 T45Q43-F80 HydrophobicContact CG-CD1 4.48Å; T45-F80 HydrophobicContact CG2-CD1 3.7Å; T45-F80 HydrophobicContact CG2-CE1 3.71Å; T45-F80 HydrophobicContact CG2-CG 4.49Å
81F92.4Very high91.5Very high8 Ų874 Ų744%0.03538%0.379CS..  trans-76.3166.4165.7-76.5-57.7000111.3S44 T45 L46 L65 E83 L103 Y105 Y110S44-F81 PolarHBondContact O-N 3Å; T45-F81 VanDerWaalsContact O-CE2 3.31Å; T45-F81 WeakPolarHBondContact O-CE2 3.27Å; L46-F81 HydrophobicContact CB-CE1 4.12Å; L46-F81 HydrophobicContact CB-CE2 3.96Å; L46-F81 HydrophobicContact CB-CZ 3.7Å; L46-F81 HydrophobicContact CD1-CZ 3.92Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L65-F81 HydrophobicContact CB-CE2 3.7Å; L65-F81 HydrophobicContact CB-CZ 4.01Å; L65-F81 HydrophobicContact CD2-CE2 4.39Å; L65-F81 HydrophobicContact CD2-CZ 3.91Å; F81-E83 PolarHBondContact O-N 3.24Å; F81-L103 HydrophobicContact CE1-CD2 4.22Å; F81-L103 HydrophobicContact CZ-CD2 4.16Å; F81-Y105 HydrophobicContact CB-CE1 4.3Å; F81-Y105 AromaticContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD1 3.45Å; F81-Y105 VanDerWaalsContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD2 4.27Å; F81-Y105 AromaticContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE2 4.48Å; F81-Y105 AromaticContact CD1-CG 3.78Å; F81-Y105 HydrophobicContact CD1-CG 3.78Å; F81-Y105 AromaticContact CE1-CD1 3.74Å; F81-Y105 HydrophobicContact CE1-CD1 3.74Å; F81-Y105 AromaticContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CE1 4.13Å; F81-Y105 HydrophobicContact CE1-CE2 4.18Å; F81-Y105 AromaticContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CG-CD1 4.23Å; F81-Y105 AromaticContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CZ-CD2 4.12Å; F81-Y105 HydrophobicContact CZ-CE2 4.28Å; F81-Y105 HydrophobicContact CZ-CG 4.36Å; F81-Y110 HydrophobicContact CD1-CE2 4.17Å; F81-Y110 AromaticContact CD1-CZ 3.94Å; F81-Y110 HydrophobicContact CE1-CE2 4.18Å
82P89.1Confident91.6Very high25 Ų2573.8 Ų73.816%0.16238%0.378CS..  trans-55.5138.2175.8-2436.2000111.3Q40 P84 H108 Y110Q40-P82 PolarHBondContact NE2-O 3.34Å; P82-P84 VanDerWaalsContact C-CD 3.41Å; P82-H108 WeakPolarHBondContact CG-ND1 3.38Å; P82-Y110 WeakPolarHBondContact CD-OH 3.14Å
83E85.2Confident91.7Very high149 Ų14971.1 Ų71.170%0.69636%0.362SS*.SBendtrans-60-38.2-176.7-167.8168.9-165.700115.9F81 R85F81-E83 PolarHBondContact O-N 3.24Å; E83-R85 PolarHBondContact O-N 3.43Å
84P88.9Confident91.7Very high85 Ų8569.3 Ų69.355%0.55235%0.346SS*.SBendtrans-65.6128.8-175.517.2-22000111.7P82 Y88P82-P84 VanDerWaalsContact C-CD 3.41Å; P84-Y88 WeakPolarHBondContact CG-OH 3.16Å; P84-Y88 VanDerWaalsContact O-CE2 3.26Å; P84-Y88 WeakPolarHBondContact O-CE2 3.43Å; P84-Y88 PolarHBondContact O-OH 2.97Å
85R91Very high91.6Very high193 Ų19369.1 Ų69.173%0.72834%0.344SS*.  trans-68.4150.8175.2-62.9173.2-163.7163.65.4110.6Q40 T41 E83Q40-R85 WeakPolarHBondContact O-CA 3.44Å; Q40-R85 WeakPolarHBondContact O-CB 3.47Å; T41-R85 VanDerWaalsContact O-CD 3.29Å; T41-R85 WeakPolarHBondContact O-CD 3.28Å; E83-R85 PolarHBondContact O-N 3.43Å
86G92Very high91.6Very high28 Ų2865 Ų6529%0.28931%0.313SS..EExtended strand (participates in β ladder)trans148.3-169.4177.800000113.3Q40Q40-G86 PolarHBondContact N-O 2.86Å; Q40-G86 PolarHBondContact O-N 3.33Å
87L93.5Very high91.3Very high98 Ų9862.6 Ų62.651%0.51330%0.298SS..EExtended strand (participates in β ladder)trans-92.6114.5-178.2-160.169.3000110Q37 N39 I136Q37-L87 HydrophobicContact CB-CD1 4.33Å; Q37-L87 HydrophobicContact CB-CG 4.3Å; N39-L87 HydrophobicContact CB-CD1 3.88Å; L87-I136 HydrophobicContact CD1-CD1 4.21Å
88Y95.6Very high91.2Very high37 Ų3764.5 Ų64.515%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-105.3127.1178.8-74.8-80.6000111.1Q37 R38 Q40 P84 Y105Q37-Y88 CarbonylContact C-O 3.57Å; Q37-Y88 VanDerWaalsContact CA-O 3.3Å; Q37-Y88 WeakPolarHBondContact CA-O 3.36Å; R38-Y88 PolarHBondContact N-O 3.34Å; R38-Y88 PolarHBondContact O-N 3.4Å; Q40-Y88 HydrophobicContact CB-CD2 4.03Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; P84-Y88 WeakPolarHBondContact CG-OH 3.16Å; P84-Y88 VanDerWaalsContact O-CE2 3.26Å; P84-Y88 WeakPolarHBondContact O-CE2 3.43Å; P84-Y88 PolarHBondContact O-OH 2.97Å; Y88-Y105 VanDerWaalsContact CB-CE1 3.49Å; Y88-Y105 WeakPolarHBondContact CB-OH 3.43Å; Y88-Y105 HydrophobicContact CD1-CD1 4.18Å; Y88-Y105 AromaticContact CD1-CE1 3.8Å; Y88-Y105 HydrophobicContact CD1-CE1 3.8Å; Y88-Y105 AromaticContact CD2-CE1 3.64Å; Y88-Y105 HydrophobicContact CD2-CE1 3.64Å; Y88-Y105 AromaticContact CD2-CZ 3.85Å; Y88-Y105 WeakPolarHBondContact CD2-OH 3.39Å; Y88-Y105 HydrophobicContact CE1-CE1 4.44Å; Y88-Y105 HydrophobicContact CE2-CE1 4.29Å; Y88-Y105 HydrophobicContact CG-CD1 4.12Å; Y88-Y105 AromaticContact CG-CE1 3.35Å; Y88-Y105 HydrophobicContact CG-CE1 3.35Å; Y88-Y105 AromaticContact CG-CZ 3.67Å
89H96.4Very high91.3Very high103 Ų10361.8 Ų61.848%0.47729%0.294SS..EExtended strand (participates in β ladder)trans-76.2136.8166.5-164.162.2000109.7G36 G106G36-H89 WeakPolarHBondContact O-CA 3.5Å; G36-H89 PolarHBondContact O-ND1 3.08Å; H89-G106 PolarHBondContact O-N 3.38Å
90F96.5Very high91.6Very high2 Ų259.1 Ų59.11%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-137.3152.817775.3-88000111.4F34 C35 G36 R38 L103 R104 Y105 L135F34-F90 HydrophobicContact CD1-CE2 4Å; F34-F90 AromaticContact CE1-CE2 3.72Å; F34-F90 HydrophobicContact CE1-CE2 3.72Å; F34-F90 AromaticContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CZ-CZ 4.41Å; C35-F90 CarbonylContact C-O 3.58Å; C35-F90 VanDerWaalsContact CA-O 3.23Å; C35-F90 WeakPolarHBondContact CA-O 3.44Å; G36-F90 PolarHBondContact N-O 3.31Å; G36-F90 WeakPolarHBondContact O-CD1 3.29Å; G36-F90 PolarHBondContact O-N 2.93Å; R38-F90 HydrophobicContact CB-CD1 4.11Å; R38-F90 HydrophobicContact CB-CE1 4.29Å; F90-L103 HydrophobicContact CB-CD1 4.29Å; F90-L103 HydrophobicContact CD2-CD1 3.86Å; F90-L103 HydrophobicContact CG-CD1 4.48Å; F90-R104 CarbonylContact C-O 3.53Å; F90-R104 WeakPolarHBondContact CA-O 3.26Å; F90-R104 WeakPolarHBondContact CB-O 3.26Å; F90-Y105 HydrophobicContact CB-CD2 3.55Å; F90-Y105 HydrophobicContact CB-CE2 4.21Å; F90-Y105 HydrophobicContact CB-CG 4.37Å; F90-Y105 HydrophobicContact CG-CD2 4.34Å; F90-L135 HydrophobicContact CE1-CD1 4.46Å; F90-L135 HydrophobicContact CE1-CD2 3.84Å; F90-L135 HydrophobicContact CZ-CD1 3.91Å; F90-L135 HydrophobicContact CZ-CD2 4.13Å; F90-L135 HydrophobicContact CZ-CG 4.45Å
91C96.8Very high91.9Very high8 Ų853.4 Ų53.45%0.05426%0.259CS..EExtended strand (participates in β ladder)trans-141.1125.7170.7-70.30000109.8F34 C35 Y93 R104F34-C91 CarbonylContact O-C 3.53Å; F34-C91 VanDerWaalsContact O-CA 3.31Å; F34-C91 WeakPolarHBondContact O-CA 3.48Å; C35-C91 HydrophobicContact CB-CB 4.15Å; C35-C91 WeakPolarHBondContact CB-SG 3.33Å; C35-C91 WeakPolarHBondContact SG-CB 3.34Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 3.31Å; C91-Y93 HydrophobicContact CB-CD2 4.06Å; C91-Y93 HydrophobicContact CB-CE1 4.22Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 WeakPolarHBondContact CB-OH 3.39Å; C91-Y93 WeakPolarHBondContact O-CD2 3.41Å; C91-Y93 WeakPolarHBondContact O-CE2 3.17Å; C91-R104 PolarHBondContact N-O 3.44Å; C91-R104 PolarHBondContact O-N 3.18Å
92L96.4Very high92Very high1 Ų155.1 Ų55.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-90119.6169.7-179.762.6000108.5F32 R33 F34 I56 V58 I67 L101 L103 L112F32-L92 HydrophobicContact CE1-CD2 4.4Å; R33-L92 CarbonylContact C-O 3.52Å; R33-L92 WeakPolarHBondContact CA-O 3.38Å; F34-L92 HydrophobicContact CB-CB 4.39Å; F34-L92 PolarHBondContact N-O 3.49Å; F34-L92 PolarHBondContact O-N 3.49Å; I56-L92 HydrophobicContact CG2-CD2 3.71Å; V58-L92 HydrophobicContact CG2-CD2 3.98Å; I67-L92 HydrophobicContact CD1-CD1 4.18Å; I67-L92 HydrophobicContact CG2-CD2 4.13Å; L92-L101 HydrophobicContact CD1-CD1 3.83Å; L92-L101 HydrophobicContact CD1-CG 4.25Å; L92-L101 HydrophobicContact CG-CD1 4.26Å; L92-L103 HydrophobicContact CB-CD1 4.22Å; L92-L103 HydrophobicContact CD1-CB 4.31Å; L92-L112 HydrophobicContact CD1-CD1 3.65Å
93Y95.1Very high92.4Very high32 Ų3254 Ų5413%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-115.3133.5-179-60.6-86.2000110.1E30 F32 R33 C91 L101 H102 R104E30-Y93 HydrophobicContact CG-CD1 3.97Å; F32-Y93 WeakPolarHBondContact O-CA 3.34Å; R33-Y93 HydrophobicContact CB-CD1 4.26Å; R33-Y93 HydrophobicContact CB-CE1 4.49Å; R33-Y93 HydrophobicContact CG-CD1 3.88Å; R33-Y93 HydrophobicContact CG-CE1 3.68Å; C91-Y93 HydrophobicContact CB-CD2 4.06Å; C91-Y93 HydrophobicContact CB-CE1 4.22Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 WeakPolarHBondContact CB-OH 3.39Å; C91-Y93 WeakPolarHBondContact O-CD2 3.41Å; C91-Y93 WeakPolarHBondContact O-CE2 3.17Å; Y93-L101 WeakPolarHBondContact O-CA 3.39Å; Y93-H102 WeakPolarHBondContact CB-NE2 3.22Å; Y93-H102 AromaticContact CD2-CE1 3.74Å; Y93-H102 AromaticContact CD2-NE2 3.88Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 2.84Å; Y93-H102 PolarHBondContact O-N 3.11Å; Y93-R104 HydrophobicContact CD2-CB 4.42Å; Y93-R104 HydrophobicContact CE2-CB 3.88Å
94W94Very high92.9Very high3 Ų353.5 Ų53.51%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-124.3130.8168.3169.750.6000109.1D31 F32 F71 R96 R100 L101 A116 R118 L120 F161D31-W94 HydrophobicContact CB-CD2 4.39Å; D31-W94 HydrophobicContact CB-CE3 4.02Å; D31-W94 HydrophobicContact CB-CH2 4.41Å; D31-W94 HydrophobicContact CB-CZ3 4.02Å; D31-W94 PolarHBondContact N-O 3.39Å; F32-W94 HydrophobicContact CB-CB 4.17Å; F32-W94 HydrophobicContact CB-CE3 3.7Å; F32-W94 HydrophobicContact CD1-CB 4.5Å; F32-W94 PolarHBondContact N-O 3.49Å; F32-W94 PolarHBondContact O-N 2.89Å; F71-W94 HydrophobicContact CE1-CZ2 4.42Å; F71-W94 AromaticContact CE1-NE1 3.95Å; F71-W94 AromaticContact CE2-CD1 3.86Å; F71-W94 HydrophobicContact CE2-CD2 4.42Å; F71-W94 HydrophobicContact CE2-CG 4.22Å; F71-W94 AromaticContact CE2-NE1 3.88Å; F71-W94 AromaticContact CZ-CD1 3.86Å; F71-W94 HydrophobicContact CZ-CD2 4.05Å; F71-W94 AromaticContact CZ-CE2 3.53Å; F71-W94 HydrophobicContact CZ-CG 4.27Å; F71-W94 AromaticContact CZ-CZ2 3.97Å; F71-W94 HydrophobicContact CZ-CZ2 3.97Å; F71-W94 AromaticContact CZ-NE1 3.38Å; W94-R96 HydrophobicContact CZ2-CB 4.04Å; W94-R100 WeakPolarHBondContact CA-O 3.49Å; W94-L101 HydrophobicContact CB-CD1 3.72Å; W94-L101 HydrophobicContact CG-CD1 4.42Å; W94-A116 PolarHBondContact NE1-O 3.4Å; W94-R118 WeakPolarHBondContact CZ2-O 3.47Å; W94-L120 HydrophobicContact CH2-CB 3.67Å; W94-L120 WeakPolarHBondContact CH2-O 3.41Å; W94-L120 HydrophobicContact CZ2-CB 4.32Å; W94-L120 HydrophobicContact CZ3-CB 4.31Å; W94-F161 HydrophobicContact CE3-CE1 4.16Å; W94-F161 HydrophobicContact CZ3-CD1 4.22Å; W94-F161 AromaticContact CZ3-CE1 3.82Å; W94-F161 HydrophobicContact CZ3-CE1 3.82Å
95S90.9Very high93.2Very high8 Ų849.4 Ų49.46%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-134.1128.1164.9-166.50000113.2D31 H97 T98 G99 R100 L222D31-S95 WeakPolarHBondContact OD2-CA 3.43Å; D31-S95 PolarHBondContact OD2-OG 2.99Å; S95-H97 PolarHBondContact OG-CE1 3.07Å; S95-H97 PolarHBondContact OG-ND1 3.39Å; S95-T98 PolarHBondContact O-OG1 3.42Å; S95-G99 PolarHBondContact O-N 2.85Å; S95-G99 VanDerWaalsContact O-N 3.09Å; S95-R100 PolarHBondContact N-O 3.17Å; S95-R100 PolarHBondContact O-N 2.92Å; S95-R100 VanDerWaalsContact O-N 3.09Å; S95-L222 WeakPolarHBondContact OG-CD2 3.22Å
96R87.2Confident93.3Very high30 Ų3041.6 Ų41.611%0.11321%0.205CC..THydrogen-bonded Turntrans-67.8-43.3-177.2-174.5-172.959.675.98.7111.3D31 W94 G99 S117 L222D31-R96 PolarHBondContact OD2-N 3.44Å; W94-R96 HydrophobicContact CZ2-CB 4.04Å; R96-G99 PolarHBondContact O-N 2.99Å; R96-G99 VanDerWaalsContact O-N 3.12Å; R96-S117 WeakPolarHBondContact CG-O 3.44Å; R96-L222 PolarHBondContact NH2-O 2.87Å
97H83.6Confident93.2Very high92 Ų9250 Ų5043%0.42623%0.233SC..THydrogen-bonded Turntrans-67.3-38.6-176.679.3-76.5000112.7S95 G99 L222S95-H97 PolarHBondContact OG-CE1 3.07Å; S95-H97 PolarHBondContact OG-ND1 3.39Å; H97-G99 VanDerWaalsContact C-N 3.28Å; H97-L222 VanDerWaalsContact CE1-CD2 3.43Å; H97-L222 WeakPolarHBondContact CE1-CD2 3.35Å; H97-L222 WeakPolarHBondContact ND1-CD2 3.35Å
98T86.9Confident93.2Very high72 Ų7250.2 Ų50.244%0.44223%0.231SC..THydrogen-bonded Turntrans-80.6-11.8173.258.90000112.8S95 R100S95-T98 PolarHBondContact O-OG1 3.42Å; T98-R100 PolarHBondContact O-N 3.38Å
99G90.1Very high93.1Very high7 Ų753 Ų537%0.07225%0.249CC..THydrogen-bonded Turntrans61.829.3-173.300000113.6S95 R96 H97 S114 Q115 A116S95-G99 PolarHBondContact O-N 2.85Å; S95-G99 VanDerWaalsContact O-N 3.09Å; R96-G99 PolarHBondContact O-N 2.99Å; R96-G99 VanDerWaalsContact O-N 3.12Å; H97-G99 VanDerWaalsContact C-N 3.28Å; G99-S114 CarbonylContact O-C 3.5Å; G99-Q115 PolarHBondContact O-N 3.49Å; G99-A116 PolarHBondContact O-N 3.42Å
100R93Very high93Very high141 Ų14148.8 Ų48.853%0.53223%0.229SC..EExtended strand (participates in β ladder)trans-116.3133.5-173.5-68.2-170.9-178.5-173.5-0.3112W94 S95 T98 L111W94-R100 WeakPolarHBondContact CA-O 3.49Å; S95-R100 PolarHBondContact N-O 3.17Å; S95-R100 PolarHBondContact O-N 2.92Å; S95-R100 VanDerWaalsContact O-N 3.09Å; T98-R100 PolarHBondContact O-N 3.38Å; R100-L111 HydrophobicContact CB-CD1 4.35Å; R100-L111 HydrophobicContact CG-CD1 4.22Å
101L95.3Very high92.9Very high0 Ų051.9 Ų51.90%025%0.245CC..EExtended strand (participates in β ladder)trans-115119.7161.3178.774.7000107.2Y48 A69 F71 L92 Y93 W94 L112 S113 A116Y48-L101 HydrophobicContact CE2-CD2 3.58Å; A69-L101 HydrophobicContact CB-CD2 3.68Å; F71-L101 HydrophobicContact CD2-CB 4.29Å; F71-L101 HydrophobicContact CD2-CD2 3.96Å; F71-L101 HydrophobicContact CE2-CD2 4.46Å; L92-L101 HydrophobicContact CD1-CD1 3.83Å; L92-L101 HydrophobicContact CD1-CG 4.25Å; L92-L101 HydrophobicContact CG-CD1 4.26Å; Y93-L101 WeakPolarHBondContact O-CA 3.39Å; W94-L101 HydrophobicContact CB-CD1 3.72Å; W94-L101 HydrophobicContact CG-CD1 4.42Å; L101-L112 HydrophobicContact CD2-CB 4.01Å; L101-L112 HydrophobicContact CD2-CD1 4.09Å; L101-L112 HydrophobicContact CG-CB 4.12Å; L101-L112 HydrophobicContact CG-CD1 4.17Å; L101-L112 WeakPolarHBondContact O-CA 3.49Å; L101-L112 WeakPolarHBondContact O-CB 3.33Å; L101-L112 PolarHBondContact O-N 3.23Å; L101-S113 PolarHBondContact N-O 3.17Å; L101-S113 PolarHBondContact O-N 3.04Å; L101-A116 HydrophobicContact CB-CB 4.17Å
102H95.4Very high92.8Very high44 Ų4451.5 Ų51.520%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-141.9148.2-179.372.4115.9000112.2Y93 D109 Y110 L111Y93-H102 WeakPolarHBondContact CB-NE2 3.22Å; Y93-H102 AromaticContact CD2-CE1 3.74Å; Y93-H102 AromaticContact CD2-NE2 3.88Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 2.84Å; Y93-H102 PolarHBondContact O-N 3.11Å; H102-D109 IonicContact CE1-OD1 2.68Å; H102-D109 IonicContact CE1-OD2 2.64Å; H102-D109 IonicContact CG-OD1 3.04Å; H102-D109 VanDerWaalsContact ND1-CG 3.28Å; H102-D109 IonicContact ND1-OD1 2.62Å; H102-D109 PolarHBondContact ND1-OD1 2.83Å; H102-D109 IonicContact ND1-OD2 2.59Å; H102-D109 PolarHBondContact ND1-OD2 3.49Å; H102-Y110 CarbonylContact C-O 3.51Å; H102-Y110 VanDerWaalsContact CA-O 3.27Å; H102-Y110 WeakPolarHBondContact CA-O 3.23Å; H102-Y110 WeakPolarHBondContact CB-O 3.43Å; H102-L111 HydrophobicContact CB-CD1 4.21Å
103L96.6Very high92.8Very high1 Ų151.5 Ų51.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-110.5111.5178.4174.872.8000108.9L46 L65 I67 F81 F90 L92 Y110 L112L46-L103 HydrophobicContact CD1-CD2 3.74Å; L46-L103 HydrophobicContact CD2-CD2 4.31Å; L65-L103 HydrophobicContact CD2-CD2 3.98Å; I67-L103 HydrophobicContact CD1-CB 4.39Å; I67-L103 HydrophobicContact CD1-CD1 4.14Å; I67-L103 HydrophobicContact CD1-CD2 3.85Å; I67-L103 HydrophobicContact CD1-CG 4.35Å; F81-L103 HydrophobicContact CE1-CD2 4.22Å; F81-L103 HydrophobicContact CZ-CD2 4.16Å; F90-L103 HydrophobicContact CB-CD1 4.29Å; F90-L103 HydrophobicContact CD2-CD1 3.86Å; F90-L103 HydrophobicContact CG-CD1 4.48Å; L92-L103 HydrophobicContact CB-CD1 4.22Å; L92-L103 HydrophobicContact CD1-CB 4.31Å; L103-Y110 PolarHBondContact N-O 3.35Å; L103-Y110 WeakPolarHBondContact O-CD2 3.26Å; L103-Y110 PolarHBondContact O-N 2.92Å; L103-L112 HydrophobicContact CB-CD1 4.14Å; L103-L112 HydrophobicContact CB-CD2 4.47Å; L103-L112 HydrophobicContact CB-CG 4.36Å
104R96Very high92.6Very high138 Ų13853.2 Ų53.252%0.52126%0.259SS..EExtended strand (participates in β ladder)trans-84.2118.2167.7-167174.9-178.4176.22.3108.8F90 C91 Y93 H108F90-R104 CarbonylContact C-O 3.53Å; F90-R104 WeakPolarHBondContact CA-O 3.26Å; F90-R104 WeakPolarHBondContact CB-O 3.26Å; C91-R104 PolarHBondContact N-O 3.44Å; C91-R104 PolarHBondContact O-N 3.18Å; Y93-R104 HydrophobicContact CD2-CB 4.42Å; Y93-R104 HydrophobicContact CE2-CB 3.88Å; R104-H108 CarbonylContact C-O 3.56Å; R104-H108 WeakPolarHBondContact CA-O 3.34Å
105Y95.5Very high92.4Very high0 Ų059 Ų590%029%0.286CS..EExtended strand (participates in β ladder)trans-126.5109.1-178.2-170.3-89.3000110.1R38 Q40 F81 Y88 F90 K107 H108R38-Y105 HydrophobicContact CB-CE2 3.96Å; R38-Y105 WeakPolarHBondContact CD-OH 3.14Å; R38-Y105 HydrophobicContact CG-CE2 4.38Å; Q40-Y105 PolarHBondContact OE1-OH 3.23Å; F81-Y105 HydrophobicContact CB-CE1 4.3Å; F81-Y105 AromaticContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD1 3.45Å; F81-Y105 VanDerWaalsContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD2 4.27Å; F81-Y105 AromaticContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE2 4.48Å; F81-Y105 AromaticContact CD1-CG 3.78Å; F81-Y105 HydrophobicContact CD1-CG 3.78Å; F81-Y105 AromaticContact CE1-CD1 3.74Å; F81-Y105 HydrophobicContact CE1-CD1 3.74Å; F81-Y105 AromaticContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CE1 4.13Å; F81-Y105 HydrophobicContact CE1-CE2 4.18Å; F81-Y105 AromaticContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CG-CD1 4.23Å; F81-Y105 AromaticContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CZ-CD2 4.12Å; F81-Y105 HydrophobicContact CZ-CE2 4.28Å; F81-Y105 HydrophobicContact CZ-CG 4.36Å; Y88-Y105 VanDerWaalsContact CB-CE1 3.49Å; Y88-Y105 WeakPolarHBondContact CB-OH 3.43Å; Y88-Y105 HydrophobicContact CD1-CD1 4.18Å; Y88-Y105 AromaticContact CD1-CE1 3.8Å; Y88-Y105 HydrophobicContact CD1-CE1 3.8Å; Y88-Y105 AromaticContact CD2-CE1 3.64Å; Y88-Y105 HydrophobicContact CD2-CE1 3.64Å; Y88-Y105 AromaticContact CD2-CZ 3.85Å; Y88-Y105 WeakPolarHBondContact CD2-OH 3.39Å; Y88-Y105 HydrophobicContact CE1-CE1 4.44Å; Y88-Y105 HydrophobicContact CE2-CE1 4.29Å; Y88-Y105 HydrophobicContact CG-CD1 4.12Å; Y88-Y105 AromaticContact CG-CE1 3.35Å; Y88-Y105 HydrophobicContact CG-CE1 3.35Å; Y88-Y105 AromaticContact CG-CZ 3.67Å; F90-Y105 HydrophobicContact CB-CD2 3.55Å; F90-Y105 HydrophobicContact CB-CE2 4.21Å; F90-Y105 HydrophobicContact CB-CG 4.37Å; F90-Y105 HydrophobicContact CG-CD2 4.34Å; Y105-K107 PolarHBondContact O-N 3Å; Y105-H108 PolarHBondContact N-O 3.5Å; Y105-H108 PolarHBondContact O-N 3.06Å
106G92.5Very high92.4Very high29 Ų2958.6 Ų58.630%0.29928%0.283SS..THydrogen-bonded Turntrans60.2-116.3-171.200000111.9H89H89-G106 PolarHBondContact O-N 3.38Å
107K91.1Very high92.2Very high203 Ų20360.9 Ų60.988%0.88330%0.304SS*.THydrogen-bonded Turntrans-94-7.2176.6-65.9-174.1-179.6-179.80113.9Y105Y105-K107 PolarHBondContact O-N 3Å
108H92.6Very high92.3Very high103 Ų10362.8 Ų62.848%0.47731%0.307SS..EExtended strand (participates in β ladder)trans-102.4153.2-175.5-6489.7000111.2P82 R104 Y105 Y110P82-H108 WeakPolarHBondContact CG-ND1 3.38Å; R104-H108 CarbonylContact C-O 3.56Å; R104-H108 WeakPolarHBondContact CA-O 3.34Å; Y105-H108 PolarHBondContact N-O 3.5Å; Y105-H108 PolarHBondContact O-N 3.06Å; H108-Y110 HydrophobicContact CB-CD2 4.32Å; H108-Y110 HydrophobicContact CB-CE2 3.55Å
109D93.3Very high92.1Very high95 Ų9561 Ų6151%0.50830%0.295SS..EExtended strand (participates in β ladder)trans-125123.2177.1-166.57000109.7H102H102-D109 IonicContact CE1-OD1 2.68Å; H102-D109 IonicContact CE1-OD2 2.64Å; H102-D109 IonicContact CG-OD1 3.04Å; H102-D109 VanDerWaalsContact ND1-CG 3.28Å; H102-D109 IonicContact ND1-OD1 2.62Å; H102-D109 PolarHBondContact ND1-OD1 2.83Å; H102-D109 IonicContact ND1-OD2 2.59Å; H102-D109 PolarHBondContact ND1-OD2 3.49Å
110Y94.4Very high91.8Very high15 Ų1561 Ų616%0.05929%0.293CS..EExtended strand (participates in β ladder)trans-111.7110.2-173.4-63.4-101.7000108.9L46 P78 F81 P82 H102 L103 H108 L112L46-Y110 HydrophobicContact CD2-CD1 3.51Å; L46-Y110 HydrophobicContact CD2-CE1 4.28Å; L46-Y110 HydrophobicContact CD2-CG 3.69Å; P78-Y110 HydrophobicContact CB-CD1 3.95Å; P78-Y110 HydrophobicContact CB-CE1 3.85Å; P78-Y110 HydrophobicContact CG-CD1 3.84Å; P78-Y110 HydrophobicContact CG-CE1 4.14Å; F81-Y110 HydrophobicContact CD1-CE2 4.17Å; F81-Y110 AromaticContact CD1-CZ 3.94Å; F81-Y110 HydrophobicContact CE1-CE2 4.18Å; P82-Y110 WeakPolarHBondContact CD-OH 3.14Å; H102-Y110 CarbonylContact C-O 3.51Å; H102-Y110 VanDerWaalsContact CA-O 3.27Å; H102-Y110 WeakPolarHBondContact CA-O 3.23Å; H102-Y110 WeakPolarHBondContact CB-O 3.43Å; L103-Y110 PolarHBondContact N-O 3.35Å; L103-Y110 WeakPolarHBondContact O-CD2 3.26Å; L103-Y110 PolarHBondContact O-N 2.92Å; H108-Y110 HydrophobicContact CB-CD2 4.32Å; H108-Y110 HydrophobicContact CB-CE2 3.55Å; Y110-L112 PolarHBondContact O-N 3.09Å
111L94.6Very high91.1Very high68 Ų6854.8 Ų54.836%0.35627%0.271SS..EExtended strand (participates in β ladder)trans-75.5112.5175.9-174.468.6000109.8R100 H102R100-L111 HydrophobicContact CB-CD1 4.35Å; R100-L111 HydrophobicContact CG-CD1 4.22Å; H102-L111 HydrophobicContact CB-CD1 4.21Å
112L95.2Very high90.2Very high0 Ų055.6 Ų55.60%028%0.275CS..EExtended strand (participates in β ladder)trans-88.9-37-178.6-54.3-177.7000111.8L46 Y48 I67 A74 I77 L92 L101 L103 Y110L46-L112 HydrophobicContact CD1-CD2 4.45Å; L46-L112 HydrophobicContact CD2-CD2 3.95Å; Y48-L112 HydrophobicContact CD2-CB 3.8Å; Y48-L112 HydrophobicContact CD2-CD1 3.95Å; Y48-L112 HydrophobicContact CD2-CD2 4.42Å; Y48-L112 HydrophobicContact CD2-CG 4.28Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.33Å; Y48-L112 HydrophobicContact CG-CB 4.17Å; I67-L112 HydrophobicContact CB-CD1 4.31Å; I67-L112 HydrophobicContact CD1-CD1 3.82Å; I67-L112 HydrophobicContact CG2-CD1 3.93Å; A74-L112 PolarHBondContact N-O 3.4Å; I77-L112 WeakPolarHBondContact CD1-O 3.4Å; I77-L112 HydrophobicContact CG2-CD2 4.39Å; L92-L112 HydrophobicContact CD1-CD1 3.65Å; L101-L112 HydrophobicContact CD2-CB 4.01Å; L101-L112 HydrophobicContact CD2-CD1 4.09Å; L101-L112 HydrophobicContact CG-CB 4.12Å; L101-L112 HydrophobicContact CG-CD1 4.17Å; L101-L112 WeakPolarHBondContact O-CA 3.49Å; L101-L112 WeakPolarHBondContact O-CB 3.33Å; L101-L112 PolarHBondContact O-N 3.23Å; L103-L112 HydrophobicContact CB-CD1 4.14Å; L103-L112 HydrophobicContact CB-CD2 4.47Å; L103-L112 HydrophobicContact CB-CG 4.36Å; Y110-L112 PolarHBondContact O-N 3.09Å
113S94.7Very high89.1Confident0 Ų056 Ų560%028%0.277CS..EExtended strand (participates in β ladder)trans-147.8138.3176.3-1750000111.4F71 L72 L101 Q115F71-S113 WeakPolarHBondContact CB-OG 3.43Å; L72-S113 WeakPolarHBondContact O-CB 3.38Å; L72-S113 PolarHBondContact O-OG 2.97Å; L101-S113 PolarHBondContact N-O 3.17Å; L101-S113 PolarHBondContact O-N 3.04Å; S113-Q115 PolarHBondContact OG-N 3.36Å
114S92.1Very high88.4Confident68 Ų6862.5 Ų62.548%0.47631%0.305SS..SBendtrans-100.81.2172.456.70000113.7G99G99-S114 CarbonylContact O-C 3.5Å
115Q90.2Very high87.8Confident124 Ų12459 Ų5958%0.57930%0.295SS*.  trans-128.943.4-177.3-64.7-173.8-500111.9G99 S113 S117G99-Q115 PolarHBondContact O-N 3.49Å; S113-Q115 PolarHBondContact OG-N 3.36Å; Q115-S117 VanDerWaalsContact C-N 3.33Å; Q115-S117 PolarHBondContact O-N 2.93Å
116A89.6Confident87.3Confident0 Ų063.1 Ų63.10%031%0.314CS..  trans-93.741.2-178.400000113.3F71 W94 G99 L101F71-A116 HydrophobicContact CB-CB 4.03Å; F71-A116 HydrophobicContact CD1-CB 3.72Å; F71-A116 HydrophobicContact CD2-CB 3.77Å; F71-A116 HydrophobicContact CE1-CB 4.05Å; F71-A116 HydrophobicContact CE2-CB 4.1Å; F71-A116 HydrophobicContact CG-CB 3.56Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; W94-A116 PolarHBondContact NE1-O 3.4Å; G99-A116 PolarHBondContact O-N 3.42Å; L101-A116 HydrophobicContact CB-CB 4.17Å
117S84.6Confident86.7Confident78 Ų7869.9 Ų69.955%0.54534%0.338SS..  trans-88.60.1-175.154.70000114.8R96 Q115R96-S117 WeakPolarHBondContact CG-O 3.44Å; Q115-S117 VanDerWaalsContact C-N 3.33Å; Q115-S117 PolarHBondContact O-N 2.93Å
118R84.2Confident86.3Confident132 Ų13261.3 Ų61.350%0.49830%0.304SS..  trans-63.4136-179-172.5178.1179.7174.11.3111.5F71 W94 L120F71-R118 HydrophobicContact CE1-CB 4.2Å; W94-R118 WeakPolarHBondContact CZ2-O 3.47Å; R118-L120 HydrophobicContact CG-CD2 4.45Å; R118-L120 HydrophobicContact CG-CG 4.26Å; R118-L120 PolarHBondContact O-N 2.92Å
119L83.1Confident86Confident35 Ų3563.6 Ų63.618%0.18332%0.318CS..  trans-71.1111.3173.5-178.463.3000110.5M176 K180 F228L119-M176 HydrophobicContact CD1-CB 4.14Å; L119-M176 HydrophobicContact CD1-CE 3.31Å; L119-K180 HydrophobicContact CD2-CB 3.98Å; L119-K180 HydrophobicContact CD2-CD 3.99Å; L119-K180 HydrophobicContact CD2-CG 3.96Å; L119-F228 HydrophobicContact CD2-CE1 4.3Å
120L83Confident85.8Confident6 Ų664.5 Ų64.53%0.03132%0.318CS..  trans-135.5145.2175.1-64.3174.7000108.7P54 P70 F71 W94 R118 F161P54-L120 HydrophobicContact CB-CD2 4.24Å; P70-L120 HydrophobicContact CG-CD1 3.63Å; F71-L120 HydrophobicContact CE1-CD1 3.94Å; F71-L120 HydrophobicContact CZ-CD1 3.91Å; W94-L120 HydrophobicContact CH2-CB 3.67Å; W94-L120 WeakPolarHBondContact CH2-O 3.41Å; W94-L120 HydrophobicContact CZ2-CB 4.32Å; W94-L120 HydrophobicContact CZ3-CB 4.31Å; R118-L120 HydrophobicContact CG-CD2 4.45Å; R118-L120 HydrophobicContact CG-CG 4.26Å; R118-L120 PolarHBondContact O-N 2.92Å; L120-F161 HydrophobicContact CB-CB 3.89Å; L120-F161 HydrophobicContact CB-CD1 4.01Å; L120-F161 HydrophobicContact CB-CG 4.11Å; L120-F161 HydrophobicContact CD1-CB 4.48Å; L120-F161 HydrophobicContact CD2-CB 4.31Å; L120-F161 HydrophobicContact CG-CB 4.46Å
121C79.4Confident85.5Confident11 Ų1172 Ų727%0.07435%0.354CS..EExtended strand (participates in β ladder)trans-122.2128.9176.8-59.30000110.2Q123 Q144 F161 H162 C177C121-Q123 PolarHBondContact O-N 3.22Å; C121-Q144 VanDerWaalsContact CB-NE2 3.34Å; C121-Q144 PolarHBondContact SG-NE2 3.27Å; C121-Q144 VanDerWaalsContact SG-NE2 3.36Å; C121-F161 VanDerWaalsContact O-CA 3.29Å; C121-F161 WeakPolarHBondContact O-CA 3.22Å; C121-H162 PolarHBondContact O-N 2.64Å; C121-C177 HydrophobicContact CB-CB 3.79Å; C121-C177 WeakPolarHBondContact CB-SG 3.23Å; C121-C177 WeakPolarHBondContact SG-CB 3.38Å; C121-C177 CovalentContact SG-SG 2.02Å; C121-C177 PolarHBondContact SG-SG 3.48Å
122F76.9Confident85.4Confident18 Ų1870.6 Ų70.68%0.07936%0.355CS..EExtended strand (participates in β ladder)trans-69.4126.5-178.4179.8-104.4000109.7F32 S142 I145 F159 F161F32-F122 HydrophobicContact CD2-CD2 4.23Å; F32-F122 HydrophobicContact CE2-CD2 4.09Å; F32-F122 HydrophobicContact CE2-CE2 4.21Å; F122-S142 WeakPolarHBondContact CD1-OG 3.01Å; F122-I145 HydrophobicContact CD1-CD1 4.1Å; F122-I145 HydrophobicContact CE1-CD1 4.04Å; F122-F159 HydrophobicContact CD2-CB 4.23Å; F122-F159 HydrophobicContact CE2-CB 3.65Å; F122-F159 AromaticContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CG 4.02Å; F122-F159 AromaticContact CZ-CD1 3.84Å; F122-F159 HydrophobicContact CZ-CD1 3.84Å; F122-F161 HydrophobicContact CB-CD1 4.06Å; F122-F161 HydrophobicContact CB-CE1 3.76Å; F122-F161 HydrophobicContact CD2-CD1 4.5Å; F122-F161 AromaticContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CZ 4.01Å; F122-F161 HydrophobicContact CG-CE1 4.37Å
123Q71.3Confident85.2Confident53 Ų5371.6 Ų71.625%0.24836%0.363CS..EExtended strand (participates in β ladder)trans-107-58.8-179-172-156.913.200111.3C121 S160 H162 H166C121-Q123 PolarHBondContact O-N 3.22Å; Q123-S160 PolarHBondContact N-O 2.95Å; Q123-S160 VanDerWaalsContact N-O 3.13Å; Q123-H162 PolarHBondContact OE1-CD2 2.84Å; Q123-H162 PolarHBondContact OE1-NE2 3.36Å; Q123-H162 VanDerWaalsContact OE1-NE2 3.14Å; Q123-H166 HydrophobicContact CG-CB 4.33Å; Q123-H166 PolarHBondContact NE2-CD2 2.9Å
124K81.2Confident85.2Confident136 Ų13675.2 Ų75.259%0.59139%0.387SS*.EExtended strand (participates in β ladder)trans-155.1148.2-165.7-173.5179.4173.7-173.50110.6S160K124-S160 PolarHBondContact O-N 3.42Å
125Q83.3Confident85.3Confident64 Ų6472 Ų7230%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-82.5123.1162.5-178.1-169-9.600109.7I158 F159Q125-I158 CarbonylContact C-O 3.2Å; Q125-I158 WeakPolarHBondContact CA-O 3.31Å; Q125-F159 HydrophobicContact CB-CD1 4.29Å; Q125-F159 HydrophobicContact CB-CE1 4.33Å; Q125-F159 HydrophobicContact CG-CD1 4.31Å; Q125-F159 HydrophobicContact CG-CE1 4.09Å
126E84.9Confident85.5Confident88 Ų8869.7 Ų69.741%0.41136%0.355SS..EExtended strand (participates in β ladder)trans-88.1151172.6-69.4-177.8-161.900111.4S128 I158 S160E126-S128 PolarHBondContact O-N 2.87Å; E126-I158 HydrophobicContact CB-CB 3.96Å; E126-I158 HydrophobicContact CB-CG2 3.89Å; E126-I158 HydrophobicContact CG-CG2 4.45Å; E126-I158 PolarHBondContact N-O 3.4Å; E126-S160 WeakPolarHBondContact CG-OG 3.38Å; E126-S160 WeakPolarHBondContact OE1-CB 3.36Å; E126-S160 PolarHBondContact OE1-OG 3.35Å
127Q80.8Confident85.6Confident170 Ų17072.8 Ų72.879%0.79438%0.381SS*.PPolyproline II helixtrans-73.9121.9176.8-174.8175-7.200109.3
128S83.5Confident86.1Confident24 Ų2469.2 Ų69.217%0.16836%0.355CS..  trans-107.2128.9174.4-159.50000110.4E126 S156E126-S128 PolarHBondContact O-N 2.87Å; S128-S156 WeakPolarHBondContact CB-OG 3.33Å; S128-S156 WeakPolarHBondContact OG-CB 3.37Å; S128-S156 PolarHBondContact OG-OG 2.98Å
129L85.6Confident86.6Confident150 Ų15063.9 Ų63.979%0.78534%0.339SS*.  trans-101.316.7-176.9-70.9161.3000112.4
130K89.1Confident87Confident115 Ų11562.7 Ų62.750%0.533%0.333SS..  trans-71.7135.7179.4-60.9-71.3-174.1-177.70110.2F57 W59 P155 S156F57-K130 HydrophobicContact CE2-CG 4.48Å; F57-K130 HydrophobicContact CZ-CG 4.08Å; W59-K130 HydrophobicContact CG-CB 4.47Å; K130-P155 WeakPolarHBondContact O-CB 3.3Å; K130-S156 WeakPolarHBondContact CB-OG 3.32Å; K130-S156 PolarHBondContact N-OG 3.4Å
131Q89.2Confident87.4Confident173 Ų17363.4 Ų63.481%0.80834%0.338SS*.  trans-77.6154.4171.6-64.9179.4-15.100110.4W59W59-Q131 PolarHBondContact NE1-O 3.1Å
132G91.2Very high87.8Confident38 Ų3863 Ų6339%0.39234%0.336SS..SBendtrans157.6-165-178.900000111.7N60 P134N60-G132 CarbonylContact O-C 3.57Å; N60-G132 WeakPolarHBondContact O-CA 3.39Å; G132-P134 WeakPolarHBondContact O-CD 3.45Å
133A92Very high88Confident20 Ų2064.1 Ų64.117%0.16534%0.339CS..PPolyproline II helixtrans-84.9118.2178.300000109.8N60 E62 L135N60-A133 WeakPolarHBondContact CB-O 3.43Å; N60-A133 PolarHBondContact ND2-O 2.68Å; N60-A133 PolarHBondContact O-N 3.08Å; E62-A133 HydrophobicContact CG-CB 4.23Å; A133-L135 PolarHBondContact O-N 3.13Å
134P93.6Very high88.3Confident77 Ų7763.2 Ų63.250%0.534%0.335SS..PPolyproline II helixtrans-60.7134-178.8-22.432.9000112.7G132 P155G132-P134 WeakPolarHBondContact O-CD 3.45Å; P134-P155 HydrophobicContact CG-CG 4.31Å
135L95Very high88.2Confident0 Ų059 Ų590%032%0.319CS..PPolyproline II helixtrans-76.6146.4167.4-62.1169.8000109.4F34 R38 V58 N60 F90 A133 T138 G153 A154 F157F34-L135 HydrophobicContact CE1-CD1 4.44Å; F34-L135 HydrophobicContact CZ-CD1 4.43Å; R38-L135 HydrophobicContact CB-CD2 4.02Å; R38-L135 HydrophobicContact CG-CD2 4.15Å; V58-L135 HydrophobicContact CG1-CD1 4.11Å; N60-L135 HydrophobicContact CB-CD1 4.17Å; N60-L135 HydrophobicContact CB-CD2 3.74Å; N60-L135 HydrophobicContact CB-CG 3.8Å; N60-L135 WeakPolarHBondContact ND2-CD2 3.45Å; F90-L135 HydrophobicContact CE1-CD1 4.46Å; F90-L135 HydrophobicContact CE1-CD2 3.84Å; F90-L135 HydrophobicContact CZ-CD1 3.91Å; F90-L135 HydrophobicContact CZ-CD2 4.13Å; F90-L135 HydrophobicContact CZ-CG 4.45Å; A133-L135 PolarHBondContact O-N 3.13Å; L135-T138 HydrophobicContact CB-CG2 3.7Å; L135-G153 WeakPolarHBondContact O-CA 3.27Å; L135-A154 PolarHBondContact N-O 2.89Å; L135-F157 HydrophobicContact CB-CE2 4.14Å; L135-F157 HydrophobicContact CD1-CD2 4.13Å; L135-F157 HydrophobicContact CD1-CE2 3.97Å
136I93.2Very high88.1Confident76 Ų7659.1 Ų59.139%0.3933%0.325SS..EExtended strand (participates in β ladder)trans-112.6152.1-171.6-53.9162.5000109.3G36 Q37 N39 L87 T138G36-I136 CarbonylContact C-O 3.55Å; Q37-I136 HydrophobicContact CB-CB 4.25Å; Q37-I136 PolarHBondContact N-O 3.22Å; Q37-I136 PolarHBondContact O-N 2.95Å; N39-I136 HydrophobicContact CB-CD1 4.41Å; L87-I136 HydrophobicContact CD1-CD1 4.21Å; I136-T138 PolarHBondContact O-N 3.17Å; I136-T138 VanDerWaalsContact O-N 3.12Å
137A93.3Very high88.1Confident64 Ų6461 Ų6153%0.52933%0.334SS..EExtended strand (participates in β ladder)trans52.337.9175.100000113.5Q37Q37-A137 HydrophobicContact CG-CB 4.36Å
138T94.8Very high88.4Confident3 Ų358.4 Ų58.42%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-71.9137.5-17641.70000111.8F34 C35 L135 I136 L151 P152 F157F34-T138 HydrophobicContact CE2-CG2 4.02Å; F34-T138 HydrophobicContact CZ-CG2 3.81Å; C35-T138 CarbonylContact O-C 3.47Å; C35-T138 VanDerWaalsContact O-CA 3.26Å; C35-T138 WeakPolarHBondContact O-CA 3.47Å; L135-T138 HydrophobicContact CB-CG2 3.7Å; I136-T138 PolarHBondContact O-N 3.17Å; I136-T138 VanDerWaalsContact O-N 3.12Å; T138-L151 PolarHBondContact O-N 2.92Å; T138-L151 PolarHBondContact OG1-O 3.29Å; T138-P152 PolarHBondContact OG1-O 2.88Å; T138-F157 HydrophobicContact CG2-CE1 4.47Å; T138-F157 HydrophobicContact CG2-CE2 3.91Å; T138-F157 HydrophobicContact CG2-CZ 3.67Å
139S93.8Very high88.7Confident21 Ų2160.1 Ų60.115%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-148.6149178.556.80000111.1F34 C35 N148 T149F34-S139 CarbonylContact C-O 3.49Å; F34-S139 WeakPolarHBondContact CA-O 3.43Å; F34-S139 WeakPolarHBondContact CD2-O 3.49Å; C35-S139 PolarHBondContact N-O 3.42Å; C35-S139 PolarHBondContact O-N 3.3Å; S139-N148 WeakPolarHBondContact CB-OD1 3.01Å; S139-T149 CarbonylContact C-O 3.48Å; S139-T149 VanDerWaalsContact CA-O 3.24Å; S139-T149 WeakPolarHBondContact CA-O 3.43Å
140V92.7Very high89Confident9 Ų957.9 Ų57.96%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-133.3142.9-177.969.20000110.9F32 R33 F34 T149 L151 F159F32-V140 HydrophobicContact CD2-CG2 4.34Å; F32-V140 HydrophobicContact CE2-CG2 3.63Å; F32-V140 HydrophobicContact CZ-CG2 4.07Å; R33-V140 CarbonylContact O-C 3.43Å; R33-V140 WeakPolarHBondContact O-CA 3.32Å; F34-V140 HydrophobicContact CD2-CB 4.38Å; V140-T149 PolarHBondContact N-O 2.93Å; V140-T149 PolarHBondContact O-N 2.85Å; V140-L151 HydrophobicContact CB-CD1 3.99Å; V140-L151 HydrophobicContact CG1-CD1 3.77Å; V140-L151 HydrophobicContact CG1-CD2 3.93Å; V140-L151 HydrophobicContact CG1-CG 3.98Å; V140-F159 HydrophobicContact CB-CE1 4.24Å; V140-F159 HydrophobicContact CG1-CE1 4.47Å; V140-F159 HydrophobicContact CG2-CD1 4.4Å; V140-F159 HydrophobicContact CG2-CE1 3.95Å; V140-F159 HydrophobicContact CG2-CZ 4.37Å
141S90.3Very high89.1Confident21 Ų2153.4 Ų53.415%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-141.3150.1168.353.50000109.1R33R33-S141 PolarHBondContact N-O 3.38Å; R33-S141 PolarHBondContact O-N 3.26Å
142S87.5Confident89.2Confident4 Ų450 Ų503%0.02831%0.306CS..EExtended strand (participates in β ladder)trans-142.4170178.461.50000110.3D31 F122 Q144 I145 P146D31-S142 CarbonylContact O-C 3.54Å; D31-S142 VanDerWaalsContact O-CA 3.27Å; D31-S142 WeakPolarHBondContact O-CA 3.49Å; F122-S142 WeakPolarHBondContact CD1-OG 3.01Å; S142-Q144 VanDerWaalsContact C-N 3.26Å; S142-Q144 PolarHBondContact O-N 3.14Å; S142-I145 PolarHBondContact N-O 2.91Å; S142-I145 CarbonylContact O-C 3.54Å; S142-I145 PolarHBondContact O-N 2.99Å; S142-I145 PolarHBondContact OG-N 2.71Å; S142-I145 VanDerWaalsContact OG-N 3.14Å; S142-P146 VanDerWaalsContact O-CA 3.28Å; S142-P146 WeakPolarHBondContact O-CA 3.27Å; S142-P146 VanDerWaalsContact O-N 3.12Å
143W81.7Confident89.2Confident40 Ų4050.7 Ų50.715%0.15231%0.313CS..SBendtrans-57.3-40.5175.2-171.7-108.3000112.5P28 D31 S220 L222P28-W143 HydrophobicContact CB-CE3 4.48Å; D31-W143 PolarHBondContact O-N 3.2Å; W143-S220 PolarHBondContact NE1-O 3.47Å; W143-S220 VanDerWaalsContact NE1-O 3.13Å; W143-L222 HydrophobicContact CH2-CD1 4.43Å; W143-L222 HydrophobicContact CZ3-CB 4.47Å; W143-L222 HydrophobicContact CZ3-CD1 4.05Å
144Q76.9Confident89.3Confident34 Ų3450.9 Ų50.916%0.15932%0.315CS..SBendtrans-77.4-23.2179.4-68.378.911.900114C121 S142 K167 D175C121-Q144 VanDerWaalsContact CB-NE2 3.34Å; C121-Q144 PolarHBondContact SG-NE2 3.27Å; C121-Q144 VanDerWaalsContact SG-NE2 3.36Å; S142-Q144 VanDerWaalsContact C-N 3.26Å; S142-Q144 PolarHBondContact O-N 3.14Å; Q144-K167 PolarHBondContact O-NZ 2.03Å; Q144-D175 VanDerWaalsContact CG-OD1 3.26Å; Q144-D175 WeakPolarHBondContact CG-OD1 3.1Å; Q144-D175 PolarHBondContact NE2-OD1 3.45Å
145I80.5Confident89.3Confident48 Ų4848.7 Ų48.725%0.24630%0.3CS..  trans-131.576.4178.3-50.4177.3000106.7F122 S142 Q147F122-I145 HydrophobicContact CD1-CD1 4.1Å; F122-I145 HydrophobicContact CE1-CD1 4.04Å; S142-I145 PolarHBondContact N-O 2.91Å; S142-I145 CarbonylContact O-C 3.54Å; S142-I145 PolarHBondContact O-N 2.99Å; S142-I145 PolarHBondContact OG-N 2.71Å; S142-I145 VanDerWaalsContact OG-N 3.14Å; I145-Q147 PolarHBondContact O-N 3.46Å
146P80.8Confident89.4Confident66 Ų6648.8 Ų48.843%0.42930%0.301SS..  trans-69-16.6-173.828-36.2000112.4P28 S142P28-P146 HydrophobicContact CG-CB 3.79Å; S142-P146 VanDerWaalsContact O-CA 3.28Å; S142-P146 WeakPolarHBondContact O-CA 3.27Å; S142-P146 VanDerWaalsContact O-N 3.12Å
147Q84.5Confident89.4Confident127 Ų12745.2 Ų45.259%0.59328%0.283SS*.SBendtrans-68.5133.8175.1-6084.10.100110.9I145 T149I145-Q147 PolarHBondContact O-N 3.46Å; Q147-T149 PolarHBondContact O-N 2.88Å; Q147-T149 VanDerWaalsContact O-N 3.14Å; Q147-T149 PolarHBondContact O-OG1 3.1Å
148N87.2Confident89.5Confident117 Ų11743.5 Ų43.563%0.62626%0.264SS*.  trans-71.3108174.9-166.510.6000110.1S139S139-N148 WeakPolarHBondContact CB-OD1 3.01Å
149T89.5Confident89.3Confident60 Ų6043.3 Ų43.337%0.36826%0.264SS..EExtended strand (participates in β ladder)trans-103117.1-173.4-55.20000109.8S139 V140 Q147 L151S139-T149 CarbonylContact C-O 3.48Å; S139-T149 VanDerWaalsContact CA-O 3.24Å; S139-T149 WeakPolarHBondContact CA-O 3.43Å; V140-T149 PolarHBondContact N-O 2.93Å; V140-T149 PolarHBondContact O-N 2.85Å; Q147-T149 PolarHBondContact O-N 2.88Å; Q147-T149 VanDerWaalsContact O-N 3.14Å; Q147-T149 PolarHBondContact O-OG1 3.1Å; T149-L151 HydrophobicContact CG2-CD2 4.39Å
150S92.2Very high89Confident102 Ų10242.7 Ų42.771%0.71326%0.259SS*.EExtended strand (participates in β ladder)trans-70.5134.6175.856.80000111.2
151L91.7Very high88.3Confident21 Ų2142.4 Ų42.411%0.1126%0.257CS..  trans-113145.7179-55.5-177.2000110.7F34 T138 V140 T149 F157 F159F34-L151 HydrophobicContact CD2-CD1 4.48Å; F34-L151 HydrophobicContact CE2-CD1 4.2Å; T138-L151 PolarHBondContact O-N 2.92Å; T138-L151 PolarHBondContact OG1-O 3.29Å; V140-L151 HydrophobicContact CB-CD1 3.99Å; V140-L151 HydrophobicContact CG1-CD1 3.77Å; V140-L151 HydrophobicContact CG1-CD2 3.93Å; V140-L151 HydrophobicContact CG1-CG 3.98Å; T149-L151 HydrophobicContact CG2-CD2 4.39Å; L151-F157 HydrophobicContact CB-CE1 4.01Å; L151-F157 HydrophobicContact CD1-CD1 4.02Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; L151-F159 HydrophobicContact CD1-CE1 3.81Å; L151-F159 HydrophobicContact CD1-CZ 3.88Å
152P91.7Very high87.1Confident103 Ų10345.2 Ų45.267%0.66927%0.268SS*.  trans-58.1140.7172.4-21.232.4000111.4T138 A154 F157T138-P152 PolarHBondContact OG1-O 2.88Å; P152-A154 PolarHBondContact O-N 2.93Å; P152-F157 WeakPolarHBondContact O-CZ 3.31Å
153G91.1Very high85.6Confident52 Ų5249.2 Ų49.254%0.53629%0.289SS..  trans-63.4124.6175.900000111L135L135-G153 WeakPolarHBondContact O-CA 3.27Å
154A93.6Very high84.1Confident24 Ų2449.2 Ų49.220%0.19830%0.298CS..  trans-143.1156.8-178.100000110.3L135 P152 S156 F157L135-A154 PolarHBondContact N-O 2.89Å; P152-A154 PolarHBondContact O-N 2.93Å; A154-S156 PolarHBondContact O-N 3.45Å; A154-F157 HydrophobicContact CB-CE1 4.3Å; A154-F157 HydrophobicContact CB-CE2 4.08Å; A154-F157 HydrophobicContact CB-CZ 3.8Å; A154-F157 VanDerWaalsContact O-CE2 3.28Å; A154-F157 WeakPolarHBondContact O-CE2 3.38Å
155P94.3Very high82.9Confident30 Ų3050.3 Ų50.320%0.19531%0.308CS..SBendtrans-68.4-22.9174.1-19.132000113.1N60 K130 P134N60-P155 PolarHBondContact N-O 3.3Å; K130-P155 WeakPolarHBondContact O-CB 3.3Å; P134-P155 HydrophobicContact CG-CG 4.31Å
156S95.3Very high81.4Confident3 Ų355.6 Ų55.62%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-147.3149.2-174.853.10000113.1V58 S128 K130 A154V58-S156 CarbonylContact O-C 3.23Å; V58-S156 WeakPolarHBondContact O-CA 3.39Å; S128-S156 WeakPolarHBondContact CB-OG 3.33Å; S128-S156 WeakPolarHBondContact OG-CB 3.37Å; S128-S156 PolarHBondContact OG-OG 2.98Å; K130-S156 WeakPolarHBondContact CB-OG 3.32Å; K130-S156 PolarHBondContact N-OG 3.4Å; A154-S156 PolarHBondContact O-N 3.45Å
157F95.2Very high80.1Confident1 Ų159.5 Ų59.50%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-136.1133.6-179.3-64-94.5000109.4F34 F57 V58 L135 T138 L151 P152 A154 F159F34-F157 HydrophobicContact CE1-CD2 4.5Å; F34-F157 HydrophobicContact CE2-CD1 4.27Å; F34-F157 HydrophobicContact CE2-CD2 4.45Å; F34-F157 HydrophobicContact CE2-CE1 4.49Å; F34-F157 HydrophobicContact CE2-CG 4.26Å; F34-F157 HydrophobicContact CZ-CB 4.49Å; F34-F157 HydrophobicContact CZ-CD1 4.33Å; F34-F157 AromaticContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CE2 4.02Å; F34-F157 AromaticContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CZ 4.44Å; F57-F157 WeakPolarHBondContact CA-O 3.46Å; F57-F157 WeakPolarHBondContact CD2-O 3.41Å; V58-F157 PolarHBondContact N-O 3.2Å; V58-F157 PolarHBondContact O-N 3.08Å; L135-F157 HydrophobicContact CB-CE2 4.14Å; L135-F157 HydrophobicContact CD1-CD2 4.13Å; L135-F157 HydrophobicContact CD1-CE2 3.97Å; T138-F157 HydrophobicContact CG2-CE1 4.47Å; T138-F157 HydrophobicContact CG2-CE2 3.91Å; T138-F157 HydrophobicContact CG2-CZ 3.67Å; L151-F157 HydrophobicContact CB-CE1 4.01Å; L151-F157 HydrophobicContact CD1-CD1 4.02Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; P152-F157 WeakPolarHBondContact O-CZ 3.31Å; A154-F157 HydrophobicContact CB-CE1 4.3Å; A154-F157 HydrophobicContact CB-CE2 4.08Å; A154-F157 HydrophobicContact CB-CZ 3.8Å; A154-F157 VanDerWaalsContact O-CE2 3.28Å; A154-F157 WeakPolarHBondContact O-CE2 3.38Å; F157-F159 HydrophobicContact CB-CD2 4.4Å; F157-F159 HydrophobicContact CB-CE2 3.65Å; F157-F159 HydrophobicContact CB-CZ 3.81Å; F157-F159 HydrophobicContact CD1-CZ 4.2Å; F157-F159 HydrophobicContact CG-CE2 4.46Å; F157-F159 HydrophobicContact CG-CZ 4.27Å
158I93.7Very high78.4Confident27 Ų2759.9 Ų59.914%0.13835%0.352CS..EExtended strand (participates in β ladder)trans-117.2122.4172.8-64164.6000107.5H55 F57 Q125 E126H55-I158 HydrophobicContact CB-CG2 4.25Å; F57-I158 HydrophobicContact CD2-CD1 4.35Å; F57-I158 HydrophobicContact CD2-CG1 3.49Å; F57-I158 VanDerWaalsContact CD2-CG1 3.49Å; F57-I158 HydrophobicContact CE2-CG1 4.01Å; Q125-I158 CarbonylContact C-O 3.2Å; Q125-I158 WeakPolarHBondContact CA-O 3.31Å; E126-I158 HydrophobicContact CB-CB 3.96Å; E126-I158 HydrophobicContact CB-CG2 3.89Å; E126-I158 HydrophobicContact CG-CG2 4.45Å; E126-I158 PolarHBondContact N-O 3.4Å
159F92.1Very high76.2Confident0 Ų059.3 Ų59.30%036%0.357CS..EExtended strand (participates in β ladder)trans-112.8105.7177.6-63.7-65.1000108.3F32 F34 H55 I56 F122 Q125 V140 L151 F157 F161F32-F159 HydrophobicContact CE2-CB 4.14Å; F32-F159 HydrophobicContact CE2-CD1 4.18Å; F32-F159 HydrophobicContact CE2-CD2 4.26Å; F32-F159 AromaticContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CZ-CB 4.21Å; F32-F159 HydrophobicContact CZ-CD1 4.29Å; F32-F159 AromaticContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CE2 4Å; F32-F159 AromaticContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CZ 4.48Å; F34-F159 HydrophobicContact CB-CE2 4.25Å; F34-F159 HydrophobicContact CB-CZ 4.46Å; F34-F159 HydrophobicContact CD1-CE2 4.12Å; F34-F159 AromaticContact CD2-CE2 3.78Å; F34-F159 HydrophobicContact CD2-CE2 3.78Å; F34-F159 AromaticContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CD2-CZ 3.43Å; F34-F159 VanDerWaalsContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CE1-CE2 4.42Å; F34-F159 HydrophobicContact CE2-CE2 4.1Å; F34-F159 AromaticContact CE2-CZ 3.68Å; F34-F159 HydrophobicContact CE2-CZ 3.68Å; F34-F159 AromaticContact CG-CE2 3.78Å; F34-F159 HydrophobicContact CG-CE2 3.78Å; F34-F159 AromaticContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CZ-CE2 4.4Å; F34-F159 HydrophobicContact CZ-CZ 4.35Å; H55-F159 CarbonylContact C-O 3.55Å; H55-F159 VanDerWaalsContact CA-O 3.22Å; H55-F159 WeakPolarHBondContact CA-O 3.21Å; H55-F159 WeakPolarHBondContact CB-O 3.41Å; I56-F159 HydrophobicContact CB-CB 4.22Å; I56-F159 HydrophobicContact CG2-CD2 4.37Å; I56-F159 PolarHBondContact N-O 2.99Å; I56-F159 PolarHBondContact O-N 3.38Å; F122-F159 HydrophobicContact CD2-CB 4.23Å; F122-F159 HydrophobicContact CE2-CB 3.65Å; F122-F159 AromaticContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CG 4.02Å; F122-F159 AromaticContact CZ-CD1 3.84Å; F122-F159 HydrophobicContact CZ-CD1 3.84Å; Q125-F159 HydrophobicContact CB-CD1 4.29Å; Q125-F159 HydrophobicContact CB-CE1 4.33Å; Q125-F159 HydrophobicContact CG-CD1 4.31Å; Q125-F159 HydrophobicContact CG-CE1 4.09Å; V140-F159 HydrophobicContact CB-CE1 4.24Å; V140-F159 HydrophobicContact CG1-CE1 4.47Å; V140-F159 HydrophobicContact CG2-CD1 4.4Å; V140-F159 HydrophobicContact CG2-CE1 3.95Å; V140-F159 HydrophobicContact CG2-CZ 4.37Å; L151-F159 HydrophobicContact CD1-CE1 3.81Å; L151-F159 HydrophobicContact CD1-CZ 3.88Å; F157-F159 HydrophobicContact CB-CD2 4.4Å; F157-F159 HydrophobicContact CB-CE2 3.65Å; F157-F159 HydrophobicContact CB-CZ 3.81Å; F157-F159 HydrophobicContact CD1-CZ 4.2Å; F157-F159 HydrophobicContact CG-CE2 4.46Å; F157-F159 HydrophobicContact CG-CZ 4.27Å; F159-F161 HydrophobicContact CB-CE2 4.18Å; F159-F161 HydrophobicContact CB-CZ 4.49Å; F159-F161 VanDerWaalsContact O-CD2 3.31Å; F159-F161 WeakPolarHBondContact O-CD2 3.47Å; F159-F161 WeakPolarHBondContact O-CE2 3.42Å
160S86.5Confident74.4Confident8 Ų864.3 Ų64.36%0.05638%0.376CS..EExtended strand (participates in β ladder)trans-90.3135-175-63.50000111.1Q123 K124 E126Q123-S160 PolarHBondContact N-O 2.95Å; Q123-S160 VanDerWaalsContact N-O 3.13Å; K124-S160 PolarHBondContact O-N 3.42Å; E126-S160 WeakPolarHBondContact CG-OG 3.38Å; E126-S160 WeakPolarHBondContact OE1-CB 3.36Å; E126-S160 PolarHBondContact OE1-OG 3.35Å
161F78.1Confident72.6Confident2 Ų267.4 Ų67.41%0.00938%0.384CS..EExtended strand (participates in β ladder)trans-112.2139.2174.3-54.8-98.7000108.7F32 P54 I56 W94 L120 C121 F122 F159F32-F161 HydrophobicContact CD2-CE1 4.34Å; F32-F161 AromaticContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CE2-CZ 4.23Å; F32-F161 HydrophobicContact CG-CZ 4.36Å; P54-F161 WeakPolarHBondContact O-CB 3.27Å; P54-F161 WeakPolarHBondContact O-CD2 3.41Å; P54-F161 PolarHBondContact O-N 2.93Å; I56-F161 HydrophobicContact CB-CE2 3.91Å; I56-F161 HydrophobicContact CD1-CE2 3.7Å; I56-F161 HydrophobicContact CD1-CZ 3.63Å; I56-F161 HydrophobicContact CG1-CE2 3.54Å; I56-F161 HydrophobicContact CG1-CZ 4.03Å; W94-F161 HydrophobicContact CE3-CE1 4.16Å; W94-F161 HydrophobicContact CZ3-CD1 4.22Å; W94-F161 AromaticContact CZ3-CE1 3.82Å; W94-F161 HydrophobicContact CZ3-CE1 3.82Å; L120-F161 HydrophobicContact CB-CB 3.89Å; L120-F161 HydrophobicContact CB-CD1 4.01Å; L120-F161 HydrophobicContact CB-CG 4.11Å; L120-F161 HydrophobicContact CD1-CB 4.48Å; L120-F161 HydrophobicContact CD2-CB 4.31Å; L120-F161 HydrophobicContact CG-CB 4.46Å; C121-F161 VanDerWaalsContact O-CA 3.29Å; C121-F161 WeakPolarHBondContact O-CA 3.22Å; F122-F161 HydrophobicContact CB-CD1 4.06Å; F122-F161 HydrophobicContact CB-CE1 3.76Å; F122-F161 HydrophobicContact CD2-CD1 4.5Å; F122-F161 AromaticContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CZ 4.01Å; F122-F161 HydrophobicContact CG-CE1 4.37Å; F159-F161 HydrophobicContact CB-CE2 4.18Å; F159-F161 HydrophobicContact CB-CZ 4.49Å; F159-F161 VanDerWaalsContact O-CD2 3.31Å; F159-F161 WeakPolarHBondContact O-CD2 3.47Å; F159-F161 WeakPolarHBondContact O-CE2 3.42Å
162H64.4Low71.2Confident80 Ų8070.8 Ų70.837%0.3742%0.415SS..EExtended strand (participates in β ladder)trans-124.1160178.6-83.6-11.3000111.5C121 Q123C121-H162 PolarHBondContact O-N 2.64Å; Q123-H162 PolarHBondContact OE1-CD2 2.84Å; Q123-H162 PolarHBondContact OE1-NE2 3.36Å; Q123-H162 VanDerWaalsContact OE1-NE2 3.14Å
163N57.4Low70.1Confident88 Ų8868.8 Ų68.847%0.47140%0.404SS..SBendtrans-80.73.4163.4-70.2-11.5000112.6
164A49.4Very low69.4Low41 Ų4168 Ų6834%0.33939%0.388SS..SBendtrans-131.7141.5-165.400000114.5
165P52.1Low68.8Low57 Ų5768.7 Ų68.737%0.3739%0.389SS..  trans-64.4140.91792.9-10.8000114.2D178P165-D178 VanDerWaalsContact CA-OD1 3.3Å; P165-D178 WeakPolarHBondContact CA-OD1 3.29Å; P165-D178 VanDerWaalsContact CB-CG 3.5Å; P165-D178 WeakPolarHBondContact CB-OD1 3.21Å; P165-D178 WeakPolarHBondContact CD-OD1 3.3Å; P165-D178 HydrophobicContact CG-CB 4.38Å; P165-D178 WeakPolarHBondContact CG-OD1 3.29Å
166H49.2Very low68.4Low159 Ų15967.4 Ų67.474%0.73638%0.38SS*.  trans-129.853.2154.7-116.6-79.1000109.4Q123Q123-H166 HydrophobicContact CG-CB 4.33Å; Q123-H166 PolarHBondContact NE2-CD2 2.9Å
167K52.9Low67.7Low148 Ų14867.5 Ų67.564%0.64338%0.381SS*.  trans-144143167.3-77-163.9177.9174.90113.2Q144Q144-K167 PolarHBondContact O-NZ 2.03Å
168V49.9Very low67.2Low134 Ų13469.3 Ų69.381%0.81239%0.391SS*.  trans-76141.1176.1175.70000109.3H170V168-H170 PolarHBondContact O-N 3.38Å
169S39.4Very low66.9Low105 Ų10568 Ų6873%0.73438%0.384SS*.  trans-55.5103.9-175.665.40000112.5
170H53.1Low66.7Low165 Ų16570 Ų7076%0.76439%0.393SS*.  trans-102.4121.8154.9-102.5-74000107.5V168 A172V168-H170 PolarHBondContact O-N 3.38Å; H170-A172 PolarHBondContact O-N 2.92Å
171N54.6Low66.7Low167 Ų16774.3 Ų74.389%0.89341%0.41SS*.THydrogen-bonded Turntrans-594.7179.1-72-13.8000115
172A61.5Low67.2Low92 Ų9277.8 Ų77.876%0.7643%0.427SS*.THydrogen-bonded Turntrans-76-35.8-173.900000112.9H170H170-A172 PolarHBondContact O-N 2.92Å
173S67.9Low68.5Low62 Ų6274 Ų7443%0.43441%0.409SS..  trans-164.7135.5176.958.50000110.8
174V76.7Confident70.1Confident34 Ų3472.6 Ų72.621%0.20640%0.4CS..BIsolated β-bridgetrans-77.5133.1173.8174.40000109.6L179 K215 S218 S220V174-L179 HydrophobicContact CG1-CB 4.17Å; V174-K215 HydrophobicContact CG1-CB 4.24Å; V174-K215 HydrophobicContact CG1-CG 4.39Å; V174-K215 HydrophobicContact CG2-CB 4.26Å; V174-K215 HydrophobicContact CG2-CG 4.01Å; V174-S218 VanDerWaalsContact CG2-OG 3.3Å; V174-S218 WeakPolarHBondContact CG2-OG 3.38Å; V174-S220 PolarHBondContact O-N 2.93Å
175D81.2Confident72.1Confident39 Ų3975.5 Ų75.521%0.20941%0.406CS..  trans-74.1141.4175.5-175.482000111.2Q144 C177 D178 L179Q144-D175 VanDerWaalsContact CG-OD1 3.26Å; Q144-D175 WeakPolarHBondContact CG-OD1 3.1Å; Q144-D175 PolarHBondContact NE2-OD1 3.45Å; D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD2-CB 3.48Å; D175-C177 PolarHBondContact OD2-N 3.23Å; D175-D178 HydrophobicContact CB-CB 4.28Å; D175-D178 PolarHBondContact O-N 3.44Å; D175-D178 PolarHBondContact OD2-N 3.47Å; D175-L179 PolarHBondContact O-N 2.91Å
176M85.3Confident74Confident4 Ų474.5 Ų74.52%0.0240%0.398CS..Hα-helixtrans-64.1-38.6-177.1-67.6170.56100112.8L119 K180 V219 S220 F221 L226 F228L119-M176 HydrophobicContact CD1-CB 4.14Å; L119-M176 HydrophobicContact CD1-CE 3.31Å; M176-K180 WeakPolarHBondContact O-CB 3.29Å; M176-K180 PolarHBondContact O-N 2.75Å; M176-V219 HydrophobicContact CB-CG2 4.44Å; M176-V219 HydrophobicContact CG-CG2 3.69Å; M176-S220 WeakPolarHBondContact CG-O 3.48Å; M176-F221 HydrophobicContact CE-CB 4.16Å; M176-F221 HydrophobicContact CG-CB 4.4Å; M176-F221 HydrophobicContact SD-CB 3.6Å; M176-L226 HydrophobicContact CE-CD1 3.47Å; M176-L226 VanDerWaalsContact CE-CD1 3.47Å; M176-L226 HydrophobicContact CE-CD2 3.87Å; M176-L226 HydrophobicContact CE-CG 4.34Å; M176-L226 HydrophobicContact CG-CD2 4.14Å; M176-L226 HydrophobicContact SD-CD2 4.41Å; M176-F228 WeakPolarHBondContact O-CE1 3.38Å
177C82.2Confident76.1Confident5 Ų567.1 Ų67.13%0.03436%0.364CS..Hα-helixtrans-75-31.4-178.4-72.30000112.2C121 D175 K180 K181C121-C177 HydrophobicContact CB-CB 3.79Å; C121-C177 WeakPolarHBondContact CB-SG 3.23Å; C121-C177 WeakPolarHBondContact SG-CB 3.38Å; C121-C177 CovalentContact SG-SG 2.02Å; C121-C177 PolarHBondContact SG-SG 3.48Å; D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD2-CB 3.48Å; D175-C177 PolarHBondContact OD2-N 3.23Å; C177-K180 WeakPolarHBondContact O-CB 3.46Å; C177-K180 PolarHBondContact O-N 3.47Å; C177-K181 PolarHBondContact O-N 2.99Å
178D83Confident78Confident39 Ų3966.2 Ų66.221%0.20936%0.356CS..Hα-helixtrans-63.8-47.3174.6-64.4-3000110.5P165 D175 K181 E182P165-D178 VanDerWaalsContact CA-OD1 3.3Å; P165-D178 WeakPolarHBondContact CA-OD1 3.29Å; P165-D178 VanDerWaalsContact CB-CG 3.5Å; P165-D178 WeakPolarHBondContact CB-OD1 3.21Å; P165-D178 WeakPolarHBondContact CD-OD1 3.3Å; P165-D178 HydrophobicContact CG-CB 4.38Å; P165-D178 WeakPolarHBondContact CG-OD1 3.29Å; D175-D178 HydrophobicContact CB-CB 4.28Å; D175-D178 PolarHBondContact O-N 3.44Å; D175-D178 PolarHBondContact OD2-N 3.47Å; D178-K181 PolarHBondContact O-N 3.42Å; D178-E182 PolarHBondContact O-N 3.45Å
179L88.2Confident79.9Confident0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-64.5-39.8176.1-176.656.3000112.1V174 D175 K181 E182 L183 L212 K215 L216 V219 F228V174-L179 HydrophobicContact CG1-CB 4.17Å; D175-L179 PolarHBondContact O-N 2.91Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 3.28Å; L179-E182 PolarHBondContact O-N 2.9Å; L179-L183 HydrophobicContact CG-CD1 4.38Å; L179-L183 PolarHBondContact O-N 3.32Å; L179-L212 HydrophobicContact CD1-CD1 4Å; L179-K215 HydrophobicContact CD1-CB 3.86Å; L179-K215 HydrophobicContact CD1-CD 4.42Å; L179-K215 HydrophobicContact CD2-CB 4.5Å; L179-L216 HydrophobicContact CD2-CD2 3.81Å; L179-L216 HydrophobicContact CD2-CG 4.22Å; L179-V219 HydrophobicContact CD2-CB 4.14Å; L179-V219 HydrophobicContact CD2-CG1 4.47Å; L179-V219 HydrophobicContact CD2-CG2 4.23Å; L179-F228 HydrophobicContact CB-CE1 4.38Å; L179-F228 HydrophobicContact CB-CZ 4.29Å; L179-F228 HydrophobicContact CD2-CE1 4.44Å; L179-F228 HydrophobicContact CD2-CE2 3.73Å; L179-F228 HydrophobicContact CD2-CZ 3.68Å; L179-F228 HydrophobicContact CG-CE1 4.33Å; L179-F228 HydrophobicContact CG-CE2 4.32Å; L179-F228 HydrophobicContact CG-CZ 4.05Å
180K87.9Confident82.4Confident42 Ų4257.2 Ų57.218%0.18329%0.293CS..Hα-helixtrans-56.8-45.2173-176.768.8169164.60110.9L119 M176 C177 L183 Q184 F228 E229 E230L119-K180 HydrophobicContact CD2-CB 3.98Å; L119-K180 HydrophobicContact CD2-CD 3.99Å; L119-K180 HydrophobicContact CD2-CG 3.96Å; M176-K180 WeakPolarHBondContact O-CB 3.29Å; M176-K180 PolarHBondContact O-N 2.75Å; C177-K180 WeakPolarHBondContact O-CB 3.46Å; C177-K180 PolarHBondContact O-N 3.47Å; K180-L183 PolarHBondContact O-N 3.25Å; K180-Q184 WeakPolarHBondContact O-CG 3.46Å; K180-Q184 PolarHBondContact O-N 2.83Å; K180-F228 HydrophobicContact CB-CD1 4.14Å; K180-F228 HydrophobicContact CB-CE1 4.2Å; K180-F228 HydrophobicContact CD-CD1 3.95Å; K180-E229 PolarHBondContact NZ-O 2.75Å; K180-E230 WeakPolarHBondContact CD-OE1 3.29Å; K180-E230 WeakPolarHBondContact CE-OE1 3.46Å; K180-E230 IonicContact NZ-OE1 3.22Å; K180-E230 PolarHBondContact NZ-OE1 3.24Å
181K85.8Confident84.1Confident97 Ų9753 Ų5342%0.42227%0.273SS..Hα-helixtrans-66.6-37.5179.2-172.4178.4179.5-179.60112.9C177 D178 L179 Q184 Q185C177-K181 PolarHBondContact O-N 2.99Å; D178-K181 PolarHBondContact O-N 3.42Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 3.28Å; K181-Q184 WeakPolarHBondContact O-CB 3.22Å; K181-Q184 PolarHBondContact O-N 3.29Å; K181-Q185 PolarHBondContact O-N 3.48Å
182E89.7Confident85.7Confident76 Ų7649.2 Ų49.236%0.35525%0.25SC..Hα-helixtrans-64.7-42.9173.9-72.8-175.7-164.700111.8D178 L179 Q184 Q185 L186 K215D178-E182 PolarHBondContact O-N 3.45Å; L179-E182 PolarHBondContact O-N 2.9Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 2.95Å; E182-Q185 WeakPolarHBondContact O-CB 3.48Å; E182-Q185 PolarHBondContact O-N 2.68Å; E182-Q185 VanDerWaalsContact O-N 3.14Å; E182-L186 PolarHBondContact O-N 2.81Å; E182-K215 IonicContact OE1-NZ 2.81Å; E182-K215 PolarHBondContact OE1-NZ 3.25Å; E182-K215 VanDerWaalsContact OE2-CD 3.27Å; E182-K215 WeakPolarHBondContact OE2-CD 3.39Å; E182-K215 IonicContact OE2-NZ 2.89Å; E182-K215 PolarHBondContact OE2-NZ 3.45Å
183L91.6Very high86.8Confident1 Ų147 Ų471%0.00523%0.227CC..Hα-helixtrans-63.8-37173.5-77169.1000112.2L179 K180 Q185 L186 S187 L212 F228 E230 V233 A235L179-L183 HydrophobicContact CG-CD1 4.38Å; L179-L183 PolarHBondContact O-N 3.32Å; K180-L183 PolarHBondContact O-N 3.25Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.49Å; L183-L186 HydrophobicContact CD2-CD2 4.46Å; L183-L186 PolarHBondContact O-N 2.96Å; L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.2Å; L183-L212 HydrophobicContact CD2-CD1 3.77Å; L183-L212 HydrophobicContact CD2-CD2 4.25Å; L183-L212 HydrophobicContact CG-CD1 4.2Å; L183-F228 HydrophobicContact CD1-CB 3.3Å; L183-F228 HydrophobicContact CD1-CD1 4.05Å; L183-F228 HydrophobicContact CD1-CD2 4.09Å; L183-F228 HydrophobicContact CD1-CG 3.58Å; L183-E230 HydrophobicContact CB-CG 4.02Å; L183-V233 HydrophobicContact CD2-CG1 4.44Å; L183-V233 HydrophobicContact CD2-CG2 4.26Å; L183-A235 HydrophobicContact CD1-CB 4.13Å; L183-A235 HydrophobicContact CD2-CB 4.47Å
184Q90.9Very high87.6Confident58 Ų5852.8 Ų52.827%0.27125%0.248SC..Hα-helixtrans-63.5-36.6171.1-74.9175.6-1500112.9K180 K181 E182 R188 E230K180-Q184 WeakPolarHBondContact O-CG 3.46Å; K180-Q184 PolarHBondContact O-N 2.83Å; K181-Q184 WeakPolarHBondContact O-CB 3.22Å; K181-Q184 PolarHBondContact O-N 3.29Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 2.95Å; Q184-R188 WeakPolarHBondContact O-CG 3.42Å; Q184-R188 PolarHBondContact O-N 3.47Å; Q184-R188 PolarHBondContact O-NE 3.37Å; Q184-E230 HydrophobicContact CG-CG 4.28Å; Q184-E230 WeakPolarHBondContact CG-OE1 3.48Å; Q184-E230 VanDerWaalsContact CG-OE2 3.31Å; Q184-E230 WeakPolarHBondContact CG-OE2 3.46Å; Q184-E230 PolarHBondContact NE2-OE1 3.36Å
185Q90.9Very high87.9Confident102 Ų10258.7 Ų58.748%0.47727%0.271SS..Hα-helixtrans-69-38.5175-179.561.961.800111.3K181 E182 L183 R188 Y189K181-Q185 PolarHBondContact O-N 3.48Å; E182-Q185 WeakPolarHBondContact O-CB 3.48Å; E182-Q185 PolarHBondContact O-N 2.68Å; E182-Q185 VanDerWaalsContact O-N 3.14Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.49Å; Q185-R188 VanDerWaalsContact OE1-NH1 3.14Å; Q185-Y189 PolarHBondContact O-N 3.49Å
186L92.3Very high87.9Confident35 Ų3558.7 Ų58.718%0.18328%0.276CS..Hα-helixtrans-65.4-50.1174.3-173.459.1000111E182 L183 R188 Y189 L190 L212 F293 L298E182-L186 PolarHBondContact O-N 2.81Å; L183-L186 HydrophobicContact CD2-CD2 4.46Å; L183-L186 PolarHBondContact O-N 2.96Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.45Å; L186-Y189 WeakPolarHBondContact O-CA 3.4Å; L186-Y189 WeakPolarHBondContact O-CB 3.31Å; L186-Y189 PolarHBondContact O-N 2.94Å; L186-L190 HydrophobicContact CG-CD1 4.25Å; L186-L190 HydrophobicContact CG-CG 4.43Å; L186-L190 WeakPolarHBondContact O-CG 3.42Å; L186-L190 PolarHBondContact O-N 3.4Å; L186-L212 HydrophobicContact CD2-CD2 4.21Å; L186-F293 HydrophobicContact CD2-CE1 3.99Å; L186-L298 HydrophobicContact CD1-CD1 4.1Å; L186-L298 HydrophobicContact CD1-CD2 4.42Å
187S92.9Very high87.7Confident4 Ų463.7 Ų63.73%0.02832%0.318CS..Hα-helixtrans-50.8-47.7174.2171.10000112.2L183 Y189 L190 Q191 D231L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.2Å; S187-Y189 VanDerWaalsContact C-N 3.29Å; S187-Y189 PolarHBondContact O-N 3Å; S187-L190 PolarHBondContact O-N 3.27Å; S187-L190 VanDerWaalsContact O-N 3.1Å; S187-Q191 WeakPolarHBondContact O-CG 3.31Å; S187-Q191 PolarHBondContact O-N 3.45Å; S187-D231 VanDerWaalsContact CB-O 3.23Å; S187-D231 WeakPolarHBondContact CB-O 3.43Å; S187-D231 PolarHBondContact OG-O 2.8Å
188R92Very high87.7Confident129 Ų12972 Ų7249%0.48735%0.354SS..Hα-helixtrans-59.2-36.8175.3-80.8-175.4-73.6139.5-3.2113.6Q184 Q185 L186Q184-R188 WeakPolarHBondContact O-CG 3.42Å; Q184-R188 PolarHBondContact O-N 3.47Å; Q184-R188 PolarHBondContact O-NE 3.37Å; Q185-R188 VanDerWaalsContact OE1-NH1 3.14Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.45Å
189Y91.9Very high87.7Confident46 Ų4679.6 Ų79.618%0.1838%0.38CS..Hα-helixtrans-68.4-44.4173.7171.1-100.1000111.3Q185 L186 S187 Q191 H192 P193 A196 P200 A297 L298Q185-Y189 PolarHBondContact O-N 3.49Å; L186-Y189 WeakPolarHBondContact O-CA 3.4Å; L186-Y189 WeakPolarHBondContact O-CB 3.31Å; L186-Y189 PolarHBondContact O-N 2.94Å; S187-Y189 VanDerWaalsContact C-N 3.29Å; S187-Y189 PolarHBondContact O-N 3Å; Y189-Q191 PolarHBondContact O-N 3.16Å; Y189-H192 CarbonylContact O-C 3.57Å; Y189-H192 VanDerWaalsContact O-C 3.23Å; Y189-H192 PolarHBondContact O-N 3.32Å; Y189-P193 HydrophobicContact CE2-CB 4.26Å; Y189-P193 VanDerWaalsContact O-CA 3.3Å; Y189-P193 WeakPolarHBondContact O-CA 3.2Å; Y189-P193 WeakPolarHBondContact O-CD 3.24Å; Y189-A196 HydrophobicContact CD2-CB 3.97Å; Y189-A196 HydrophobicContact CE2-CB 3.79Å; Y189-P200 HydrophobicContact CE2-CG 4.37Å; Y189-P200 WeakPolarHBondContact OH-CD 3.32Å; Y189-P200 WeakPolarHBondContact OH-CG 3.06Å; Y189-A297 HydrophobicContact CE1-CB 4.23Å; Y189-L298 HydrophobicContact CD1-CD2 4.28Å; Y189-L298 HydrophobicContact CE1-CD2 3.83Å
190L90.4Very high87.5Confident5 Ų581.1 Ų81.13%0.02639%0.389CS..Hα-helixtrans-65-34.6-179.6-62.4177.8000113.2L186 S187 H192 P193 R232 V233 F293 A297 L298L186-L190 HydrophobicContact CG-CD1 4.25Å; L186-L190 HydrophobicContact CG-CG 4.43Å; L186-L190 WeakPolarHBondContact O-CG 3.42Å; L186-L190 PolarHBondContact O-N 3.4Å; S187-L190 PolarHBondContact O-N 3.27Å; S187-L190 VanDerWaalsContact O-N 3.1Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 3.3Å; L190-P193 WeakPolarHBondContact O-CD 3.19Å; L190-R232 HydrophobicContact CB-CB 3.97Å; L190-R232 HydrophobicContact CD1-CB 4.28Å; L190-V233 HydrophobicContact CD1-CB 3.97Å; L190-V233 HydrophobicContact CD1-CG1 4.26Å; L190-F293 HydrophobicContact CD1-CD1 3.86Å; L190-F293 HydrophobicContact CD1-CE1 4.24Å; L190-A297 HydrophobicContact CD2-CB 3.93Å; L190-L298 HydrophobicContact CD2-CD1 4.32Å; L190-L298 HydrophobicContact CD2-CG 4Å
191Q89.3Confident87.5Confident77 Ų7783.5 Ų83.536%0.3641%0.408SS..Hα-helixtrans-64.9-35174.6-71.9173.91.500112.8S187 Y189 D231 R232S187-Q191 WeakPolarHBondContact O-CG 3.31Å; S187-Q191 PolarHBondContact O-N 3.45Å; Y189-Q191 PolarHBondContact O-N 3.16Å; Q191-D231 WeakPolarHBondContact CG-OD2 3.45Å; Q191-D231 PolarHBondContact NE2-OD2 3.48Å; Q191-R232 HydrophobicContact CG-CG 4.26Å
192H88Confident87.6Confident86 Ų8680.2 Ų80.240%0.39840%0.398SS..  trans-142.561.7-172.1-59.199.1000112.4Y189 L190 Q194 K195Y189-H192 CarbonylContact O-C 3.57Å; Y189-H192 VanDerWaalsContact O-C 3.23Å; Y189-H192 PolarHBondContact O-N 3.32Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 3.3Å; H192-Q194 PolarHBondContact O-N 2.92Å; H192-Q194 VanDerWaalsContact O-N 3.11Å; H192-K195 HydrophobicContact CB-CB 4.1Å; H192-K195 HydrophobicContact CB-CD 3.83Å; H192-K195 HydrophobicContact CB-CG 4.02Å; H192-K195 PolarHBondContact CD2-NZ 2.97Å; H192-K195 VanDerWaalsContact CD2-NZ 3.29Å; H192-K195 PolarHBondContact NE2-NZ 3.44Å; H192-K195 PolarHBondContact O-N 2.81Å
193P85.7Confident87.4Confident45 Ų4579.1 Ų79.129%0.29240%0.403SS..G310 helixtrans-61.8-28-176.124-33.9000112Y189 L190 K195 A196 A297Y189-P193 HydrophobicContact CE2-CB 4.26Å; Y189-P193 VanDerWaalsContact O-CA 3.3Å; Y189-P193 WeakPolarHBondContact O-CA 3.2Å; Y189-P193 WeakPolarHBondContact O-CD 3.24Å; L190-P193 WeakPolarHBondContact O-CD 3.19Å; P193-K195 VanDerWaalsContact C-N 3.32Å; P193-K195 PolarHBondContact O-N 2.88Å; P193-A196 WeakPolarHBondContact O-CB 3.43Å; P193-A196 PolarHBondContact O-N 3.38Å; P193-A297 HydrophobicContact CB-CB 4.16Å; P193-A297 HydrophobicContact CG-CB 4.31Å
194Q83.4Confident87.3Confident184 Ų18484 Ų8486%0.8642%0.424SS*.G310 helixtrans-69-23.2177.3-55.4-67.8-8.900113.8H192 A196H192-Q194 PolarHBondContact O-N 2.92Å; H192-Q194 VanDerWaalsContact O-N 3.11Å; Q194-A196 VanDerWaalsContact C-N 3.33Å
195K84.3Confident87.2Confident159 Ų15982.3 Ų82.369%0.69142%0.417SS*.G310 helixtrans-84.8-7.9178.8-68-177.5-176.71640112.7H192 P193H192-K195 HydrophobicContact CB-CB 4.1Å; H192-K195 HydrophobicContact CB-CD 3.83Å; H192-K195 HydrophobicContact CB-CG 4.02Å; H192-K195 PolarHBondContact CD2-NZ 2.97Å; H192-K195 VanDerWaalsContact CD2-NZ 3.29Å; H192-K195 PolarHBondContact NE2-NZ 3.44Å; H192-K195 PolarHBondContact O-N 2.81Å; P193-K195 VanDerWaalsContact C-N 3.32Å; P193-K195 PolarHBondContact O-N 2.88Å
196A80.4Confident87.1Confident39 Ų3978.5 Ų78.532%0.32240%0.401SS..SBendtrans-68.6137.717900000110.7Y189 P193 Q194 K198Y189-A196 HydrophobicContact CD2-CB 3.97Å; Y189-A196 HydrophobicContact CE2-CB 3.79Å; P193-A196 WeakPolarHBondContact O-CB 3.43Å; P193-A196 PolarHBondContact O-N 3.38Å; Q194-A196 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.99Å; A196-K198 VanDerWaalsContact O-N 3.11Å
197A81.9Confident87Confident109 Ų10982.9 Ų82.990%0.90142%0.42SS*.SBendtrans-60.6-25-177.600000113.8
198K80.9Confident86.9Confident180 Ų18086.7 Ų86.778%0.78344%0.438SS*.SBendtrans-142.5143.3177.1-64-176.4-178.5179.80109.4A196A196-K198 PolarHBondContact O-N 2.99Å; A196-K198 VanDerWaalsContact O-N 3.11Å
199R82.5Confident86.8Confident198 Ų19881 Ų8175%0.74742%0.417SS*.PPolyproline II helixtrans-69.9122.2165.5-169.5173.6-175.71770.6108.1
200P85.1Confident86.7Confident32 Ų3284.8 Ų84.821%0.20844%0.437CS..PPolyproline II helixtrans-65144.2-17925.7-32.2000110.7Y189 F204 I205Y189-P200 HydrophobicContact CE2-CG 4.37Å; Y189-P200 WeakPolarHBondContact OH-CD 3.32Å; Y189-P200 WeakPolarHBondContact OH-CG 3.06Å; P200-F204 HydrophobicContact CB-CD1 3.76Å; P200-F204 HydrophobicContact CB-CE1 4.41Å; P200-I205 HydrophobicContact CB-CD1 4.37Å; P200-I205 HydrophobicContact CB-CG1 3.98Å; P200-I205 HydrophobicContact CG-CD1 4.07Å; P200-I205 HydrophobicContact CG-CG1 4.06Å
201T87.9Confident86.7Confident92 Ų9286.3 Ų86.356%0.56445%0.448SS*.PPolyproline II helixtrans-75.2155.6174.657.40000110.3A203 F204 I205T201-A203 VanDerWaalsContact C-N 3.27Å; T201-A203 PolarHBondContact O-N 3.31Å; T201-F204 WeakPolarHBondContact O-CB 3.48Å; T201-F204 PolarHBondContact O-N 2.92Å; T201-F204 WeakPolarHBondContact OG1-CB 3.33Å; T201-F204 PolarHBondContact OG1-N 3.34Å; T201-I205 WeakPolarHBondContact O-CG1 3.37Å; T201-I205 PolarHBondContact O-N 3.28Å
202A86.7Confident86.9Confident27 Ų2783.3 Ų83.322%0.22343%0.434CS..Hα-helixtrans-55.7-42.517800000112.2F204 I205 S206 S357 T358A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 2.83Å; A202-I205 PolarHBondContact O-N 2.86Å; A202-S206 WeakPolarHBondContact O-CB 3.37Å; A202-S206 PolarHBondContact O-N 3.42Å; A202-S357 WeakPolarHBondContact CB-O 3.07Å; A202-T358 HydrophobicContact CB-CG2 4.47Å
203A86.7Confident87Confident54 Ų5481.8 Ų81.845%0.44643%0.427SS..Hα-helixtrans-59.7-4017500000113.3T201 Q207T201-A203 VanDerWaalsContact C-N 3.27Å; T201-A203 PolarHBondContact O-N 3.31Å; A203-Q207 WeakPolarHBondContact O-CB 3.38Å; A203-Q207 PolarHBondContact O-N 3.29Å
204F89Confident87.2Confident103 Ų10383 Ų8345%0.45244%0.437SS..Hα-helixtrans-66.2-43.1176.5179.8-93.1000111.3P200 T201 A202 Q207 Q208P200-F204 HydrophobicContact CB-CD1 3.76Å; P200-F204 HydrophobicContact CB-CE1 4.41Å; T201-F204 WeakPolarHBondContact O-CB 3.48Å; T201-F204 PolarHBondContact O-N 2.92Å; T201-F204 WeakPolarHBondContact OG1-CB 3.33Å; T201-F204 PolarHBondContact OG1-N 3.34Å; A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 2.83Å; F204-Q207 PolarHBondContact O-N 3.09Å; F204-Q208 HydrophobicContact CD1-CG 4.07Å; F204-Q208 HydrophobicContact CE1-CG 3.66Å; F204-Q208 HydrophobicContact CE2-CG 4.43Å; F204-Q208 HydrophobicContact CZ-CG 3.87Å; F204-Q208 VanDerWaalsContact O-CG 3.32Å; F204-Q208 WeakPolarHBondContact O-CG 3.47Å; F204-Q208 PolarHBondContact O-N 3.5Å
205I90Very high87.6Confident23 Ų2376.5 Ų76.512%0.11841%0.405CS..Hα-helixtrans-62.2-49178.1-63.6169.1000110.5P200 T201 A202 Q207 Q208 L209 L298P200-I205 HydrophobicContact CB-CD1 4.37Å; P200-I205 HydrophobicContact CB-CG1 3.98Å; P200-I205 HydrophobicContact CG-CD1 4.07Å; P200-I205 HydrophobicContact CG-CG1 4.06Å; T201-I205 WeakPolarHBondContact O-CG1 3.37Å; T201-I205 PolarHBondContact O-N 3.28Å; A202-I205 PolarHBondContact O-N 2.86Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 PolarHBondContact O-N 3.47Å; I205-Q208 PolarHBondContact O-N 3.49Å; I205-Q208 VanDerWaalsContact O-N 3.07Å; I205-L209 HydrophobicContact CG2-CD1 4.13Å; I205-L209 HydrophobicContact CG2-CG 4.4Å; I205-L209 PolarHBondContact O-N 2.89Å; I205-L298 HydrophobicContact CG1-CD2 4.41Å; I205-L298 HydrophobicContact CG2-CB 3.86Å; I205-L298 HydrophobicContact CG2-CD2 4.14Å; I205-L298 HydrophobicContact CG2-CG 4.5Å
206S89Confident87.9Confident22 Ų2269 Ų6915%0.15437%0.373CS..Hα-helixtrans-54.9-47177.3-171.30000111.7A202 Q208 L209 Q210 E351A202-S206 WeakPolarHBondContact O-CB 3.37Å; A202-S206 PolarHBondContact O-N 3.42Å; S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 2.93Å; S206-L209 PolarHBondContact O-N 3.37Å; S206-Q210 WeakPolarHBondContact O-CG 3.3Å; S206-Q210 PolarHBondContact O-N 2.96Å; S206-E351 WeakPolarHBondContact CB-OE2 3.3Å; S206-E351 PolarHBondContact OG-OE2 2.94Å
207Q89.6Confident88.3Confident126 Ų12667.7 Ų67.759%0.58936%0.361SS*.Hα-helixtrans-62.6-38.7177-172.5-178.9-2.800112.5A203 F204 I205 S211A203-Q207 WeakPolarHBondContact O-CB 3.38Å; A203-Q207 PolarHBondContact O-N 3.29Å; F204-Q207 PolarHBondContact O-N 3.09Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 PolarHBondContact O-N 3.47Å; Q207-S211 WeakPolarHBondContact O-CB 3.37Å; Q207-S211 PolarHBondContact O-N 3.05Å
208Q90.3Very high88.5Confident85 Ų8564.7 Ų64.740%0.39733%0.333SS..Hα-helixtrans-67.9-41.5176.8-70.1-59.6-35.800112.2F204 I205 S206 S211 L212F204-Q208 HydrophobicContact CD1-CG 4.07Å; F204-Q208 HydrophobicContact CE1-CG 3.66Å; F204-Q208 HydrophobicContact CE2-CG 4.43Å; F204-Q208 HydrophobicContact CZ-CG 3.87Å; F204-Q208 VanDerWaalsContact O-CG 3.32Å; F204-Q208 WeakPolarHBondContact O-CG 3.47Å; F204-Q208 PolarHBondContact O-N 3.5Å; I205-Q208 PolarHBondContact O-N 3.49Å; I205-Q208 VanDerWaalsContact O-N 3.07Å; S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 2.93Å; Q208-S211 PolarHBondContact O-N 3.16Å; Q208-L212 WeakPolarHBondContact O-CB 3.25Å; Q208-L212 PolarHBondContact O-N 3.16Å
209L90.7Very high88.9Confident8 Ų856.1 Ų56.14%0.04230%0.296CS..Hα-helixtrans-63.9-44.5176.7-71176.3000111.6I205 S206 L212 E213 F293 L298 F299I205-L209 HydrophobicContact CG2-CD1 4.13Å; I205-L209 HydrophobicContact CG2-CG 4.4Å; I205-L209 PolarHBondContact O-N 2.89Å; S206-L209 PolarHBondContact O-N 3.37Å; L209-L212 PolarHBondContact O-N 3.29Å; L209-E213 PolarHBondContact O-N 3.19Å; L209-F293 HydrophobicContact CD2-CE2 4.4Å; L209-F293 HydrophobicContact CD2-CZ 4.02Å; L209-L298 HydrophobicContact CD2-CD1 4.09Å; L209-F299 HydrophobicContact CD1-CE1 3.84Å; L209-F299 HydrophobicContact CD1-CZ 3.98Å; L209-F299 HydrophobicContact CD2-CZ 4.32Å
210Q89.7Confident89Confident127 Ų12748.2 Ų48.259%0.59327%0.271SS*.Hα-helixtrans-63.4-42.2175.3-70.7176.86.400112.2S206 L212 E213 S214S206-Q210 WeakPolarHBondContact O-CG 3.3Å; S206-Q210 PolarHBondContact O-N 2.96Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; Q210-E213 PolarHBondContact O-N 3.13Å; Q210-S214 WeakPolarHBondContact O-CB 3.18Å; Q210-S214 PolarHBondContact O-N 2.8Å
211S90.6Very high89Confident37 Ų3746.8 Ų46.826%0.25926%0.262SS..Hα-helixtrans-60.3-44.8174.6176.20000111.2Q207 Q208 S214 K215Q207-S211 WeakPolarHBondContact O-CB 3.37Å; Q207-S211 PolarHBondContact O-N 3.05Å; Q208-S211 PolarHBondContact O-N 3.16Å; S211-S214 PolarHBondContact O-N 2.97Å; S211-K215 WeakPolarHBondContact O-CB 3.42Å; S211-K215 VanDerWaalsContact O-CG 3.28Å; S211-K215 WeakPolarHBondContact O-CG 3.32Å; S211-K215 PolarHBondContact O-N 2.98Å; S211-K215 WeakPolarHBondContact OG-CE 3.33Å
212L91.9Very high88.7Confident14 Ų1443.5 Ų43.57%0.07324%0.24CC..Hα-helixtrans-61.6-47.9178.1178.462.1000111.5L179 L183 L186 Q208 L209 Q210 S214 K215 L216 F293L179-L212 HydrophobicContact CD1-CD1 4Å; L183-L212 HydrophobicContact CD2-CD1 3.77Å; L183-L212 HydrophobicContact CD2-CD2 4.25Å; L183-L212 HydrophobicContact CG-CD1 4.2Å; L186-L212 HydrophobicContact CD2-CD2 4.21Å; Q208-L212 WeakPolarHBondContact O-CB 3.25Å; Q208-L212 PolarHBondContact O-N 3.16Å; L209-L212 PolarHBondContact O-N 3.29Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; L212-S214 PolarHBondContact O-N 3.35Å; L212-K215 PolarHBondContact O-N 3.41Å; L212-L216 HydrophobicContact CD1-CD1 3.96Å; L212-L216 HydrophobicContact CD1-CG 4.23Å; L212-L216 HydrophobicContact CG-CD1 3.86Å; L212-L216 WeakPolarHBondContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.42Å; L212-L216 PolarHBondContact O-N 2.7Å; L212-F293 HydrophobicContact CD2-CZ 4.48Å
213E91.2Very high88.5Confident53 Ų5343.2 Ų43.225%0.24824%0.24CC..Hα-helixtrans-59.1-46.3176.2-171.3-169.2137.900111.5L209 Q210 K215 L216 T217 L289 V316L209-E213 PolarHBondContact O-N 3.19Å; Q210-E213 PolarHBondContact O-N 3.13Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.06Å; E213-L216 PolarHBondContact O-N 3.36Å; E213-T217 VanDerWaalsContact O-CG2 3.32Å; E213-T217 WeakPolarHBondContact O-CG2 3.21Å; E213-T217 PolarHBondContact O-N 3.35Å; E213-T217 PolarHBondContact O-OG1 3.49Å; E213-L289 HydrophobicContact CG-CD2 4.03Å; E213-V316 HydrophobicContact CG-CG1 4.23Å; E213-V316 VanDerWaalsContact OE1-CG1 3.32Å; E213-V316 WeakPolarHBondContact OE1-CG1 3.34Å
214S89.8Confident88.5Confident71 Ų7146.4 Ų46.450%0.49725%0.25SS..Hα-helixtrans-61.2-38176.6-1760000112.5Q210 S211 L212 T217 S218Q210-S214 WeakPolarHBondContact O-CB 3.18Å; Q210-S214 PolarHBondContact O-N 2.8Å; S211-S214 PolarHBondContact O-N 2.97Å; L212-S214 PolarHBondContact O-N 3.35Å; S214-T217 PolarHBondContact O-OG1 3.28Å; S214-S218 WeakPolarHBondContact O-CB 3.35Å; S214-S218 PolarHBondContact O-N 3.39Å; S214-S218 PolarHBondContact O-OG 2.94Å
215K91.1Very high88.5Confident47 Ų4744.5 Ų44.520%0.20425%0.247CC..Hα-helixtrans-72.3-41.2177.8-71.9178.1-173.9-179.40112V174 L179 E182 S211 L212 E213 T217 S218 V219V174-K215 HydrophobicContact CG1-CB 4.24Å; V174-K215 HydrophobicContact CG1-CG 4.39Å; V174-K215 HydrophobicContact CG2-CB 4.26Å; V174-K215 HydrophobicContact CG2-CG 4.01Å; L179-K215 HydrophobicContact CD1-CB 3.86Å; L179-K215 HydrophobicContact CD1-CD 4.42Å; L179-K215 HydrophobicContact CD2-CB 4.5Å; E182-K215 IonicContact OE1-NZ 2.81Å; E182-K215 PolarHBondContact OE1-NZ 3.25Å; E182-K215 VanDerWaalsContact OE2-CD 3.27Å; E182-K215 WeakPolarHBondContact OE2-CD 3.39Å; E182-K215 IonicContact OE2-NZ 2.89Å; E182-K215 PolarHBondContact OE2-NZ 3.45Å; S211-K215 WeakPolarHBondContact O-CB 3.42Å; S211-K215 VanDerWaalsContact O-CG 3.28Å; S211-K215 WeakPolarHBondContact O-CG 3.32Å; S211-K215 PolarHBondContact O-N 2.98Å; S211-K215 WeakPolarHBondContact OG-CE 3.33Å; L212-K215 PolarHBondContact O-N 3.41Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.06Å; K215-T217 PolarHBondContact O-N 2.87Å; K215-S218 PolarHBondContact O-N 3.27Å; K215-S218 PolarHBondContact O-OG 3.01Å; K215-V219 PolarHBondContact O-N 3Å
216L91.6Very high88.5Confident2 Ų243.5 Ų43.51%0.0124%0.242CC..Hα-helixtrans-65.5-36.5176.3-74.9165.5000112.4L179 L212 E213 S218 V219 F228 A235 V237 R287 L289 V291L179-L216 HydrophobicContact CD2-CD2 3.81Å; L179-L216 HydrophobicContact CD2-CG 4.22Å; L212-L216 HydrophobicContact CD1-CD1 3.96Å; L212-L216 HydrophobicContact CD1-CG 4.23Å; L212-L216 HydrophobicContact CG-CD1 3.86Å; L212-L216 WeakPolarHBondContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.42Å; L212-L216 PolarHBondContact O-N 2.7Å; E213-L216 PolarHBondContact O-N 3.36Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.43Å; L216-V219 WeakPolarHBondContact O-CG1 3.29Å; L216-F228 HydrophobicContact CD2-CD2 3.96Å; L216-F228 HydrophobicContact CD2-CE2 3.97Å; L216-A235 HydrophobicContact CD1-CB 3.96Å; L216-A235 HydrophobicContact CD2-CB 3.91Å; L216-V237 HydrophobicContact CB-CG2 3.98Å; L216-V237 HydrophobicContact CD2-CG2 3.56Å; L216-V237 HydrophobicContact CG-CG2 4.36Å; L216-R287 PolarHBondContact O-NH1 3.01Å; L216-L289 HydrophobicContact CB-CD2 3.38Å; L216-L289 HydrophobicContact CB-CG 4.15Å; L216-L289 HydrophobicContact CD1-CD2 4.12Å; L216-L289 HydrophobicContact CG-CD2 4.4Å; L216-V291 HydrophobicContact CD1-CG2 3.94Å
217T87.7Confident88.6Confident11 Ų1145 Ų457%0.06725%0.252CS..Hα-helixtrans-70.9-26175.156.80000113.1E213 S214 K215 R287 L289 Q318E213-T217 VanDerWaalsContact O-CG2 3.32Å; E213-T217 WeakPolarHBondContact O-CG2 3.21Å; E213-T217 PolarHBondContact O-N 3.35Å; E213-T217 PolarHBondContact O-OG1 3.49Å; S214-T217 PolarHBondContact O-OG1 3.28Å; K215-T217 PolarHBondContact O-N 2.87Å; T217-R287 VanDerWaalsContact O-CD 3.29Å; T217-R287 WeakPolarHBondContact O-CD 3.46Å; T217-R287 VanDerWaalsContact O-CZ 3.28Å; T217-R287 PolarHBondContact O-NE 3.47Å; T217-R287 PolarHBondContact O-NH1 3.45Å; T217-R287 VanDerWaalsContact O-NH1 3.14Å; T217-L289 HydrophobicContact CG2-CD1 3.58Å; T217-L289 HydrophobicContact CG2-CD2 3.82Å; T217-L289 HydrophobicContact CG2-CG 4.39Å; T217-Q318 HydrophobicContact CG2-CB 3.96Å; T217-Q318 HydrophobicContact CG2-CG 3.77Å
218S87.5Confident88.7Confident47 Ų4739 Ų3933%0.32922%0.224SC..Hα-helixtrans-103.2-8.4-174.562.30000115V174 S214 K215 L216 S220V174-S218 VanDerWaalsContact CG2-OG 3.3Å; V174-S218 WeakPolarHBondContact CG2-OG 3.38Å; S214-S218 WeakPolarHBondContact O-CB 3.35Å; S214-S218 PolarHBondContact O-N 3.39Å; S214-S218 PolarHBondContact O-OG 2.94Å; K215-S218 PolarHBondContact O-N 3.27Å; K215-S218 PolarHBondContact O-OG 3.01Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.43Å; S218-S220 PolarHBondContact O-N 3.47Å
219V88.3Confident88.6Confident0 Ų041.3 Ų41.30%024%0.235CC..BIsolated β-bridgetrans-61.1130.1-178.867.40000112.2M176 L179 K215 L216 F221 L226 F228 R287M176-V219 HydrophobicContact CB-CG2 4.44Å; M176-V219 HydrophobicContact CG-CG2 3.69Å; L179-V219 HydrophobicContact CD2-CB 4.14Å; L179-V219 HydrophobicContact CD2-CG1 4.47Å; L179-V219 HydrophobicContact CD2-CG2 4.23Å; K215-V219 PolarHBondContact O-N 3Å; L216-V219 WeakPolarHBondContact O-CG1 3.29Å; V219-F221 HydrophobicContact CG1-CD1 4.01Å; V219-F221 HydrophobicContact CG1-CE1 4.27Å; V219-L226 HydrophobicContact CG1-CD2 4.18Å; V219-L226 HydrophobicContact CG2-CD2 4.25Å; V219-F228 HydrophobicContact CG2-CZ 4.41Å; V219-R287 PolarHBondContact O-NH1 3.29Å; V219-R287 PolarHBondContact O-NH2 3.35Å
220S84Confident88.6Confident31 Ų3142.7 Ų42.722%0.21724%0.241CC..  trans-91.8125177.460.90000110.2W143 V174 M176 S218W143-S220 PolarHBondContact NE1-O 3.47Å; W143-S220 VanDerWaalsContact NE1-O 3.13Å; V174-S220 PolarHBondContact O-N 2.93Å; M176-S220 WeakPolarHBondContact CG-O 3.48Å; S218-S220 PolarHBondContact O-N 3.47Å
221F86.5Confident88.4Confident3 Ų340.9 Ų40.91%0.01324%0.235CC..  trans-146.7155.6179.164.5-88.1000112.2M176 V219 G223 L226 V237 K239M176-F221 HydrophobicContact CE-CB 4.16Å; M176-F221 HydrophobicContact CG-CB 4.4Å; M176-F221 HydrophobicContact SD-CB 3.6Å; V219-F221 HydrophobicContact CG1-CD1 4.01Å; V219-F221 HydrophobicContact CG1-CE1 4.27Å; F221-G223 WeakPolarHBondContact CE2-O 3.39Å; F221-L226 HydrophobicContact CB-CD2 3.82Å; F221-L226 HydrophobicContact CD1-CB 4.01Å; F221-L226 HydrophobicContact CD1-CD2 3.78Å; F221-L226 HydrophobicContact CD2-CB 3.74Å; F221-L226 HydrophobicContact CE1-CB 4.02Å; F221-L226 HydrophobicContact CE1-CD2 4.42Å; F221-L226 HydrophobicContact CE2-CB 3.77Å; F221-L226 HydrophobicContact CG-CB 3.85Å; F221-L226 HydrophobicContact CG-CD2 3.82Å; F221-L226 HydrophobicContact CG-CG 4.4Å; F221-L226 HydrophobicContact CZ-CB 3.89Å; F221-V237 HydrophobicContact CE1-CB 4.34Å; F221-V237 HydrophobicContact CE1-CG1 4.03Å; F221-V237 HydrophobicContact CZ-CB 4.47Å; F221-V237 HydrophobicContact CZ-CG1 4.29Å; F221-K239 HydrophobicContact CE1-CG 4.44Å; F221-K239 HydrophobicContact CE2-CD 4.28Å; F221-K239 HydrophobicContact CE2-CG 4.31Å; F221-K239 HydrophobicContact CZ-CD 4.17Å; F221-K239 HydrophobicContact CZ-CG 3.8Å; F221-K239 PolarHBondContact O-NZ 3.29Å
222L81.2Confident88.3Confident22 Ų2244.2 Ų44.212%0.11524%0.242CC..SBendtrans-88.3137.7172.1-16269.1000110.2R29 S95 R96 H97 W143R29-L222 VanDerWaalsContact O-CD2 3.32Å; R29-L222 WeakPolarHBondContact O-CD2 3.48Å; S95-L222 WeakPolarHBondContact OG-CD2 3.22Å; R96-L222 PolarHBondContact NH2-O 2.87Å; H97-L222 VanDerWaalsContact CE1-CD2 3.43Å; H97-L222 WeakPolarHBondContact CE1-CD2 3.35Å; H97-L222 WeakPolarHBondContact ND1-CD2 3.35Å; W143-L222 HydrophobicContact CH2-CD1 4.43Å; W143-L222 HydrophobicContact CZ3-CB 4.47Å; W143-L222 HydrophobicContact CZ3-CD1 4.05Å
223G83.2Confident88.3Confident22 Ų2243.7 Ų43.723%0.22724%0.24CC..SBendtrans99.8178.6-17300000114.3F221 K239F221-G223 WeakPolarHBondContact CE2-O 3.39Å; G223-K239 WeakPolarHBondContact O-CE 3.39Å; G223-K239 PolarHBondContact O-NZ 3.32Å
224D86.6Confident88.4Confident121 Ų12143.1 Ų43.165%0.64724%0.238SC*.SBendtrans-92.1-27.6-177-62.2-36.8000113.1W238 K239D224-W238 CarbonylContact O-C 3.52Å; D224-W238 WeakPolarHBondContact O-CA 3.37Å; D224-K239 PolarHBondContact O-N 3.35Å
225T88.9Confident88.6Confident62 Ų6239.7 Ų39.738%0.3822%0.215SC..EExtended strand (participates in β ladder)trans-129.2142.4180-54.50000111.4T236 V237 W238T225-T236 HydrophobicContact CG2-CG2 3.48Å; T225-T236 VanDerWaalsContact CG2-CG2 3.48Å; T225-V237 CarbonylContact C-O 3.51Å; T225-V237 VanDerWaalsContact CA-O 3.31Å; T225-V237 WeakPolarHBondContact CA-O 3.11Å; T225-W238 HydrophobicContact CG2-CD2 4.26Å; T225-W238 HydrophobicContact CG2-CG 4.23Å; T225-W238 PolarHBondContact OG1-NE1 2.91Å
226L90.3Very high88.7Confident3 Ų338.1 Ų38.12%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-133.1121.3171.6178.163000110M176 V219 F221 F228 T236 V237M176-L226 HydrophobicContact CE-CD1 3.47Å; M176-L226 VanDerWaalsContact CE-CD1 3.47Å; M176-L226 HydrophobicContact CE-CD2 3.87Å; M176-L226 HydrophobicContact CE-CG 4.34Å; M176-L226 HydrophobicContact CG-CD2 4.14Å; M176-L226 HydrophobicContact SD-CD2 4.41Å; V219-L226 HydrophobicContact CG1-CD2 4.18Å; V219-L226 HydrophobicContact CG2-CD2 4.25Å; F221-L226 HydrophobicContact CB-CD2 3.82Å; F221-L226 HydrophobicContact CD1-CB 4.01Å; F221-L226 HydrophobicContact CD1-CD2 3.78Å; F221-L226 HydrophobicContact CD2-CB 3.74Å; F221-L226 HydrophobicContact CE1-CB 4.02Å; F221-L226 HydrophobicContact CE1-CD2 4.42Å; F221-L226 HydrophobicContact CE2-CB 3.77Å; F221-L226 HydrophobicContact CG-CB 3.85Å; F221-L226 HydrophobicContact CG-CD2 3.82Å; F221-L226 HydrophobicContact CG-CG 4.4Å; F221-L226 HydrophobicContact CZ-CB 3.89Å; L226-F228 HydrophobicContact CD2-CE1 4.47Å; L226-F228 HydrophobicContact CD2-CE2 3.5Å; L226-F228 VanDerWaalsContact CD2-CE2 3.5Å; L226-F228 HydrophobicContact CD2-CZ 3.46Å; L226-F228 VanDerWaalsContact CD2-CZ 3.46Å; L226-F228 HydrophobicContact CG-CD2 4.35Å; L226-F228 HydrophobicContact CG-CE2 3.76Å; L226-F228 HydrophobicContact CG-CZ 4.01Å; L226-T236 CarbonylContact O-C 3.5Å; L226-T236 WeakPolarHBondContact O-CA 3.33Å; L226-V237 PolarHBondContact N-O 2.91Å; L226-V237 PolarHBondContact O-N 2.98Å
227S90.5Very high88.8Confident53 Ų5338 Ų3837%0.37121%0.208SC..EExtended strand (participates in β ladder)trans-110.6137.6175.5-59.70000111A235 T236S227-A235 CarbonylContact C-O 3.48Å; S227-A235 WeakPolarHBondContact CA-O 3.26Å; S227-T236 WeakPolarHBondContact CB-OG1 3.33Å; S227-T236 WeakPolarHBondContact OG-CG2 3.29Å; S227-T236 PolarHBondContact OG-OG1 2.87Å
228F90.8Very high89Confident1 Ų140 Ų400%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-11388.2172.5-64.6-87.4000108.6L119 M176 L179 K180 L183 L216 V219 L226 E230 N234 A235L119-F228 HydrophobicContact CD2-CE1 4.3Å; M176-F228 WeakPolarHBondContact O-CE1 3.38Å; L179-F228 HydrophobicContact CB-CE1 4.38Å; L179-F228 HydrophobicContact CB-CZ 4.29Å; L179-F228 HydrophobicContact CD2-CE1 4.44Å; L179-F228 HydrophobicContact CD2-CE2 3.73Å; L179-F228 HydrophobicContact CD2-CZ 3.68Å; L179-F228 HydrophobicContact CG-CE1 4.33Å; L179-F228 HydrophobicContact CG-CE2 4.32Å; L179-F228 HydrophobicContact CG-CZ 4.05Å; K180-F228 HydrophobicContact CB-CD1 4.14Å; K180-F228 HydrophobicContact CB-CE1 4.2Å; K180-F228 HydrophobicContact CD-CD1 3.95Å; L183-F228 HydrophobicContact CD1-CB 3.3Å; L183-F228 HydrophobicContact CD1-CD1 4.05Å; L183-F228 HydrophobicContact CD1-CD2 4.09Å; L183-F228 HydrophobicContact CD1-CG 3.58Å; L216-F228 HydrophobicContact CD2-CD2 3.96Å; L216-F228 HydrophobicContact CD2-CE2 3.97Å; V219-F228 HydrophobicContact CG2-CZ 4.41Å; L226-F228 HydrophobicContact CD2-CE1 4.47Å; L226-F228 HydrophobicContact CD2-CE2 3.5Å; L226-F228 VanDerWaalsContact CD2-CE2 3.5Å; L226-F228 HydrophobicContact CD2-CZ 3.46Å; L226-F228 VanDerWaalsContact CD2-CZ 3.46Å; L226-F228 HydrophobicContact CG-CD2 4.35Å; L226-F228 HydrophobicContact CG-CE2 3.76Å; L226-F228 HydrophobicContact CG-CZ 4.01Å; F228-E230 PolarHBondContact O-N 3.47Å; F228-N234 WeakPolarHBondContact O-CA 3.3Å; F228-N234 PolarHBondContact O-OD1 3.45Å; F228-A235 HydrophobicContact CB-CB 4.42Å; F228-A235 PolarHBondContact N-O 2.83Å; F228-A235 PolarHBondContact O-N 3.11Å; F228-A235 VanDerWaalsContact O-N 3.17Å
229E88.7Confident89.1Confident132 Ų13240.6 Ų40.662%0.61721%0.211SC*.EExtended strand (participates in β ladder)trans-82.3111.1178.9-63.1168.8165.900109.4K180K180-E229 PolarHBondContact NZ-O 2.75Å
230E90Very high89Confident38 Ų3841.4 Ų41.418%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-124.5161.5169.9-64.8-61.8159.400109.6K180 L183 Q184 F228 R232 V233K180-E230 WeakPolarHBondContact CD-OE1 3.29Å; K180-E230 WeakPolarHBondContact CE-OE1 3.46Å; K180-E230 IonicContact NZ-OE1 3.22Å; K180-E230 PolarHBondContact NZ-OE1 3.24Å; L183-E230 HydrophobicContact CB-CG 4.02Å; Q184-E230 HydrophobicContact CG-CG 4.28Å; Q184-E230 WeakPolarHBondContact CG-OE1 3.48Å; Q184-E230 VanDerWaalsContact CG-OE2 3.31Å; Q184-E230 WeakPolarHBondContact CG-OE2 3.46Å; Q184-E230 PolarHBondContact NE2-OE1 3.36Å; F228-E230 PolarHBondContact O-N 3.47Å; E230-R232 PolarHBondContact O-N 2.96Å; E230-V233 CarbonylContact C-O 3.58Å; E230-V233 WeakPolarHBondContact CA-O 3.19Å; E230-V233 HydrophobicContact CB-CG1 3.89Å; E230-V233 WeakPolarHBondContact CB-O 3.32Å; E230-V233 PolarHBondContact N-O 2.85Å; E230-V233 CarbonylContact O-C 3.56Å; E230-V233 PolarHBondContact O-N 3.3Å
231D85.1Confident89Confident88 Ų8843.3 Ų43.347%0.47123%0.227SC..THydrogen-bonded Turntrans-63.2133.1174.5-174.927.7000109.8S187 Q191 V233S187-D231 VanDerWaalsContact CB-O 3.23Å; S187-D231 WeakPolarHBondContact CB-O 3.43Å; S187-D231 PolarHBondContact OG-O 2.8Å; Q191-D231 WeakPolarHBondContact CG-OD2 3.45Å; Q191-D231 PolarHBondContact NE2-OD2 3.48Å; D231-V233 PolarHBondContact O-N 3.42Å; D231-V233 VanDerWaalsContact O-N 3.09Å
232R88.8Confident88.6Confident108 Ų10849.3 Ų49.341%0.40827%0.266SS..THydrogen-bonded Turntrans64.3-5.2-175.5-52.8-71.3179.6161.7-2.9117.4L190 Q191 E230 S294L190-R232 HydrophobicContact CB-CB 3.97Å; L190-R232 HydrophobicContact CD1-CB 4.28Å; Q191-R232 HydrophobicContact CG-CG 4.26Å; E230-R232 PolarHBondContact O-N 2.96Å; R232-S294 VanDerWaalsContact CD-O 3.26Å; R232-S294 WeakPolarHBondContact CD-O 3.48Å; R232-S294 PolarHBondContact NH1-O 3.47Å; R232-S294 VanDerWaalsContact NH1-O 3.09Å; R232-S294 PolarHBondContact O-N 3.13Å
233V92.8Very high88.7Confident2 Ų252.4 Ų52.41%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-147.3125.3175.961.40000111.9L183 L190 E230 D231 V291 D292 F293L183-V233 HydrophobicContact CD2-CG1 4.44Å; L183-V233 HydrophobicContact CD2-CG2 4.26Å; L190-V233 HydrophobicContact CD1-CB 3.97Å; L190-V233 HydrophobicContact CD1-CG1 4.26Å; E230-V233 CarbonylContact C-O 3.58Å; E230-V233 WeakPolarHBondContact CA-O 3.19Å; E230-V233 HydrophobicContact CB-CG1 3.89Å; E230-V233 WeakPolarHBondContact CB-O 3.32Å; E230-V233 PolarHBondContact N-O 2.85Å; E230-V233 CarbonylContact O-C 3.56Å; E230-V233 PolarHBondContact O-N 3.3Å; D231-V233 PolarHBondContact O-N 3.42Å; D231-V233 VanDerWaalsContact O-N 3.09Å; V233-V291 HydrophobicContact CG2-CG1 4.25Å; V233-D292 CarbonylContact C-O 3.47Å; V233-D292 WeakPolarHBondContact CA-O 3.33Å; V233-F293 HydrophobicContact CB-CD1 4.07Å; V233-F293 HydrophobicContact CB-CE1 4.24Å; V233-F293 HydrophobicContact CG2-CD1 3.71Å; V233-F293 HydrophobicContact CG2-CE1 3.54Å; V233-F293 HydrophobicContact CG2-CZ 4.23Å
234N93.2Very high88.5Confident41 Ų4152.4 Ų52.422%0.21928%0.284CS..EExtended strand (participates in β ladder)trans-124.2115174.7-175.45.1000110.2F228 D292F228-N234 WeakPolarHBondContact O-CA 3.3Å; F228-N234 PolarHBondContact O-OD1 3.45Å; N234-D292 HydrophobicContact CB-CB 4.34Å; N234-D292 PolarHBondContact N-O 2.92Å; N234-D292 PolarHBondContact O-N 3.16Å
235A94.2Very high88.2Confident0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-109.1119.3178.500000110.5L183 L216 S227 F228 V291L183-A235 HydrophobicContact CD1-CB 4.13Å; L183-A235 HydrophobicContact CD2-CB 4.47Å; L216-A235 HydrophobicContact CD1-CB 3.96Å; L216-A235 HydrophobicContact CD2-CB 3.91Å; S227-A235 CarbonylContact C-O 3.48Å; S227-A235 WeakPolarHBondContact CA-O 3.26Å; F228-A235 HydrophobicContact CB-CB 4.42Å; F228-A235 PolarHBondContact N-O 2.83Å; F228-A235 PolarHBondContact O-N 3.11Å; F228-A235 VanDerWaalsContact O-N 3.17Å; A235-V291 HydrophobicContact CB-CG1 4.37Å; A235-V291 HydrophobicContact CB-CG2 4.33Å
236T93.6Very high87.9Confident13 Ų1349.1 Ų49.18%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-117.6135.6177.9-57.50000111.6T225 L226 S227 W238 L289 V290T225-T236 HydrophobicContact CG2-CG2 3.48Å; T225-T236 VanDerWaalsContact CG2-CG2 3.48Å; L226-T236 CarbonylContact O-C 3.5Å; L226-T236 WeakPolarHBondContact O-CA 3.33Å; S227-T236 WeakPolarHBondContact CB-OG1 3.33Å; S227-T236 WeakPolarHBondContact OG-CG2 3.29Å; S227-T236 PolarHBondContact OG-OG1 2.87Å; T236-W238 VanDerWaalsContact CB-CZ3 3.43Å; T236-W238 HydrophobicContact CG2-CD2 3.92Å; T236-W238 HydrophobicContact CG2-CE3 3.76Å; T236-W238 HydrophobicContact CG2-CH2 3.18Å; T236-W238 HydrophobicContact CG2-CZ2 3.34Å; T236-W238 HydrophobicContact CG2-CZ3 3.38Å; T236-W238 VanDerWaalsContact O-CZ3 3.26Å; T236-W238 WeakPolarHBondContact O-CZ3 3.45Å; T236-L289 WeakPolarHBondContact O-CA 3.22Å; T236-V290 PolarHBondContact N-O 2.93Å; T236-V290 PolarHBondContact O-N 3.32Å
237V93.9Very high87.7Confident0 Ų056.4 Ų56.40%030%0.3CS..EExtended strand (participates in β ladder)trans-119.3123.9-179.6-172.80000109L216 F221 T225 L226 R287 L288L216-V237 HydrophobicContact CB-CG2 3.98Å; L216-V237 HydrophobicContact CD2-CG2 3.56Å; L216-V237 HydrophobicContact CG-CG2 4.36Å; F221-V237 HydrophobicContact CE1-CB 4.34Å; F221-V237 HydrophobicContact CE1-CG1 4.03Å; F221-V237 HydrophobicContact CZ-CB 4.47Å; F221-V237 HydrophobicContact CZ-CG1 4.29Å; T225-V237 CarbonylContact C-O 3.51Å; T225-V237 VanDerWaalsContact CA-O 3.31Å; T225-V237 WeakPolarHBondContact CA-O 3.11Å; L226-V237 PolarHBondContact N-O 2.91Å; L226-V237 PolarHBondContact O-N 2.98Å; V237-R287 HydrophobicContact CG1-CB 4.17Å; V237-R287 HydrophobicContact CG1-CG 4.39Å; V237-L288 WeakPolarHBondContact CA-O 3.11Å
238W91.5Very high87.7Confident54 Ų5457 Ų5721%0.20530%0.3CS..EExtended strand (participates in β ladder)trans-109133.1172.6-65.8-103.8000110D224 T225 T236 I251 R287 L288 V290D224-W238 CarbonylContact O-C 3.52Å; D224-W238 WeakPolarHBondContact O-CA 3.37Å; T225-W238 HydrophobicContact CG2-CD2 4.26Å; T225-W238 HydrophobicContact CG2-CG 4.23Å; T225-W238 PolarHBondContact OG1-NE1 2.91Å; T236-W238 VanDerWaalsContact CB-CZ3 3.43Å; T236-W238 HydrophobicContact CG2-CD2 3.92Å; T236-W238 HydrophobicContact CG2-CE3 3.76Å; T236-W238 HydrophobicContact CG2-CH2 3.18Å; T236-W238 HydrophobicContact CG2-CZ2 3.34Å; T236-W238 HydrophobicContact CG2-CZ3 3.38Å; T236-W238 VanDerWaalsContact O-CZ3 3.26Å; T236-W238 WeakPolarHBondContact O-CZ3 3.45Å; W238-I251 HydrophobicContact CH2-CD1 4.13Å; W238-I251 HydrophobicContact CH2-CG2 4.48Å; W238-I251 HydrophobicContact CZ2-CD1 4.15Å; W238-I251 HydrophobicContact CZ2-CG2 4.35Å; W238-R287 CarbonylContact O-C 3.6Å; W238-R287 WeakPolarHBondContact O-CA 3.46Å; W238-R287 WeakPolarHBondContact O-CB 3.44Å; W238-L288 HydrophobicContact CB-CB 4.3Å; W238-L288 HydrophobicContact CE3-CD2 4.24Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 2.87Å; W238-L288 PolarHBondContact O-N 2.75Å; W238-V290 HydrophobicContact CE3-CG2 4.36Å; W238-V290 HydrophobicContact CH2-CB 3.87Å; W238-V290 HydrophobicContact CH2-CG2 3.84Å; W238-V290 HydrophobicContact CZ3-CB 3.56Å; W238-V290 HydrophobicContact CZ3-CG2 3.44Å; W238-V290 VanDerWaalsContact CZ3-CG2 3.44Å
239K89.2Confident87.7Confident59 Ų5959.7 Ų59.726%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-79.9115163.1-66.5177.6-171.4159.50107.8F221 G223 D224 P241F221-K239 HydrophobicContact CE1-CG 4.44Å; F221-K239 HydrophobicContact CE2-CD 4.28Å; F221-K239 HydrophobicContact CE2-CG 4.31Å; F221-K239 HydrophobicContact CZ-CD 4.17Å; F221-K239 HydrophobicContact CZ-CG 3.8Å; F221-K239 PolarHBondContact O-NZ 3.29Å; G223-K239 WeakPolarHBondContact O-CE 3.39Å; G223-K239 PolarHBondContact O-NZ 3.32Å; D224-K239 PolarHBondContact O-N 3.35Å; K239-P241 WeakPolarHBondContact O-CD 3.18Å
240L86.7Confident87.9Confident17 Ų1758.5 Ų58.59%0.08931%0.308CS..  trans-75.5123.2-178.7-66.3170.3000109.2A244 F274 K286 L288L240-A244 HydrophobicContact CB-CB 4.08Å; L240-A244 HydrophobicContact CD2-CB 4.04Å; L240-F274 HydrophobicContact CD1-CD1 3.6Å; L240-F274 HydrophobicContact CD1-CE1 4.01Å; L240-F274 HydrophobicContact CD2-CD1 3.98Å; L240-F274 HydrophobicContact CD2-CE1 3.84Å; L240-F274 HydrophobicContact CG-CD1 4.45Å; L240-K286 WeakPolarHBondContact CB-O 3.44Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 3.4Å; L240-L288 HydrophobicContact CD1-CB 4.26Å; L240-L288 HydrophobicContact CD2-CB 4.02Å; L240-L288 HydrophobicContact CG-CB 4.21Å
241P83.2Confident87.9Confident70 Ų7057.6 Ų57.646%0.45530%0.304SS..  trans-66.9158.7172.128.6-35.3000110.2K239 T243 A244K239-P241 WeakPolarHBondContact O-CD 3.18Å; P241-T243 PolarHBondContact O-N 3.06Å; P241-A244 HydrophobicContact CG-CB 4.2Å; P241-A244 VanDerWaalsContact O-CB 3.25Å; P241-A244 WeakPolarHBondContact O-CB 3.35Å; P241-A244 PolarHBondContact O-N 3.25Å
242P78.2Confident88.2Confident129 Ų12959.7 Ų59.784%0.83831%0.311SS*.THydrogen-bonded Turntrans-56.1-22.6175.1-25.334.4000114.1
243T82.3Confident88.2Confident88 Ų8855.8 Ų55.854%0.5430%0.3SS..THydrogen-bonded Turntrans-82.7-8.6177.550.30000114.2P241 G245 L246P241-T243 PolarHBondContact O-N 3.06Å; T243-G245 PolarHBondContact O-N 2.96Å; T243-L246 HydrophobicContact CG2-CD1 4Å; T243-L246 VanDerWaalsContact O-CB 3.29Å; T243-L246 WeakPolarHBondContact O-CB 3.34Å; T243-L246 WeakPolarHBondContact O-CG 3.46Å; T243-L246 PolarHBondContact O-N 3.15Å
244A81Confident87.5Confident21 Ų2164 Ų6417%0.17434%0.338CS..THydrogen-bonded Turntrans-59.1-22.9-17600000114.1L240 P241 L246 F274L240-A244 HydrophobicContact CB-CB 4.08Å; L240-A244 HydrophobicContact CD2-CB 4.04Å; P241-A244 HydrophobicContact CG-CB 4.2Å; P241-A244 VanDerWaalsContact O-CB 3.25Å; P241-A244 WeakPolarHBondContact O-CB 3.35Å; P241-A244 PolarHBondContact O-N 3.25Å; A244-L246 VanDerWaalsContact C-N 3.26Å; A244-L246 PolarHBondContact O-N 3.29Å; A244-F274 HydrophobicContact CB-CB 4.36Å; A244-F274 HydrophobicContact CB-CG 4.37Å; A244-F274 VanDerWaalsContact O-CD2 3.25Å; A244-F274 WeakPolarHBondContact O-CD2 3.22Å
245G79.3Confident86.5Confident13 Ų1368.2 Ų68.213%0.13435%0.354CS..THydrogen-bonded Turntrans-79.93.9174.900000115.5T243 Q275T243-G245 PolarHBondContact O-N 2.96Å; G245-Q275 VanDerWaalsContact O-CG 3.29Å; G245-Q275 WeakPolarHBondContact O-CG 3.29Å; G245-Q275 PolarHBondContact O-NE2 3.28Å
246L81.7Confident85.4Confident102 Ų10271 Ų7153%0.53437%0.367SS..SBendtrans-92.2-33.2-178.5-63.7171.7000112.7T243 A244 R271T243-L246 HydrophobicContact CG2-CD1 4Å; T243-L246 VanDerWaalsContact O-CB 3.29Å; T243-L246 WeakPolarHBondContact O-CB 3.34Å; T243-L246 WeakPolarHBondContact O-CG 3.46Å; T243-L246 PolarHBondContact O-N 3.15Å; A244-L246 VanDerWaalsContact C-N 3.26Å; A244-L246 PolarHBondContact O-N 3.29Å; L246-R271 WeakPolarHBondContact O-CD 3.29Å
247E87.8Confident84.2Confident155 Ų15577.7 Ų77.772%0.72440%0.398SS*.SBendtrans-134.7158.4-170.9-65.3-178.7178.600111.3
248D89.4Confident82.5Confident67 Ų6784.7 Ų84.736%0.35843%0.431SS..  trans-78.4138.2177.6-63.3-11.2000110.2H250 L269 P270 R271D248-H250 PolarHBondContact O-ND1 2.85Å; D248-L269 WeakPolarHBondContact CA-O 3.46Å; D248-P270 WeakPolarHBondContact OD1-CA 3.44Å; D248-R271 PolarHBondContact OD1-N 3.19Å
249L90.7Very high81Confident56 Ų5690.5 Ų90.529%0.29346%0.46SS..EExtended strand (participates in β ladder)trans-95.6123.2-178.8-174.367.5000110.4I251 L269 F274 L288L249-I251 HydrophobicContact CD2-CD1 4.13Å; L249-I251 HydrophobicContact CD2-CG1 4.39Å; L249-I251 HydrophobicContact CG-CD1 4.49Å; L249-I251 HydrophobicContact CG-CG1 4.24Å; L249-L269 HydrophobicContact CB-CB 4.28Å; L249-L269 HydrophobicContact CD2-CD1 4.38Å; L249-L269 PolarHBondContact N-O 3.44Å; L249-L269 PolarHBondContact O-N 3.07Å; L249-F274 HydrophobicContact CB-CE2 3.75Å; L249-F274 HydrophobicContact CB-CZ 3.88Å; L249-F274 HydrophobicContact CD2-CZ 3.91Å; L249-L288 HydrophobicContact CD2-CD2 3.5Å
250H92.4Very high80.2Confident107 Ų10789.7 Ų89.750%0.49546%0.462SS..EExtended strand (participates in β ladder)trans-105.5126.3176.8-6674.8000110.4D248 L267 L268D248-H250 PolarHBondContact O-ND1 2.85Å; H250-L267 CarbonylContact C-O 3.59Å; H250-L267 WeakPolarHBondContact CA-O 3.42Å; H250-L268 VanDerWaalsContact NE2-CD1 3.3Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.49Å
251I91.1Very high79.9Confident19 Ų1992.8 Ų92.810%0.09748%0.476CS..EExtended strand (participates in β ladder)trans-123.8132179.2-57.2172.3000108.1W238 L249 S266 L267 L269 L288 V290W238-I251 HydrophobicContact CH2-CD1 4.13Å; W238-I251 HydrophobicContact CH2-CG2 4.48Å; W238-I251 HydrophobicContact CZ2-CD1 4.15Å; W238-I251 HydrophobicContact CZ2-CG2 4.35Å; L249-I251 HydrophobicContact CD2-CD1 4.13Å; L249-I251 HydrophobicContact CD2-CG1 4.39Å; L249-I251 HydrophobicContact CG-CD1 4.49Å; L249-I251 HydrophobicContact CG-CG1 4.24Å; I251-S266 CarbonylContact O-C 3.59Å; I251-S266 WeakPolarHBondContact O-CA 3.19Å; I251-L267 HydrophobicContact CB-CB 4.22Å; I251-L267 HydrophobicContact CB-CD1 4.4Å; I251-L267 PolarHBondContact N-O 3.34Å; I251-L267 PolarHBondContact O-N 3.48Å; I251-L269 HydrophobicContact CD1-CD1 4.22Å; I251-L288 HydrophobicContact CD1-CD2 4Å; I251-V290 HydrophobicContact CD1-CG2 4.06Å
252H91.7Very high80Confident132 Ų13289.6 Ų89.661%0.61146%0.455SS*.EExtended strand (participates in β ladder)trans-122.4135.8177.7-61.782.9000109.2S266H252-S266 PolarHBondContact CD2-OG 3.05Å; H252-S266 VanDerWaalsContact CD2-OG 3.27Å
253S87.9Confident80.5Confident26 Ų2685.9 Ų85.918%0.18243%0.427CS..PPolyproline II helixtrans-78.5157.9171.384.70000110.7A264 Y265S253-A264 WeakPolarHBondContact OG-CA 3.39Å; S253-Y265 VanDerWaalsContact CB-CD1 3.44Å; S253-Y265 PolarHBondContact N-O 3.02Å; S253-Y265 PolarHBondContact OG-N 3.49Å; S253-Y265 PolarHBondContact OG-O 3.27Å
254Q79Confident81Confident174 Ų17482.5 Ų82.581%0.81341%0.407SS*.PPolyproline II helixtrans-69.4151164.7-162.4165.9-29.200109.5E256Q254-E256 PolarHBondContact O-N 3.27Å
255K71.4Confident81.5Confident130 Ų13082.3 Ų82.357%0.56540%0.402SS*.PPolyproline II helixtrans-70121.8177-166.5179.4178.7-169.90109.1Q263K255-Q263 CarbonylContact C-O 3.57Å; K255-Q263 WeakPolarHBondContact CA-O 3.33Å
256E72.2Confident82.3Confident58 Ų5882.6 Ų82.627%0.27140%0.402SS..PPolyproline II helixtrans-71.6169.6172.9-66.2-169.3177.500111.1Q254 S260 Q263 K311Q254-E256 PolarHBondContact O-N 3.27Å; E256-S260 PolarHBondContact OE2-OG 3.45Å; E256-Q263 PolarHBondContact N-O 3.39Å; E256-K311 WeakPolarHBondContact OE1-CE 3.23Å; E256-K311 IonicContact OE1-NZ 3.19Å; E256-K311 PolarHBondContact OE1-NZ 2.85Å
257E67.4Low82.9Confident155 Ų15577.9 Ų77.972%0.72438%0.377SS*.PPolyproline II helixtrans-52.9142.9176.1-72.1-175.4168.200111.4Q259 S260E257-Q259 PolarHBondContact O-N 3.4Å; E257-S260 PolarHBondContact O-N 3Å
258E57.7Low83.2Confident147 Ų14772.9 Ų72.969%0.68736%0.355SS*.THydrogen-bonded Turntrans-59.5-18.8-174.2-70-170.8147.900114.1Q336E258-Q336 PolarHBondContact O-NE2 3.35Å
259Q60.4Low83.4Confident176 Ų17669.7 Ų69.782%0.82234%0.338SS*.THydrogen-bonded Turntrans-82.9-14.8179.8-65.8-177200114.2E257E257-Q259 PolarHBondContact O-N 3.4Å
260S72.8Confident83.5Confident41 Ų4167 Ų6729%0.28732%0.324SS..SBendtrans-67.5139.4175-70.50000110.8E256 E257 V262E256-S260 PolarHBondContact OE2-OG 3.45Å; E257-S260 PolarHBondContact O-N 3Å; S260-V262 WeakPolarHBondContact CB-O 3.46Å; S260-V262 PolarHBondContact O-N 2.96Å
261E81.2Confident83.3Confident82 Ų8267.6 Ų67.638%0.38332%0.322SS..SBendtrans-58.2-39.5174.8-73.9-174.6167.700111.6G309 H335 Q336E261-G309 WeakPolarHBondContact OE2-CA 3.29Å; E261-G309 PolarHBondContact OE2-N 3.03Å; E261-H335 CarbonylContact O-C 3.5Å; E261-H335 WeakPolarHBondContact O-CA 3.33Å; E261-H335 WeakPolarHBondContact O-CB 3.5Å; E261-Q336 PolarHBondContact O-N 2.86Å
262V85.2Confident83.1Confident3 Ų367.9 Ų67.92%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-102.3124.1171.8179.30000108.5S260 L308 K311 F333S260-V262 WeakPolarHBondContact CB-O 3.46Å; S260-V262 PolarHBondContact O-N 2.96Å; V262-L308 HydrophobicContact CG2-CD2 4.13Å; V262-L308 HydrophobicContact CG2-CG 3.8Å; V262-K311 HydrophobicContact CB-CG 4.05Å; V262-K311 HydrophobicContact CG1-CG 4.12Å; V262-K311 HydrophobicContact CG2-CB 4.44Å; V262-K311 HydrophobicContact CG2-CG 4.17Å; V262-F333 HydrophobicContact CG1-CD1 4.45Å
263Q88Confident82.8Confident52 Ų5261.6 Ų61.624%0.24330%0.298CS..EExtended strand (participates in β ladder)trans-96.6-33.8-175.3-64.2-179-8.200112.7K255 E256 Q334K255-Q263 CarbonylContact C-O 3.57Å; K255-Q263 WeakPolarHBondContact CA-O 3.33Å; E256-Q263 PolarHBondContact N-O 3.39Å; Q263-Q334 PolarHBondContact N-O 3.32Å
264A92Very high82.6Confident16 Ų1660.6 Ų60.613%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-162166.8179.100000110.4S253 Q334S253-A264 WeakPolarHBondContact OG-CA 3.39Å; A264-Q334 HydrophobicContact CB-CB 4.43Å; A264-Q334 PolarHBondContact O-N 3.46Å; A264-Q334 PolarHBondContact O-OE1 3.42Å
265Y93.3Very high82.5Confident18 Ų1856.8 Ų56.87%0.07127%0.273CS..EExtended strand (participates in β ladder)trans-136.7159.2166.867.6-94.5000112.3S253 L267 D292 L313 T332S253-Y265 VanDerWaalsContact CB-CD1 3.44Å; S253-Y265 PolarHBondContact N-O 3.02Å; S253-Y265 PolarHBondContact OG-N 3.49Å; S253-Y265 PolarHBondContact OG-O 3.27Å; Y265-L267 HydrophobicContact CD2-CD1 4.43Å; Y265-L267 HydrophobicContact CD2-CD2 4.16Å; Y265-L267 HydrophobicContact CD2-CG 4.01Å; Y265-L267 HydrophobicContact CE2-CD1 4.12Å; Y265-L267 HydrophobicContact CE2-CG 4.18Å; Y265-D292 HydrophobicContact CE1-CB 4.36Å; Y265-D292 VanDerWaalsContact CE1-OD2 3.28Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.41Å; Y265-L313 HydrophobicContact CD2-CD2 3.69Å; Y265-L313 HydrophobicContact CE1-CD1 4.45Å; Y265-L313 HydrophobicContact CE2-CD1 4.15Å; Y265-L313 HydrophobicContact CE2-CD2 3.81Å; Y265-L313 HydrophobicContact CG-CD2 4.16Å; Y265-T332 CarbonylContact C-O 3.57Å; Y265-T332 WeakPolarHBondContact CA-O 3.49Å
266S94.6Very high82Confident19 Ų1957.4 Ų57.413%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-137.2140.1175.1-50.10000109.4I251 H252 L331 T332I251-S266 CarbonylContact O-C 3.59Å; I251-S266 WeakPolarHBondContact O-CA 3.19Å; H252-S266 PolarHBondContact CD2-OG 3.05Å; H252-S266 VanDerWaalsContact CD2-OG 3.27Å; S266-L331 WeakPolarHBondContact O-CA 3.38Å; S266-T332 PolarHBondContact N-O 3.08Å; S266-T332 PolarHBondContact O-N 3.01Å
267L94.4Very high81.3Confident3 Ų355.9 Ų55.92%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-123.2132.8-179.1-49.5172.6000109.7H250 I251 Y265 V290 L313 I315 V330 L331H250-L267 CarbonylContact C-O 3.59Å; H250-L267 WeakPolarHBondContact CA-O 3.42Å; I251-L267 HydrophobicContact CB-CB 4.22Å; I251-L267 HydrophobicContact CB-CD1 4.4Å; I251-L267 PolarHBondContact N-O 3.34Å; I251-L267 PolarHBondContact O-N 3.48Å; Y265-L267 HydrophobicContact CD2-CD1 4.43Å; Y265-L267 HydrophobicContact CD2-CD2 4.16Å; Y265-L267 HydrophobicContact CD2-CG 4.01Å; Y265-L267 HydrophobicContact CE2-CD1 4.12Å; Y265-L267 HydrophobicContact CE2-CG 4.18Å; L267-V290 HydrophobicContact CD1-CG1 3.99Å; L267-V290 HydrophobicContact CD1-CG2 4.35Å; L267-L313 HydrophobicContact CD1-CD2 3.96Å; L267-L313 HydrophobicContact CD2-CD2 3.4Å; L267-L313 HydrophobicContact CG-CD2 4.11Å; L267-I315 HydrophobicContact CD1-CD1 4.15Å; L267-I315 HydrophobicContact CD1-CG1 4.36Å; L267-I315 HydrophobicContact CD2-CD1 4.2Å; L267-V330 WeakPolarHBondContact CA-O 3.41Å; L267-L331 HydrophobicContact CD2-CB 3.94Å; L267-L331 HydrophobicContact CD2-CD2 3.81Å; L267-L331 HydrophobicContact CD2-CG 3.73Å
268L94.9Very high80.7Confident49 Ų4958.4 Ų58.426%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-115112.4168.5-174.6157000107.6H250 P270 V329 V330H250-L268 VanDerWaalsContact NE2-CD1 3.3Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.49Å; L268-P270 HydrophobicContact CD2-CG 4.26Å; L268-V329 WeakPolarHBondContact O-CA 3.46Å; L268-V330 HydrophobicContact CB-CB 4.12Å; L268-V330 PolarHBondContact N-O 3.36Å; L268-V330 PolarHBondContact O-N 3.08Å
269L92.9Very high80.5Confident0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-103.7110.8177.2-60.2176.9000109.2D248 L249 I251 F274 L288 I315 V329 L382D248-L269 WeakPolarHBondContact CA-O 3.46Å; L249-L269 HydrophobicContact CB-CB 4.28Å; L249-L269 HydrophobicContact CD2-CD1 4.38Å; L249-L269 PolarHBondContact N-O 3.44Å; L249-L269 PolarHBondContact O-N 3.07Å; I251-L269 HydrophobicContact CD1-CD1 4.22Å; L269-F274 HydrophobicContact CB-CE2 4.15Å; L269-F274 HydrophobicContact CB-CZ 3.85Å; L269-F274 HydrophobicContact CD1-CZ 4.02Å; L269-L288 HydrophobicContact CD1-CD1 3.86Å; L269-L288 HydrophobicContact CD1-CD2 3.54Å; L269-L288 HydrophobicContact CD1-CG 4.35Å; L269-I315 HydrophobicContact CD1-CG2 4.37Å; L269-I315 HydrophobicContact CD2-CD1 4.27Å; L269-I315 HydrophobicContact CD2-CG2 4.01Å; L269-V329 HydrophobicContact CD2-CG1 3.68Å; L269-V329 HydrophobicContact CD2-CG2 4.12Å; L269-L382 HydrophobicContact CD2-CD2 4.17Å
270P92.4Very high80Confident1 Ų158.1 Ų58.11%0.00628%0.277CS..  trans-62.1144.5-179.9-23.333.5000111.9D248 L268 A272 V273 D327 P328D248-P270 WeakPolarHBondContact OD1-CA 3.44Å; L268-P270 HydrophobicContact CD2-CG 4.26Å; P270-A272 PolarHBondContact O-N 3.45Å; P270-V273 WeakPolarHBondContact O-CB 3.42Å; P270-V273 WeakPolarHBondContact O-CG2 3.17Å; P270-V273 PolarHBondContact O-N 3.23Å; P270-D327 HydrophobicContact CB-CB 3.99Å; P270-D327 HydrophobicContact CG-CB 4.1Å; P270-D327 WeakPolarHBondContact CG-O 3.5Å; P270-P328 VanDerWaalsContact CG-O 3.27Å; P270-P328 WeakPolarHBondContact CG-O 3.27Å
271R88.8Confident79.3Confident119 Ų11966 Ų6645%0.44930%0.301SS..Hα-helixtrans-50.8-30.6177.363.2-172.1173.9-179.7-4.5114.1L246 D248 V273 F274 Q275L246-R271 WeakPolarHBondContact O-CD 3.29Å; D248-R271 PolarHBondContact OD1-N 3.19Å; R271-V273 PolarHBondContact O-N 3.3Å; R271-F274 PolarHBondContact O-N 2.97Å; R271-Q275 WeakPolarHBondContact O-CG 3.3Å; R271-Q275 PolarHBondContact O-N 2.69Å
272A86.2Confident77.9Confident24 Ų2473.7 Ų73.720%0.19833%0.327CS..Hα-helixtrans-57.8-32.7177.400000112.8P270 F274 Q275 Q276 L325P270-A272 PolarHBondContact O-N 3.45Å; A272-F274 PolarHBondContact O-N 3.34Å; A272-Q275 PolarHBondContact O-N 3.16Å; A272-Q276 PolarHBondContact O-N 2.82Å; A272-L325 HydrophobicContact CB-CD2 3.99Å
273V86Confident76.5Confident0 Ų080.6 Ų80.60%036%0.363CS..Hα-helixtrans-55.2-41.4173.51710000111P270 R271 V317 V322 L325 V329 L382P270-V273 WeakPolarHBondContact O-CB 3.42Å; P270-V273 WeakPolarHBondContact O-CG2 3.17Å; P270-V273 PolarHBondContact O-N 3.23Å; R271-V273 PolarHBondContact O-N 3.3Å; V273-V317 HydrophobicContact CG1-CG2 3.69Å; V273-V322 HydrophobicContact CG2-CG1 4.39Å; V273-L325 HydrophobicContact CG2-CD1 3.8Å; V273-L325 HydrophobicContact CG2-CD2 4.1Å; V273-V329 HydrophobicContact CG2-CG2 4.11Å; V273-L382 HydrophobicContact CG1-CD1 3.57Å; V273-L382 HydrophobicContact CG2-CD1 4.44Å
274F84Confident75.3Confident6 Ų684.1 Ų84.13%0.02638%0.384CS..Hα-helixtrans-89.9-26-177.4-47.3-61.7000112.2L240 A244 L249 L269 R271 A272 T277 L288L240-F274 HydrophobicContact CD1-CD1 3.6Å; L240-F274 HydrophobicContact CD1-CE1 4.01Å; L240-F274 HydrophobicContact CD2-CD1 3.98Å; L240-F274 HydrophobicContact CD2-CE1 3.84Å; L240-F274 HydrophobicContact CG-CD1 4.45Å; A244-F274 HydrophobicContact CB-CB 4.36Å; A244-F274 HydrophobicContact CB-CG 4.37Å; A244-F274 VanDerWaalsContact O-CD2 3.25Å; A244-F274 WeakPolarHBondContact O-CD2 3.22Å; L249-F274 HydrophobicContact CB-CE2 3.75Å; L249-F274 HydrophobicContact CB-CZ 3.88Å; L249-F274 HydrophobicContact CD2-CZ 3.91Å; L269-F274 HydrophobicContact CB-CE2 4.15Å; L269-F274 HydrophobicContact CB-CZ 3.85Å; L269-F274 HydrophobicContact CD1-CZ 4.02Å; R271-F274 PolarHBondContact O-N 2.97Å; A272-F274 PolarHBondContact O-N 3.34Å; F274-T277 WeakPolarHBondContact O-CB 3.27Å; F274-T277 PolarHBondContact O-N 3.47Å; F274-T277 PolarHBondContact O-OG1 3.07Å; F274-L288 HydrophobicContact CE1-CD1 4.45Å; F274-L288 HydrophobicContact CE1-CD2 4.36Å; F274-L288 HydrophobicContact CZ-CD2 4.45Å
275Q76.1Confident74.4Confident94 Ų9486.6 Ų86.644%0.43940%0.404SS..Hα-helixtrans-65.8-37.8176.6-72.4178.10.900112.7G245 R271 A272 T277 R278G245-Q275 VanDerWaalsContact O-CG 3.29Å; G245-Q275 WeakPolarHBondContact O-CG 3.29Å; G245-Q275 PolarHBondContact O-NE2 3.28Å; R271-Q275 WeakPolarHBondContact O-CG 3.3Å; R271-Q275 PolarHBondContact O-N 2.69Å; A272-Q275 PolarHBondContact O-N 3.16Å; Q275-T277 PolarHBondContact O-N 3.26Å; Q275-R278 PolarHBondContact O-N 3.5Å
276Q61.2Low73.9Confident143 Ų14388.3 Ų88.367%0.66841%0.412SS*.THydrogen-bonded Turntrans-59.9-15.8177.3-146.283.2-7.200112.6A272A272-Q276 PolarHBondContact O-N 2.82Å
277T58.2Low73.7Confident25 Ų2589 Ų8915%0.15341%0.412CS..THydrogen-bonded Turntrans-85.6-1.8-17875.10000114.8F274 Q275 G279 V317 T320F274-T277 WeakPolarHBondContact O-CB 3.27Å; F274-T277 PolarHBondContact O-N 3.47Å; F274-T277 PolarHBondContact O-OG1 3.07Å; Q275-T277 PolarHBondContact O-N 3.26Å; T277-G279 PolarHBondContact O-N 2.86Å; T277-V317 HydrophobicContact CG2-CG1 3.57Å; T277-T320 HydrophobicContact CG2-CG2 4.23Å
278R54.8Low73.6Confident208 Ų20888.9 Ų88.979%0.78541%0.411SS*.  trans-70.463.9172.1-83.4-175.1177.1166.91.5111.7Q275Q275-R278 PolarHBondContact O-N 3.5Å
279G52.5Low73.6Confident56 Ų5686.6 Ų86.658%0.57740%0.399SS*.  trans-94.4111.7178.200000113.1T277 R281T277-G279 PolarHBondContact O-N 2.86Å; G279-R281 VanDerWaalsContact C-N 3.3Å; G279-R281 PolarHBondContact O-N 3.48Å
280R51.8Low73.7Confident261 Ų26186.8 Ų86.899%0.98540%0.4SS*.SBendtrans42.9-31.5161.5-134171.8-170170.82.5122.4
281R56Low73.8Confident206 Ų20687 Ų8778%0.77740%0.402SS*.SBendtrans-114.1127.5172.2-85.1-175.3-177.81701.2109.3G279 D283G279-R281 VanDerWaalsContact C-N 3.3Å; G279-R281 PolarHBondContact O-N 3.48Å; R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 3.34Å; R281-D283 VanDerWaalsContact O-N 3.17Å
282R53.4Low74Confident245 Ų24581.9 Ų81.993%0.92538%0.383SS*.THydrogen-bonded Turntrans-72.2-8.5-161-141.7174.8-154.9170.44.7115.4
283D55.2Low74.4Confident148 Ų14880.8 Ų80.879%0.79137%0.374SS*.THydrogen-bonded Turntrans-13710.3-163.1-68.7-49.2000116.4R281 A285R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 3.34Å; R281-D283 VanDerWaalsContact O-N 3.17Å; D283-A285 PolarHBondContact O-N 2.9Å
284D63.3Low74.7Confident125 Ų12581.7 Ų81.767%0.66838%0.38SS*.  trans-83.4106174.8-75.6-16.4000110.5K286D284-K286 PolarHBondContact O-N 3.49Å; D284-K286 VanDerWaalsContact O-N 3.09Å
285A71.9Confident75Confident68 Ų6881.6 Ų81.656%0.56238%0.381SS*.  trans-58.7111.2175.700000110.7D283D283-A285 PolarHBondContact O-N 2.9Å
286K84Confident75.7Confident54 Ų5478.1 Ų78.124%0.23536%0.364CS..  trans-74.2158.1176.2-68.5-73.9-173173.50110.8L240 D284 Q318L240-K286 WeakPolarHBondContact CB-O 3.44Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 3.4Å; D284-K286 PolarHBondContact O-N 3.49Å; D284-K286 VanDerWaalsContact O-N 3.09Å; K286-Q318 PolarHBondContact NZ-O 3.44Å
287R90.1Very high77.1Confident34 Ų3472.1 Ų72.113%0.12834%0.339CS..EExtended strand (participates in β ladder)trans-120.4139.6177.6-60.7179-177.3-162.21.3112.1L216 T217 V219 V237 W238 L289 Q318L216-R287 PolarHBondContact O-NH1 3.01Å; T217-R287 VanDerWaalsContact O-CD 3.29Å; T217-R287 WeakPolarHBondContact O-CD 3.46Å; T217-R287 VanDerWaalsContact O-CZ 3.28Å; T217-R287 PolarHBondContact O-NE 3.47Å; T217-R287 PolarHBondContact O-NH1 3.45Å; T217-R287 VanDerWaalsContact O-NH1 3.14Å; V219-R287 PolarHBondContact O-NH1 3.29Å; V219-R287 PolarHBondContact O-NH2 3.35Å; V237-R287 HydrophobicContact CG1-CB 4.17Å; V237-R287 HydrophobicContact CG1-CG 4.39Å; W238-R287 CarbonylContact O-C 3.6Å; W238-R287 WeakPolarHBondContact O-CA 3.46Å; W238-R287 WeakPolarHBondContact O-CB 3.44Å; R287-L289 HydrophobicContact CB-CD1 4.08Å; R287-Q318 HydrophobicContact CB-CB 4.29Å; R287-Q318 WeakPolarHBondContact O-CB 3.09Å; R287-Q318 PolarHBondContact O-N 2.9Å
288L91.9Very high78.7Confident0 Ų071.7 Ų71.70%034%0.336CS..EExtended strand (participates in β ladder)trans-97.6134166.4172.869.8000108.2V237 W238 L240 L249 I251 L269 F274 V290 I315 V317V237-L288 WeakPolarHBondContact CA-O 3.11Å; W238-L288 HydrophobicContact CB-CB 4.3Å; W238-L288 HydrophobicContact CE3-CD2 4.24Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 2.87Å; W238-L288 PolarHBondContact O-N 2.75Å; L240-L288 HydrophobicContact CD1-CB 4.26Å; L240-L288 HydrophobicContact CD2-CB 4.02Å; L240-L288 HydrophobicContact CG-CB 4.21Å; L249-L288 HydrophobicContact CD2-CD2 3.5Å; I251-L288 HydrophobicContact CD1-CD2 4Å; L269-L288 HydrophobicContact CD1-CD1 3.86Å; L269-L288 HydrophobicContact CD1-CD2 3.54Å; L269-L288 HydrophobicContact CD1-CG 4.35Å; F274-L288 HydrophobicContact CE1-CD1 4.45Å; F274-L288 HydrophobicContact CE1-CD2 4.36Å; F274-L288 HydrophobicContact CZ-CD2 4.45Å; L288-V290 HydrophobicContact CG-CG2 4.43Å; L288-I315 HydrophobicContact CD1-CG2 4.01Å; L288-V317 HydrophobicContact CD1-CG2 3.98Å
289L94.2Very high80.5Confident2 Ų261.8 Ų61.81%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-116.9128.6176.9-73.173.4000107.9E213 L216 T217 T236 R287 I315 V316E213-L289 HydrophobicContact CG-CD2 4.03Å; L216-L289 HydrophobicContact CB-CD2 3.38Å; L216-L289 HydrophobicContact CB-CG 4.15Å; L216-L289 HydrophobicContact CD1-CD2 4.12Å; L216-L289 HydrophobicContact CG-CD2 4.4Å; T217-L289 HydrophobicContact CG2-CD1 3.58Å; T217-L289 HydrophobicContact CG2-CD2 3.82Å; T217-L289 HydrophobicContact CG2-CG 4.39Å; T236-L289 WeakPolarHBondContact O-CA 3.22Å; R287-L289 HydrophobicContact CB-CD1 4.08Å; L289-I315 WeakPolarHBondContact O-CA 3.41Å; L289-V316 HydrophobicContact CB-CB 4.33Å; L289-V316 PolarHBondContact N-O 2.92Å; L289-V316 PolarHBondContact O-N 3.23Å
290V95Very high82.2Confident3 Ų361 Ų612%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-122.7118.4167.3-177.80000107.4T236 W238 I251 L267 L288 L313 G314T236-V290 PolarHBondContact N-O 2.93Å; T236-V290 PolarHBondContact O-N 3.32Å; W238-V290 HydrophobicContact CE3-CG2 4.36Å; W238-V290 HydrophobicContact CH2-CB 3.87Å; W238-V290 HydrophobicContact CH2-CG2 3.84Å; W238-V290 HydrophobicContact CZ3-CB 3.56Å; W238-V290 HydrophobicContact CZ3-CG2 3.44Å; W238-V290 VanDerWaalsContact CZ3-CG2 3.44Å; I251-V290 HydrophobicContact CD1-CG2 4.06Å; L267-V290 HydrophobicContact CD1-CG1 3.99Å; L267-V290 HydrophobicContact CD1-CG2 4.35Å; L288-V290 HydrophobicContact CG-CG2 4.43Å; V290-L313 HydrophobicContact CG1-CD1 3.77Å; V290-L313 HydrophobicContact CG1-CG 4.38Å; V290-G314 CarbonylContact C-O 3.43Å; V290-G314 VanDerWaalsContact CA-O 3.28Å; V290-G314 WeakPolarHBondContact CA-O 3.49Å
291V95Very high83.9Confident6 Ų649.5 Ų49.54%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-115.8107179-170.80000108.1L216 V233 A235 F293 G314L216-V291 HydrophobicContact CD1-CG2 3.94Å; V233-V291 HydrophobicContact CG2-CG1 4.25Å; A235-V291 HydrophobicContact CB-CG1 4.37Å; A235-V291 HydrophobicContact CB-CG2 4.33Å; V291-F293 HydrophobicContact CB-CE2 4.2Å; V291-F293 HydrophobicContact CG1-CD2 4.01Å; V291-F293 HydrophobicContact CG1-CE1 4.39Å; V291-F293 HydrophobicContact CG1-CE2 3.38Å; V291-F293 HydrophobicContact CG1-CZ 3.6Å; V291-G314 PolarHBondContact N-O 3.18Å; V291-G314 PolarHBondContact O-N 3.47Å
292D94.4Very high85.2Confident12 Ų1247.4 Ų47.46%0.06423%0.234CC..EExtended strand (participates in β ladder)trans-95.2115.4178.9175.221.7000109.9V233 N234 Y265 K311 L313V233-D292 CarbonylContact C-O 3.47Å; V233-D292 WeakPolarHBondContact CA-O 3.33Å; N234-D292 HydrophobicContact CB-CB 4.34Å; N234-D292 PolarHBondContact N-O 2.92Å; N234-D292 PolarHBondContact O-N 3.16Å; Y265-D292 HydrophobicContact CE1-CB 4.36Å; Y265-D292 VanDerWaalsContact CE1-OD2 3.28Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.41Å; D292-K311 WeakPolarHBondContact OD1-CD 3.29Å; D292-K311 IonicContact OD1-NZ 3.37Å; D292-K311 PolarHBondContact OD1-NZ 3.4Å; D292-K311 IonicContact OD2-NZ 3.59Å; D292-K311 PolarHBondContact OD2-NZ 3.49Å; D292-L313 HydrophobicContact CB-CD1 3.62Å
293F94.3Very high86.5Confident0 Ų042.4 Ų42.40%023%0.226CC..EExtended strand (participates in β ladder)trans-103.8124.4173.1-67.4-82.7000109.9L186 L190 L209 L212 V233 V291 S295 L298 F299 K311 V312 Y384L186-F293 HydrophobicContact CD2-CE1 3.99Å; L190-F293 HydrophobicContact CD1-CD1 3.86Å; L190-F293 HydrophobicContact CD1-CE1 4.24Å; L209-F293 HydrophobicContact CD2-CE2 4.4Å; L209-F293 HydrophobicContact CD2-CZ 4.02Å; L212-F293 HydrophobicContact CD2-CZ 4.48Å; V233-F293 HydrophobicContact CB-CD1 4.07Å; V233-F293 HydrophobicContact CB-CE1 4.24Å; V233-F293 HydrophobicContact CG2-CD1 3.71Å; V233-F293 HydrophobicContact CG2-CE1 3.54Å; V233-F293 HydrophobicContact CG2-CZ 4.23Å; V291-F293 HydrophobicContact CB-CE2 4.2Å; V291-F293 HydrophobicContact CG1-CD2 4.01Å; V291-F293 HydrophobicContact CG1-CE1 4.39Å; V291-F293 HydrophobicContact CG1-CE2 3.38Å; V291-F293 HydrophobicContact CG1-CZ 3.6Å; F293-S295 PolarHBondContact O-N 3.34Å; F293-L298 HydrophobicContact CE1-CD1 3.87Å; F293-L298 HydrophobicContact CZ-CD1 4.18Å; F293-F299 AromaticContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CZ 4.24Å; F293-F299 HydrophobicContact CE2-CE2 4.08Å; F293-F299 HydrophobicContact CE2-CZ 4.12Å; F293-F299 HydrophobicContact CG-CE2 4.24Å; F293-K311 VanDerWaalsContact O-CA 3.31Å; F293-K311 WeakPolarHBondContact O-CA 3.48Å; F293-V312 HydrophobicContact CB-CB 4.25Å; F293-V312 WeakPolarHBondContact CB-O 3.44Å; F293-V312 PolarHBondContact N-O 2.97Å; F293-V312 PolarHBondContact O-N 2.93Å; F293-Y384 HydrophobicContact CE2-CD1 4.49Å; F293-Y384 HydrophobicContact CE2-CE1 4.12Å
294S91.8Very high87.8Confident20 Ų2038.1 Ų38.114%0.1421%0.207CC..SBendtrans-93.834.4166.7-44.90000111.6R232 K311R232-S294 VanDerWaalsContact CD-O 3.26Å; R232-S294 WeakPolarHBondContact CD-O 3.48Å; R232-S294 PolarHBondContact NH1-O 3.47Å; R232-S294 VanDerWaalsContact NH1-O 3.09Å; R232-S294 PolarHBondContact O-N 3.13Å; S294-K311 WeakPolarHBondContact OG-CE 3.25Å; S294-K311 PolarHBondContact OG-NZ 3.46Å
295S90.7Very high88.8Confident4 Ų433.6 Ų33.63%0.02819%0.186CC..  trans-157.6138.5173-176.40000111.7F293 A297 E310F293-S295 PolarHBondContact O-N 3.34Å; S295-A297 PolarHBondContact OG-N 3.28Å; S295-E310 CarbonylContact C-O 3.46Å; S295-E310 WeakPolarHBondContact CA-O 3.46Å; S295-E310 WeakPolarHBondContact CA-OE2 3.49Å; S295-E310 PolarHBondContact N-O 3.19Å; S295-E310 VanDerWaalsContact N-O 3.13Å; S295-E310 PolarHBondContact OG-OE2 3.04Å
296Q90.9Very high89.5Confident21 Ų2136.4 Ų36.410%0.09819%0.187CC..  trans-93.614.1177.162.9167.828.500113.1L298 F299 Q300 S305 V307 E310 V312Q296-L298 PolarHBondContact O-N 2.98Å; Q296-L298 VanDerWaalsContact O-N 3.17Å; Q296-F299 CarbonylContact O-C 3.51Å; Q296-F299 PolarHBondContact O-N 2.83Å; Q296-Q300 VanDerWaalsContact NE2-NE2 3.2Å; Q296-Q300 PolarHBondContact O-NE2 3.34Å; Q296-S305 PolarHBondContact OE1-O 2.91Å; Q296-V307 VanDerWaalsContact OE1-CB 3.3Å; Q296-E310 HydrophobicContact CB-CB 4.3Å; Q296-E310 HydrophobicContact CG-CB 4.05Å; Q296-E310 HydrophobicContact CG-CG 3.96Å; Q296-E310 PolarHBondContact N-O 3.37Å; Q296-V312 HydrophobicContact CB-CG2 4.5Å
297A90.8Very high89.9Confident17 Ų1734 Ų3414%0.1418%0.177CC..THydrogen-bonded Turntrans-59.6-29.2-17500000113.6Y189 L190 P193 S295Y189-A297 HydrophobicContact CE1-CB 4.23Å; L190-A297 HydrophobicContact CD2-CB 3.93Å; P193-A297 HydrophobicContact CB-CB 4.16Å; P193-A297 HydrophobicContact CG-CB 4.31Å; S295-A297 PolarHBondContact OG-N 3.28Å
298L91.5Very high89.9Confident15 Ų1532.5 Ų32.58%0.07917%0.171CC..THydrogen-bonded Turntrans-85.3-17.9176.2-56.3176.8000113.1L186 Y189 L190 I205 L209 F293 Q296L186-L298 HydrophobicContact CD1-CD1 4.1Å; L186-L298 HydrophobicContact CD1-CD2 4.42Å; Y189-L298 HydrophobicContact CD1-CD2 4.28Å; Y189-L298 HydrophobicContact CE1-CD2 3.83Å; L190-L298 HydrophobicContact CD2-CD1 4.32Å; L190-L298 HydrophobicContact CD2-CG 4Å; I205-L298 HydrophobicContact CG1-CD2 4.41Å; I205-L298 HydrophobicContact CG2-CB 3.86Å; I205-L298 HydrophobicContact CG2-CD2 4.14Å; I205-L298 HydrophobicContact CG2-CG 4.5Å; L209-L298 HydrophobicContact CD2-CD1 4.09Å; F293-L298 HydrophobicContact CE1-CD1 3.87Å; F293-L298 HydrophobicContact CZ-CD1 4.18Å; Q296-L298 PolarHBondContact O-N 2.98Å; Q296-L298 VanDerWaalsContact O-N 3.17Å
299F92.1Very high89.7Confident0 Ų033.5 Ų33.50%018%0.182CC..  trans-117.259.2-168.9-56.1-81.4000110.9L209 F293 Q296 V312 W349 W361 Y384L209-F299 HydrophobicContact CD1-CE1 3.84Å; L209-F299 HydrophobicContact CD1-CZ 3.98Å; L209-F299 HydrophobicContact CD2-CZ 4.32Å; F293-F299 AromaticContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CZ 4.24Å; F293-F299 HydrophobicContact CE2-CE2 4.08Å; F293-F299 HydrophobicContact CE2-CZ 4.12Å; F293-F299 HydrophobicContact CG-CE2 4.24Å; Q296-F299 CarbonylContact O-C 3.51Å; Q296-F299 PolarHBondContact O-N 2.83Å; F299-V312 HydrophobicContact CB-CG2 4.39Å; F299-V312 HydrophobicContact CD1-CG1 4.29Å; F299-V312 HydrophobicContact CD2-CB 3.88Å; F299-V312 HydrophobicContact CD2-CG1 3.76Å; F299-V312 HydrophobicContact CD2-CG2 3.72Å; F299-V312 HydrophobicContact CE1-CG1 4.2Å; F299-V312 HydrophobicContact CE2-CB 3.92Å; F299-V312 HydrophobicContact CE2-CG1 3.65Å; F299-V312 HydrophobicContact CE2-CG2 4.29Å; F299-V312 HydrophobicContact CG-CG1 4.08Å; F299-V312 HydrophobicContact CG-CG2 4.2Å; F299-V312 HydrophobicContact CZ-CG1 3.88Å; F299-W349 HydrophobicContact CB-CD2 4.31Å; F299-W349 HydrophobicContact CB-CE3 4.08Å; F299-W349 HydrophobicContact CB-CH2 4.49Å; F299-W349 HydrophobicContact CB-CZ3 4.18Å; F299-W349 HydrophobicContact CD1-CB 4.14Å; F299-W349 AromaticContact CD1-CD1 3.77Å; F299-W349 AromaticContact CD1-CD2 3.7Å; F299-W349 HydrophobicContact CD1-CD2 3.7Å; F299-W349 AromaticContact CD1-CE2 3.91Å; F299-W349 HydrophobicContact CD1-CE3 4.27Å; F299-W349 AromaticContact CD1-CG 3.61Å; F299-W349 HydrophobicContact CD1-CG 3.61Å; F299-W349 AromaticContact CD1-NE1 3.92Å; F299-W349 HydrophobicContact CE1-CB 4.44Å; F299-W349 AromaticContact CE1-CD1 3.98Å; F299-W349 HydrophobicContact CE1-CG 4.11Å; F299-W361 HydrophobicContact CB-CH2 3.65Å; F299-W361 HydrophobicContact CB-CZ2 3.52Å; F299-W361 HydrophobicContact CD1-CH2 4.4Å; F299-W361 HydrophobicContact CG-CH2 4.16Å; F299-W361 HydrophobicContact CG-CZ2 4.49Å; F299-W361 WeakPolarHBondContact O-CZ2 3.27Å; F299-Y384 HydrophobicContact CE1-CD1 4.11Å; F299-Y384 HydrophobicContact CE1-CG 4.12Å; F299-Y384 AromaticContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CE1 4.26Å; F299-Y384 HydrophobicContact CZ-CG 4.26Å
300Q88.5Confident89.6Confident40 Ų4037.2 Ų37.219%0.18720%0.199CC..  trans-102112.3-178.9-68.7-66.2-42.400110.6Q296 S304Q296-Q300 VanDerWaalsContact NE2-NE2 3.2Å; Q296-Q300 PolarHBondContact O-NE2 3.34Å; Q300-S304 PolarHBondContact OE1-OG 2.79Å
301D87.8Confident89.4Confident20 Ų2037.4 Ų37.411%0.10720%0.2CC..  trans-78.4-177.7173.672.93.9000111.8N303 S304 S305 W349 G359D301-N303 PolarHBondContact O-N 2.87Å; D301-N303 PolarHBondContact OD1-N 2.73Å; D301-S304 PolarHBondContact O-N 3.4Å; D301-S304 WeakPolarHBondContact OD1-CA 3.18Å; D301-S304 PolarHBondContact OD1-N 3.41Å; D301-S305 PolarHBondContact OD1-N 2.95Å; D301-S305 PolarHBondContact OD1-OG 3.35Å; D301-S305 VanDerWaalsContact OD2-CB 3.31Å; D301-S305 WeakPolarHBondContact OD2-CB 3.28Å; D301-S305 PolarHBondContact OD2-OG 2.93Å; D301-W349 HydrophobicContact CB-CH2 4.5Å; D301-W349 HydrophobicContact CB-CZ3 4.3Å; D301-G359 WeakPolarHBondContact CA-O 3.26Å
302K83.1Confident89.4Confident161 Ų16137.1 Ų37.170%0.720%0.198SC*.THydrogen-bonded Turntrans-63.4-25.6-179.3-68.4-177.8-178.6175.40113.6T358K302-T358 VanDerWaalsContact CG-OG1 3.23Å; K302-T358 WeakPolarHBondContact CG-OG1 3.32Å
303N80.1Confident89.5Confident140 Ų14036.6 Ų36.675%0.74920%0.195SC*.THydrogen-bonded Turntrans-101.1-1.2-175.8-65.9-11.3000112.5D301 S305D301-N303 PolarHBondContact O-N 2.87Å; D301-N303 PolarHBondContact OD1-N 2.73Å; N303-S305 PolarHBondContact O-N 2.97Å
304S83Confident89.5Confident58 Ų5836.7 Ų36.741%0.40620%0.196SC..  trans49.846.7-169.7-78.60000112.3Q300 D301Q300-S304 PolarHBondContact OE1-OG 2.79Å; D301-S304 PolarHBondContact O-N 3.4Å; D301-S304 WeakPolarHBondContact OD1-CA 3.18Å; D301-S304 PolarHBondContact OD1-N 3.41Å
305S84.1Confident89.6Confident31 Ų3135.7 Ų35.722%0.21719%0.189CC..PPolyproline II helixtrans-56.5140.7178.7-51.80000110.9Q296 D301 N303Q296-S305 PolarHBondContact OE1-O 2.91Å; D301-S305 PolarHBondContact OD1-N 2.95Å; D301-S305 PolarHBondContact OD1-OG 3.35Å; D301-S305 VanDerWaalsContact OD2-CB 3.31Å; D301-S305 WeakPolarHBondContact OD2-CB 3.28Å; D301-S305 PolarHBondContact OD2-OG 2.93Å; N303-S305 PolarHBondContact O-N 2.97Å
306Q87.4Confident89.7Confident127 Ų12736.6 Ų36.659%0.59319%0.194SC*.PPolyproline II helixtrans-89.2130.3-175.4-66.1-176.9-11.600111.6L388 M389Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.28Å; Q306-M389 HydrophobicContact CB-CE 3.73Å; Q306-M389 PolarHBondContact O-N 2.89Å
307V91.2Very high89.6Confident3 Ų335.6 Ų35.62%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-96.6137.5172.21760000109.8Q296 G309 E310 K311 W361 A386 V387 L388Q296-V307 VanDerWaalsContact OE1-CB 3.3Å; V307-G309 PolarHBondContact O-N 3.31Å; V307-E310 PolarHBondContact O-N 3.47Å; V307-K311 WeakPolarHBondContact CG1-O 3.31Å; V307-W361 HydrophobicContact CG2-CH2 4.33Å; V307-W361 HydrophobicContact CG2-CZ2 3.72Å; V307-A386 HydrophobicContact CG1-CB 3.7Å; V307-A386 HydrophobicContact CG2-CB 4.03Å; V307-V387 WeakPolarHBondContact CA-O 3.06Å; V307-L388 HydrophobicContact CG2-CD1 4.23Å
308L90.8Very high89.3Confident2 Ų236.6 Ų36.61%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-55.5119178.4-17668.9000110.9V262 E310 K311 H335 Q338 L344 V387 M389V262-L308 HydrophobicContact CG2-CD2 4.13Å; V262-L308 HydrophobicContact CG2-CG 3.8Å; L308-E310 PolarHBondContact O-N 2.99Å; L308-E310 VanDerWaalsContact O-N 3.1Å; L308-K311 PolarHBondContact O-N 3.47Å; L308-K311 VanDerWaalsContact O-N 3.15Å; L308-H335 HydrophobicContact CD2-CB 3.9Å; L308-Q338 HydrophobicContact CD1-CG 4.02Å; L308-L344 HydrophobicContact CD1-CD2 4.14Å; L308-L344 HydrophobicContact CD2-CD1 4.13Å; L308-L344 HydrophobicContact CD2-CD2 4.29Å; L308-V387 HydrophobicContact CB-CB 4.06Å; L308-V387 HydrophobicContact CB-CG1 4.21Å; L308-V387 WeakPolarHBondContact CB-O 3.07Å; L308-V387 HydrophobicContact CD2-CB 4.2Å; L308-V387 HydrophobicContact CD2-CG1 3.99Å; L308-V387 PolarHBondContact N-O 3.27Å; L308-M389 HydrophobicContact CB-CG 4.12Å; L308-M389 HydrophobicContact CB-SD 4.5Å; L308-M389 HydrophobicContact CD1-CG 4.22Å; L308-M389 HydrophobicContact CD1-SD 3.87Å
309G87.6Confident88.7Confident21 Ų2142.2 Ų42.222%0.21622%0.222CC..EExtended strand (participates in β ladder)trans57.918.8-175.700000115.3E261 V307 K311E261-G309 WeakPolarHBondContact OE2-CA 3.29Å; E261-G309 PolarHBondContact OE2-N 3.03Å; V307-G309 PolarHBondContact O-N 3.31Å; G309-K311 PolarHBondContact O-N 3.43Å
310E91.2Very high88.2Confident80 Ų8043.6 Ų43.637%0.37423%0.23SC..EExtended strand (participates in β ladder)trans53.121.2-170.7-53.4-166.417600114.6S295 Q296 V307 L308 V312S295-E310 CarbonylContact C-O 3.46Å; S295-E310 WeakPolarHBondContact CA-O 3.46Å; S295-E310 WeakPolarHBondContact CA-OE2 3.49Å; S295-E310 PolarHBondContact N-O 3.19Å; S295-E310 VanDerWaalsContact N-O 3.13Å; S295-E310 PolarHBondContact OG-OE2 3.04Å; Q296-E310 HydrophobicContact CB-CB 4.3Å; Q296-E310 HydrophobicContact CG-CB 4.05Å; Q296-E310 HydrophobicContact CG-CG 3.96Å; Q296-E310 PolarHBondContact N-O 3.37Å; V307-E310 PolarHBondContact O-N 3.47Å; L308-E310 PolarHBondContact O-N 2.99Å; L308-E310 VanDerWaalsContact O-N 3.1Å; E310-V312 PolarHBondContact O-N 3.27Å
311K92.3Very high87.9Confident7 Ų750.7 Ų50.73%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-79.9119.2-174.5-85.9-70.5-167.2-1760112.2E256 V262 D292 F293 S294 V307 L308 G309E256-K311 WeakPolarHBondContact OE1-CE 3.23Å; E256-K311 IonicContact OE1-NZ 3.19Å; E256-K311 PolarHBondContact OE1-NZ 2.85Å; V262-K311 HydrophobicContact CB-CG 4.05Å; V262-K311 HydrophobicContact CG1-CG 4.12Å; V262-K311 HydrophobicContact CG2-CB 4.44Å; V262-K311 HydrophobicContact CG2-CG 4.17Å; D292-K311 WeakPolarHBondContact OD1-CD 3.29Å; D292-K311 IonicContact OD1-NZ 3.37Å; D292-K311 PolarHBondContact OD1-NZ 3.4Å; D292-K311 IonicContact OD2-NZ 3.59Å; D292-K311 PolarHBondContact OD2-NZ 3.49Å; F293-K311 VanDerWaalsContact O-CA 3.31Å; F293-K311 WeakPolarHBondContact O-CA 3.48Å; S294-K311 WeakPolarHBondContact OG-CE 3.25Å; S294-K311 PolarHBondContact OG-NZ 3.46Å; V307-K311 WeakPolarHBondContact CG1-O 3.31Å; L308-K311 PolarHBondContact O-N 3.47Å; L308-K311 VanDerWaalsContact O-N 3.15Å; G309-K311 PolarHBondContact O-N 3.43Å
312V94.9Very high87.7Confident0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-124.8122.8173.4-1730000109.5F293 Q296 F299 E310 W361 F385 A386F293-V312 HydrophobicContact CB-CB 4.25Å; F293-V312 WeakPolarHBondContact CB-O 3.44Å; F293-V312 PolarHBondContact N-O 2.97Å; F293-V312 PolarHBondContact O-N 2.93Å; Q296-V312 HydrophobicContact CB-CG2 4.5Å; F299-V312 HydrophobicContact CB-CG2 4.39Å; F299-V312 HydrophobicContact CD1-CG1 4.29Å; F299-V312 HydrophobicContact CD2-CB 3.88Å; F299-V312 HydrophobicContact CD2-CG1 3.76Å; F299-V312 HydrophobicContact CD2-CG2 3.72Å; F299-V312 HydrophobicContact CE1-CG1 4.2Å; F299-V312 HydrophobicContact CE2-CB 3.92Å; F299-V312 HydrophobicContact CE2-CG1 3.65Å; F299-V312 HydrophobicContact CE2-CG2 4.29Å; F299-V312 HydrophobicContact CG-CG1 4.08Å; F299-V312 HydrophobicContact CG-CG2 4.2Å; F299-V312 HydrophobicContact CZ-CG1 3.88Å; E310-V312 PolarHBondContact O-N 3.27Å; V312-W361 HydrophobicContact CG1-CH2 4.23Å; V312-W361 HydrophobicContact CG2-CH2 4.08Å; V312-F385 CarbonylContact C-O 3.47Å; V312-F385 WeakPolarHBondContact CA-O 3.28Å; V312-A386 HydrophobicContact CG2-CB 4.36Å
313L95.1Very high87.8Confident2 Ų246 Ų461%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-115.6107.3-173.2-163.259.1000111Y265 L267 V290 D292 L331 F333 Y384 F385Y265-L313 HydrophobicContact CD2-CD2 3.69Å; Y265-L313 HydrophobicContact CE1-CD1 4.45Å; Y265-L313 HydrophobicContact CE2-CD1 4.15Å; Y265-L313 HydrophobicContact CE2-CD2 3.81Å; Y265-L313 HydrophobicContact CG-CD2 4.16Å; L267-L313 HydrophobicContact CD1-CD2 3.96Å; L267-L313 HydrophobicContact CD2-CD2 3.4Å; L267-L313 HydrophobicContact CG-CD2 4.11Å; V290-L313 HydrophobicContact CG1-CD1 3.77Å; V290-L313 HydrophobicContact CG1-CG 4.38Å; D292-L313 HydrophobicContact CB-CD1 3.62Å; L313-L331 HydrophobicContact CD2-CD2 4.24Å; L313-F333 HydrophobicContact CD2-CE1 4.37Å; L313-F333 HydrophobicContact CD2-CZ 4.45Å; L313-Y384 WeakPolarHBondContact O-CA 3.23Å; L313-F385 PolarHBondContact N-O 3.06Å; L313-F385 PolarHBondContact O-N 3.14Å
314G94.4Very high88.2Confident1 Ų145.7 Ų45.71%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-83.8122.7174.300000111.7V290 V291V290-G314 CarbonylContact C-O 3.43Å; V290-G314 VanDerWaalsContact CA-O 3.28Å; V290-G314 WeakPolarHBondContact CA-O 3.49Å; V291-G314 PolarHBondContact N-O 3.18Å; V291-G314 PolarHBondContact O-N 3.47Å
315I94.1Very high88.3Confident0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-121119.7172.6-55.3162.9000108.6L267 L269 L288 L289 V329 L331 L382 T383 F385L267-I315 HydrophobicContact CD1-CD1 4.15Å; L267-I315 HydrophobicContact CD1-CG1 4.36Å; L267-I315 HydrophobicContact CD2-CD1 4.2Å; L269-I315 HydrophobicContact CD1-CG2 4.37Å; L269-I315 HydrophobicContact CD2-CD1 4.27Å; L269-I315 HydrophobicContact CD2-CG2 4.01Å; L288-I315 HydrophobicContact CD1-CG2 4.01Å; L289-I315 WeakPolarHBondContact O-CA 3.41Å; I315-V329 HydrophobicContact CD1-CG1 4.42Å; I315-L331 HydrophobicContact CD1-CD2 3.99Å; I315-L331 HydrophobicContact CD1-CG 4.44Å; I315-L382 HydrophobicContact CB-CD2 4.19Å; I315-L382 HydrophobicContact CG2-CD1 4.42Å; I315-L382 HydrophobicContact CG2-CD2 3.81Å; I315-T383 PolarHBondContact N-O 3Å; I315-F385 HydrophobicContact CD1-CD2 4.17Å; I315-F385 HydrophobicContact CD1-CE2 4.28Å
316V92.1Very high88.5Confident22 Ų2248.2 Ų48.213%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-136.6138.5-177.6-172.30000111.5E213 L289E213-V316 HydrophobicContact CG-CG1 4.23Å; E213-V316 VanDerWaalsContact OE1-CG1 3.32Å; E213-V316 WeakPolarHBondContact OE1-CG1 3.34Å; L289-V316 HydrophobicContact CB-CB 4.33Å; L289-V316 PolarHBondContact N-O 2.92Å; L289-V316 PolarHBondContact O-N 3.23Å
317V89Confident88.6Confident1 Ų146.2 Ų46.21%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-106.3128.2169.9178.60000108.6V273 T277 L288 N319 T320 L382V273-V317 HydrophobicContact CG1-CG2 3.69Å; T277-V317 HydrophobicContact CG2-CG1 3.57Å; L288-V317 HydrophobicContact CD1-CG2 3.98Å; V317-N319 PolarHBondContact O-N 3.01Å; V317-N319 VanDerWaalsContact O-N 3.11Å; V317-T320 PolarHBondContact O-N 3.31Å; V317-L382 HydrophobicContact CG2-CD1 3.81Å
318Q85.8Confident88.8Confident37 Ų3748.2 Ų48.217%0.17327%0.266CS..THydrogen-bonded Turntrans-46.9117.7-172-178.2178.316.100113.1T217 K286 R287 T320T217-Q318 HydrophobicContact CG2-CB 3.96Å; T217-Q318 HydrophobicContact CG2-CG 3.77Å; K286-Q318 PolarHBondContact NZ-O 3.44Å; R287-Q318 HydrophobicContact CB-CB 4.29Å; R287-Q318 WeakPolarHBondContact O-CB 3.09Å; R287-Q318 PolarHBondContact O-N 2.9Å; Q318-T320 PolarHBondContact O-N 3.37Å; Q318-T320 PolarHBondContact O-OG1 3.39Å
319N78Confident88.9Confident133 Ų13348.1 Ų48.171%0.71127%0.266SS*.THydrogen-bonded Turntrans53.233.6177.9-59.3-28000113.6V317V317-N319 PolarHBondContact O-N 3.01Å; V317-N319 VanDerWaalsContact O-N 3.11Å
320T82Confident89.3Confident30 Ų3048.8 Ų48.818%0.18427%0.266CS..BIsolated β-bridgetrans-133.8117.1-177.2-48.60000110.5T277 V317 Q318 V322T277-T320 HydrophobicContact CG2-CG2 4.23Å; V317-T320 PolarHBondContact O-N 3.31Å; Q318-T320 PolarHBondContact O-N 3.37Å; Q318-T320 PolarHBondContact O-OG1 3.39Å; T320-V322 HydrophobicContact CG2-CG2 3.89Å
321K83.1Confident89.6Confident189 Ų18945 Ų4582%0.82225%0.248SC*.  trans-88.1113.3170.2-168.6174.4-177.2174.40108.6T323K321-T323 HydrophobicContact CG-CG2 4.23Å
322V83Confident89.7Confident6 Ų645.7 Ų45.74%0.03625%0.253CS..  trans-103.1121.7-178.9-177.30000108.8V273 T320 L325 H381 L382V273-V322 HydrophobicContact CG2-CG1 4.39Å; T320-V322 HydrophobicContact CG2-CG2 3.89Å; V322-L325 HydrophobicContact CG1-CD1 3.81Å; V322-L325 HydrophobicContact CG1-CD2 3.59Å; V322-L325 HydrophobicContact CG1-CG 3.71Å; V322-H381 VanDerWaalsContact O-CA 3.23Å; V322-H381 WeakPolarHBondContact O-CA 3.26Å; V322-H381 VanDerWaalsContact O-CB 3.27Å; V322-H381 WeakPolarHBondContact O-CB 3.4Å; V322-L382 HydrophobicContact CB-CB 4.4Å; V322-L382 HydrophobicContact CB-CD1 4.04Å; V322-L382 HydrophobicContact CB-CG 4.11Å; V322-L382 HydrophobicContact CG1-CG 4.47Å; V322-L382 HydrophobicContact CG2-CD1 3.99Å; V322-L382 PolarHBondContact O-N 3.01Å
323T86Confident89.7Confident75 Ų7546 Ų4646%0.4625%0.254SS..  trans-146.9155.5-177.956.60000110.2K321 L325 N380 H381K321-T323 HydrophobicContact CG-CG2 4.23Å; T323-L325 PolarHBondContact O-N 3.36Å; T323-N380 CarbonylContact C-O 3.57Å; T323-H381 HydrophobicContact CG2-CB 4.23Å
324N86.7Confident89.6Confident134 Ų13448.5 Ų48.572%0.71727%0.266SS*.SBendtrans56.843.1179.5-65.2-16.2000113.7N380N324-N380 PolarHBondContact N-O 3.23Å
325L86.3Confident89.4Confident22 Ų2248.7 Ų48.712%0.11527%0.267CS..  trans-63135.8171.8-68.2167.7000110.9A272 V273 V322 T323 D327 V329 N380A272-L325 HydrophobicContact CB-CD2 3.99Å; V273-L325 HydrophobicContact CG2-CD1 3.8Å; V273-L325 HydrophobicContact CG2-CD2 4.1Å; V322-L325 HydrophobicContact CG1-CD1 3.81Å; V322-L325 HydrophobicContact CG1-CD2 3.59Å; V322-L325 HydrophobicContact CG1-CG 3.71Å; T323-L325 PolarHBondContact O-N 3.36Å; L325-D327 VanDerWaalsContact CB-O 3.28Å; L325-D327 WeakPolarHBondContact CB-O 3.22Å; L325-V329 HydrophobicContact CD1-CG2 3.72Å; L325-N380 PolarHBondContact N-O 3.38Å
326S87.5Confident89Confident120 Ų12052.1 Ų52.184%0.83928%0.283SS*.SBendtrans-70.3-46.2174.2-52.60000111.5
327D90.8Very high88.7Confident85 Ų8555.5 Ų55.546%0.45531%0.305SS..SBendtrans-95.2123.2169.6-60.7-40.8000108P270 L325P270-D327 HydrophobicContact CB-CB 3.99Å; P270-D327 HydrophobicContact CG-CB 4.1Å; P270-D327 WeakPolarHBondContact CG-O 3.5Å; L325-D327 VanDerWaalsContact CB-O 3.28Å; L325-D327 WeakPolarHBondContact CB-O 3.22Å
328P93.3Very high88.2Confident45 Ų4557.6 Ų57.629%0.29232%0.315SS..PPolyproline II helixtrans-74.7151.6-176.230.2-34.6000111.9P270 L378 C379P270-P328 VanDerWaalsContact CG-O 3.27Å; P270-P328 WeakPolarHBondContact CG-O 3.27Å; P328-L378 HydrophobicContact CB-CB 4.08Å; P328-L378 HydrophobicContact CG-CB 4.13Å; P328-L378 HydrophobicContact CG-CD2 4.15Å; P328-C379 CarbonylContact C-O 3.52Å; P328-C379 WeakPolarHBondContact CA-O 3.15Å
329V94.1Very high87.6Confident0 Ų059.2 Ų59.20%033%0.329CS..EExtended strand (participates in β ladder)trans-69.8127.1163.8171.90000108.1L268 L269 V273 I315 L325 L331 L378 C379 L382L268-V329 WeakPolarHBondContact O-CA 3.46Å; L269-V329 HydrophobicContact CD2-CG1 3.68Å; L269-V329 HydrophobicContact CD2-CG2 4.12Å; V273-V329 HydrophobicContact CG2-CG2 4.11Å; I315-V329 HydrophobicContact CD1-CG1 4.42Å; L325-V329 HydrophobicContact CD1-CG2 3.72Å; V329-L331 HydrophobicContact CG1-CD1 3.97Å; V329-L331 HydrophobicContact CG1-CG 4.48Å; V329-L378 WeakPolarHBondContact O-CA 3.49Å; V329-C379 PolarHBondContact N-O 3.48Å; V329-C379 PolarHBondContact O-N 3.28Å; V329-L382 HydrophobicContact CB-CD2 4.41Å; V329-L382 HydrophobicContact CG1-CD2 4.28Å; V329-L382 HydrophobicContact CG2-CD2 3.64Å
330V96.1Very high87.3Confident35 Ų3562.8 Ų62.821%0.21234%0.338CS..EExtended strand (participates in β ladder)trans-108.1119-179.3-171.30000109.5L267 L268 C377 L378L267-V330 WeakPolarHBondContact CA-O 3.41Å; L268-V330 HydrophobicContact CB-CB 4.12Å; L268-V330 PolarHBondContact N-O 3.36Å; L268-V330 PolarHBondContact O-N 3.08Å; V330-C377 CarbonylContact C-O 3.44Å; V330-C377 VanDerWaalsContact CA-O 3.32Å; V330-C377 WeakPolarHBondContact CA-O 3.35Å; V330-L378 HydrophobicContact CG2-CG 4.29Å
331L96.2Very high86.7Confident0 Ų065.1 Ų65.10%035%0.349CS..EExtended strand (participates in β ladder)trans-108.8121.2172.1-50.687.4000108.6S266 L267 L313 I315 V329 F333 S376 C377 F385S266-L331 WeakPolarHBondContact O-CA 3.38Å; L267-L331 HydrophobicContact CD2-CB 3.94Å; L267-L331 HydrophobicContact CD2-CD2 3.81Å; L267-L331 HydrophobicContact CD2-CG 3.73Å; L313-L331 HydrophobicContact CD2-CD2 4.24Å; I315-L331 HydrophobicContact CD1-CD2 3.99Å; I315-L331 HydrophobicContact CD1-CG 4.44Å; V329-L331 HydrophobicContact CG1-CD1 3.97Å; V329-L331 HydrophobicContact CG1-CG 4.48Å; L331-F333 HydrophobicContact CB-CE2 3.83Å; L331-F333 HydrophobicContact CB-CZ 4.16Å; L331-F333 HydrophobicContact CD2-CZ 4.21Å; L331-S376 CarbonylContact O-C 3.58Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.28Å; L331-C377 HydrophobicContact CB-CB 4.17Å; L331-C377 HydrophobicContact CD1-CB 4.09Å; L331-C377 PolarHBondContact N-O 3.07Å; L331-C377 PolarHBondContact O-N 3.19Å; L331-F385 HydrophobicContact CD1-CD2 4.24Å; L331-F385 HydrophobicContact CD1-CG 4.26Å; L331-F385 HydrophobicContact CD2-CB 3.69Å; L331-F385 HydrophobicContact CD2-CD2 3.73Å; L331-F385 HydrophobicContact CD2-CG 3.87Å
332T95.6Very high86.4Confident23 Ų2357.7 Ų57.714%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-115.6122.4179.7-61.50000109.2Y265 S266 Q374 T375 S376Y265-T332 CarbonylContact C-O 3.57Å; Y265-T332 WeakPolarHBondContact CA-O 3.49Å; S266-T332 PolarHBondContact N-O 3.08Å; S266-T332 PolarHBondContact O-N 3.01Å; T332-Q374 HydrophobicContact CG2-CG 3.66Å; T332-T375 WeakPolarHBondContact CA-O 3.27Å; T332-S376 PolarHBondContact OG1-OG 2.73Å
333F94.1Very high86.5Confident5 Ų560.8 Ų60.82%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-109.4123.5178.1-59.5-83.2000109.7V262 L313 L331 H335 Q374 T375 V387V262-F333 HydrophobicContact CG1-CD1 4.45Å; L313-F333 HydrophobicContact CD2-CE1 4.37Å; L313-F333 HydrophobicContact CD2-CZ 4.45Å; L331-F333 HydrophobicContact CB-CE2 3.83Å; L331-F333 HydrophobicContact CB-CZ 4.16Å; L331-F333 HydrophobicContact CD2-CZ 4.21Å; F333-H335 PolarHBondContact O-CD2 3.13Å; F333-Q374 WeakPolarHBondContact O-CA 3.27Å; F333-T375 PolarHBondContact N-O 3.25Å; F333-T375 PolarHBondContact O-N 2.92Å; F333-V387 HydrophobicContact CD2-CG2 3.42Å; F333-V387 VanDerWaalsContact CD2-CG2 3.42Å; F333-V387 HydrophobicContact CE2-CG2 3.68Å; F333-V387 HydrophobicContact CG-CG2 4.17Å
334Q92.8Very high86.7Confident56 Ų5657.9 Ų57.926%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-86.7126.4168.9-65.686.8-6.400108.7Q263 A264Q263-Q334 PolarHBondContact N-O 3.32Å; A264-Q334 HydrophobicContact CB-CB 4.43Å; A264-Q334 PolarHBondContact O-N 3.46Å; A264-Q334 PolarHBondContact O-OE1 3.42Å
335H90.5Very high86.9Confident4 Ų455 Ų552%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-142.8161.9-175.858.977.6000111.6E261 L308 F333 L344 T373 Q374 T375E261-H335 CarbonylContact O-C 3.5Å; E261-H335 WeakPolarHBondContact O-CA 3.33Å; E261-H335 WeakPolarHBondContact O-CB 3.5Å; L308-H335 HydrophobicContact CD2-CB 3.9Å; F333-H335 PolarHBondContact O-CD2 3.13Å; H335-L344 VanDerWaalsContact CE1-CD1 3.45Å; H335-L344 WeakPolarHBondContact CE1-CD1 3.19Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.42Å; H335-T373 PolarHBondContact N-O 3.11Å; H335-T373 VanDerWaalsContact N-O 3.13Å; H335-T373 CarbonylContact O-C 3.55Å; H335-T373 WeakPolarHBondContact O-CA 3.4Å; H335-Q374 PolarHBondContact NE2-N 3.47Å; H335-T375 PolarHBondContact NE2-N 2.86Å; H335-T375 PolarHBondContact NE2-OG1 2.91Å
336Q86.8Confident87.3Confident72 Ų7254 Ų5434%0.33630%0.297SS..PPolyproline II helixtrans-64.9150.2170.1-64.3-173.212.300110.5E258 E261 Q338E258-Q336 PolarHBondContact O-NE2 3.35Å; E261-Q336 PolarHBondContact O-N 2.86Å; Q336-Q338 PolarHBondContact O-N 3Å; Q336-Q338 PolarHBondContact O-NE2 3.32Å; Q336-Q338 VanDerWaalsContact O-NE2 3.14Å
337P84.2Confident87.7Confident94 Ų9448.5 Ų48.561%0.6126%0.259SS*.PPolyproline II helixtrans-61125.217924.3-32.6000111.2D372P337-D372 VanDerWaalsContact CA-O 3.3Å; P337-D372 WeakPolarHBondContact CA-O 3.18Å
338Q79.9Confident87.9Confident44 Ų4445.7 Ų45.721%0.20624%0.242CC..PPolyproline II helixtrans-85.1149.5-178.3-63.4-59.2-43.700110.8L308 Q336 L344L308-Q338 HydrophobicContact CD1-CG 4.02Å; Q336-Q338 PolarHBondContact O-N 3Å; Q336-Q338 PolarHBondContact O-NE2 3.32Å; Q336-Q338 VanDerWaalsContact O-NE2 3.14Å; Q338-L344 HydrophobicContact CG-CD1 4.11Å; Q338-L344 HydrophobicContact CG-CD2 4.23Å; Q338-L344 HydrophobicContact CG-CG 4.49Å
339P73Confident87.9Confident72 Ų7244.5 Ų44.547%0.46823%0.232SC..PPolyproline II helixtrans-64.7147.9179.327.8-33.6000110.7N341 V342P339-N341 WeakPolarHBondContact CB-OD1 3.46Å; P339-N341 WeakPolarHBondContact CG-OD1 3.41Å; P339-N341 PolarHBondContact O-N 3.35Å; P339-N341 PolarHBondContact O-OD1 3.04Å; P339-V342 HydrophobicContact CG-CG2 4.14Å; P339-V342 PolarHBondContact O-N 3.02Å
340K70.8Confident87.8Confident207 Ų20747 Ų4790%0.925%0.247SC*.THydrogen-bonded Turntrans-58.3-16.9-170.4-66.1-174.8177.2-176.70115V342 S392K340-V342 VanDerWaalsContact C-N 3.3Å; K340-S392 PolarHBondContact O-OG 3.42Å
341N69.3Low87.4Confident79 Ų7948.7 Ų48.742%0.42225%0.253SS..THydrogen-bonded Turntrans-86.97.1177.164.7-33.6000113.7P339 S391 S392P339-N341 WeakPolarHBondContact CB-OD1 3.46Å; P339-N341 WeakPolarHBondContact CG-OD1 3.41Å; P339-N341 PolarHBondContact O-N 3.35Å; P339-N341 PolarHBondContact O-OD1 3.04Å; N341-S391 CarbonylContact O-C 3.48Å; N341-S391 WeakPolarHBondContact O-CA 2.96Å; N341-S392 WeakPolarHBondContact CA-OG 3.46Å; N341-S392 PolarHBondContact O-N 3.36Å; N341-S392 PolarHBondContact O-OG 3.39Å; N341-S392 VanDerWaalsContact O-OG 3.12Å
342V78.2Confident86.7Confident33 Ų3353.1 Ų53.120%0.228%0.277CS..EExtended strand (participates in β ladder)trans-121.8121.4176.1178.20000109P339 K340 L344 M389 S392P339-V342 HydrophobicContact CG-CG2 4.14Å; P339-V342 PolarHBondContact O-N 3.02Å; K340-V342 VanDerWaalsContact C-N 3.3Å; V342-L344 HydrophobicContact CG1-CD2 4.22Å; V342-M389 HydrophobicContact CG1-CB 3.71Å; V342-M389 HydrophobicContact CG1-CG 4.03Å; V342-S392 PolarHBondContact N-OG 2.94Å
343T84.1Confident85.8Confident71 Ų7158.3 Ų58.344%0.43631%0.311SS..EExtended strand (participates in β ladder)trans-97.1130.2168.143.80000109.6V390T343-V390 PolarHBondContact N-O 3.31Å; T343-V390 PolarHBondContact O-N 3.26Å; T343-V390 VanDerWaalsContact O-O 3.13Å; T343-V390 PolarHBondContact OG1-O 3.13Å
344L90.4Very high84.8Confident15 Ų1562.6 Ų62.68%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-87.5129.4176.8-60.7179.4000109.6L308 H335 Q338 V342 T368 T375 V387 M389L308-L344 HydrophobicContact CD1-CD2 4.14Å; L308-L344 HydrophobicContact CD2-CD1 4.13Å; L308-L344 HydrophobicContact CD2-CD2 4.29Å; H335-L344 VanDerWaalsContact CE1-CD1 3.45Å; H335-L344 WeakPolarHBondContact CE1-CD1 3.19Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.42Å; Q338-L344 HydrophobicContact CG-CD1 4.11Å; Q338-L344 HydrophobicContact CG-CD2 4.23Å; Q338-L344 HydrophobicContact CG-CG 4.49Å; V342-L344 HydrophobicContact CG1-CD2 4.22Å; L344-T368 WeakPolarHBondContact O-CG2 3.39Å; L344-T375 HydrophobicContact CB-CG2 4.41Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.46Å; L344-V387 HydrophobicContact CB-CG1 3.77Å; L344-V387 HydrophobicContact CD2-CG1 4.06Å; L344-V387 HydrophobicContact CG-CG1 4.32Å; L344-M389 HydrophobicContact CD2-CG 3.83Å
345Q91.8Very high83.6Confident73 Ų7361.7 Ų61.734%0.34135%0.347SS..EExtended strand (participates in β ladder)trans-128.6124.3179.3-172.9172.824.500110.6V347 S363 V387 L388 V390Q345-V347 HydrophobicContact CG-CG1 4.24Å; Q345-V347 PolarHBondContact O-N 3.2Å; Q345-S363 PolarHBondContact NE2-OG 3.32Å; Q345-V387 CarbonylContact O-C 3.55Å; Q345-L388 PolarHBondContact N-O 3.33Å; Q345-L388 PolarHBondContact O-N 2.83Å; Q345-V390 HydrophobicContact CB-CG2 4.03Å
346C94.6Very high82.7Confident1 Ų166.7 Ų66.71%0.00738%0.382CS..EExtended strand (participates in β ladder)trans-70.3127.3172.3-62.90000110.5T368 C377C346-T368 HydrophobicContact CB-CG2 4.36Å; C346-T368 VanDerWaalsContact CB-OG1 3.26Å; C346-T368 WeakPolarHBondContact CB-OG1 3.44Å; C346-T368 PolarHBondContact N-OG1 3.37Å; C346-C377 HydrophobicContact CB-CB 3.5Å; C346-C377 WeakPolarHBondContact CB-SG 3.43Å; C346-C377 WeakPolarHBondContact SG-CA 3.44Å; C346-C377 WeakPolarHBondContact SG-CB 3.38Å; C346-C377 CovalentContact SG-SG 2.02Å; C346-C377 PolarHBondContact SG-SG 3.23Å
347V95.4Very high82.2Confident5 Ų565.9 Ų65.93%0.0339%0.385CS..EExtended strand (participates in β ladder)trans-137.7163.5-178.2-640000110.6Q345 W361 S362 F385 A386 L388Q345-V347 HydrophobicContact CG-CG1 4.24Å; Q345-V347 PolarHBondContact O-N 3.2Å; V347-W361 HydrophobicContact CB-CB 4.01Å; V347-W361 HydrophobicContact CB-CE3 4.27Å; V347-W361 HydrophobicContact CG1-CB 4.29Å; V347-W361 HydrophobicContact CG2-CB 3.99Å; V347-W361 HydrophobicContact CG2-CD2 3.88Å; V347-W361 HydrophobicContact CG2-CE3 3.57Å; V347-W361 HydrophobicContact CG2-CG 4.09Å; V347-W361 HydrophobicContact CG2-CZ3 4.34Å; V347-S362 CarbonylContact C-O 3.58Å; V347-S362 WeakPolarHBondContact CA-O 3.33Å; V347-S362 WeakPolarHBondContact CB-O 3.22Å; V347-F385 WeakPolarHBondContact O-CA 3.22Å; V347-A386 HydrophobicContact CG2-CB 4.11Å; V347-A386 WeakPolarHBondContact CG2-O 3.44Å; V347-A386 PolarHBondContact N-O 3.2Å; V347-A386 PolarHBondContact O-N 3.29Å; V347-A386 VanDerWaalsContact O-O 3.09Å; V347-L388 HydrophobicContact CG1-CB 4.08Å; V347-L388 HydrophobicContact CG1-CD2 4.44Å; V347-L388 HydrophobicContact CG2-CB 3.83Å
348F94.9Very high82.1Confident25 Ų2564.2 Ų64.211%0.1137%0.373CS..EExtended strand (participates in β ladder)trans-129.6154.9169.871-79.7000111.1V350 S362 A364 H381 T383 Y384 F385F348-V350 HydrophobicContact CD2-CG2 3.72Å; F348-V350 HydrophobicContact CE2-CG2 3.21Å; F348-V350 HydrophobicContact CZ-CG2 3.71Å; F348-S362 WeakPolarHBondContact CD1-O 3.45Å; F348-S362 WeakPolarHBondContact CE1-O 3.26Å; F348-S362 PolarHBondContact N-O 2.9Å; F348-S362 PolarHBondContact O-N 3.05Å; F348-A364 HydrophobicContact CE1-CB 4.19Å; F348-A364 WeakPolarHBondContact CE1-O 3.21Å; F348-A364 HydrophobicContact CZ-CB 4.42Å; F348-H381 AromaticContact CD1-CE1 3.83Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.33Å; F348-H381 AromaticContact CD2-NE2 3.71Å; F348-H381 AromaticContact CE1-CE1 3.78Å; F348-H381 AromaticContact CE1-NE2 3.62Å; F348-H381 AromaticContact CE2-NE2 3.85Å; F348-H381 AromaticContact CG-NE2 3.46Å; F348-H381 WeakPolarHBondContact CG-NE2 2.96Å; F348-H381 AromaticContact CZ-NE2 3.83Å; F348-T383 WeakPolarHBondContact CB-OG1 3.34Å; F348-T383 HydrophobicContact CD2-CG2 4.05Å; F348-Y384 CarbonylContact C-O 3.55Å; F348-Y384 WeakPolarHBondContact CA-O 3.45Å; F348-Y384 WeakPolarHBondContact CB-O 3.24Å; F348-F385 HydrophobicContact CB-CD1 3.7Å; F348-F385 HydrophobicContact CB-CE1 3.83Å
349W94.2Very high82.4Confident20 Ų2062.5 Ų62.58%0.07637%0.367CS..EExtended strand (participates in β ladder)trans-79.8125.5-178.1-170.8-112.2000111.3F299 D301 E351 G359 W361 Y384F299-W349 HydrophobicContact CB-CD2 4.31Å; F299-W349 HydrophobicContact CB-CE3 4.08Å; F299-W349 HydrophobicContact CB-CH2 4.49Å; F299-W349 HydrophobicContact CB-CZ3 4.18Å; F299-W349 HydrophobicContact CD1-CB 4.14Å; F299-W349 AromaticContact CD1-CD1 3.77Å; F299-W349 AromaticContact CD1-CD2 3.7Å; F299-W349 HydrophobicContact CD1-CD2 3.7Å; F299-W349 AromaticContact CD1-CE2 3.91Å; F299-W349 HydrophobicContact CD1-CE3 4.27Å; F299-W349 AromaticContact CD1-CG 3.61Å; F299-W349 HydrophobicContact CD1-CG 3.61Å; F299-W349 AromaticContact CD1-NE1 3.92Å; F299-W349 HydrophobicContact CE1-CB 4.44Å; F299-W349 AromaticContact CE1-CD1 3.98Å; F299-W349 HydrophobicContact CE1-CG 4.11Å; D301-W349 HydrophobicContact CB-CH2 4.5Å; D301-W349 HydrophobicContact CB-CZ3 4.3Å; W349-E351 VanDerWaalsContact CD1-OE1 3.3Å; W349-E351 VanDerWaalsContact NE1-CG 3.32Å; W349-E351 PolarHBondContact NE1-OE1 3Å; W349-G359 VanDerWaalsContact CZ2-CA 3.49Å; W349-W361 HydrophobicContact CB-CE3 4.26Å; W349-W361 HydrophobicContact CB-CH2 4.39Å; W349-W361 HydrophobicContact CB-CZ3 3.79Å; W349-W361 HydrophobicContact CD2-CH2 4.48Å; W349-W361 HydrophobicContact CD2-CZ3 4.47Å; W349-W361 AromaticContact CE3-CD2 3.68Å; W349-W361 HydrophobicContact CE3-CD2 3.68Å; W349-W361 AromaticContact CE3-CE2 3.59Å; W349-W361 AromaticContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CG 4.38Å; W349-W361 AromaticContact CE3-CH2 3.76Å; W349-W361 HydrophobicContact CE3-CH2 3.76Å; W349-W361 AromaticContact CE3-CZ2 3.65Å; W349-W361 HydrophobicContact CE3-CZ2 3.65Å; W349-W361 AromaticContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CZ3-CD2 4.07Å; W349-W361 AromaticContact CZ3-CE2 3.68Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CH2 4.47Å; W349-W361 AromaticContact CZ3-CZ2 3.92Å; W349-W361 HydrophobicContact CZ3-CZ2 3.92Å; W349-W361 AromaticContact CZ3-NE1 3.85Å; W349-Y384 PolarHBondContact N-O 2.81Å
350V91.4Very high83.2Confident53 Ų5362.1 Ų62.132%0.32137%0.366SS..EExtended strand (participates in β ladder)trans-117.4130.6177-178.20000109.8F348 G359 S360F348-V350 HydrophobicContact CD2-CG2 3.72Å; F348-V350 HydrophobicContact CE2-CG2 3.21Å; F348-V350 HydrophobicContact CZ-CG2 3.71Å; V350-G359 CarbonylContact O-C 3.48Å; V350-G359 VanDerWaalsContact O-CA 3.22Å; V350-G359 WeakPolarHBondContact O-CA 3.48Å; V350-S360 PolarHBondContact N-O 2.75Å; V350-S360 PolarHBondContact O-N 3.01Å
351E86.9Confident84.2Confident70 Ų7053.6 Ų53.633%0.32733%0.328SS..  trans-116.9133.6172.7-62.4178.6-161.300109.1S206 W349 P353S206-E351 WeakPolarHBondContact CB-OE2 3.3Å; S206-E351 PolarHBondContact OG-OE2 2.94Å; W349-E351 VanDerWaalsContact CD1-OE1 3.3Å; W349-E351 VanDerWaalsContact NE1-CG 3.32Å; W349-E351 PolarHBondContact NE1-OE1 3Å; E351-P353 WeakPolarHBondContact O-CD 2.98Å
352D81.9Confident85.3Confident94 Ų9451.5 Ų51.550%0.50332%0.319SS..  trans-88.6110.2171.1178.2-0.9000108.8A354 S355D352-A354 PolarHBondContact O-N 2.82Å; D352-A354 PolarHBondContact OD1-N 3.17Å; D352-S355 PolarHBondContact O-N 3.31Å; D352-S355 VanDerWaalsContact O-N 3.08Å; D352-S355 PolarHBondContact O-OG 3.21Å
353P76.5Confident86Confident131 Ų13152.2 Ų52.285%0.85133%0.326SS*.THydrogen-bonded Turntrans-64.7-21.4-174.828-36.1000113.6E351E351-P353 WeakPolarHBondContact O-CD 2.98Å
354A72.7Confident86.4Confident95 Ų9551.8 Ų51.879%0.78533%0.329SS*.THydrogen-bonded Turntrans-82.5-20.4178.500000112.4D352D352-A354 PolarHBondContact O-N 2.82Å; D352-A354 PolarHBondContact OD1-N 3.17Å
355S68Low86.4Confident37 Ų3752.8 Ų52.826%0.25934%0.343SS..  trans-101.4134.3-178.587.40000110.1D352 S357D352-S355 PolarHBondContact O-N 3.31Å; D352-S355 VanDerWaalsContact O-N 3.08Å; D352-S355 PolarHBondContact O-OG 3.21Å; S355-S357 PolarHBondContact O-N 2.74Å; S355-S357 VanDerWaalsContact O-N 3.12Å; S355-S357 WeakPolarHBondContact OG-CB 3.44Å; S355-S357 PolarHBondContact OG-N 3.2Å; S355-S357 PolarHBondContact OG-OG 2.99Å
356S72.2Confident86.5Confident109 Ų10950 Ų5076%0.76233%0.332SS*.  trans-76.316.5163.756.40000112.3
357S76.9Confident86.5Confident55 Ų5556.1 Ų56.139%0.38536%0.361SS..SBendtrans-83.6161.9-173.984.30000111.6A202 S355A202-S357 WeakPolarHBondContact CB-O 3.07Å; S355-S357 PolarHBondContact O-N 2.74Å; S355-S357 VanDerWaalsContact O-N 3.12Å; S355-S357 WeakPolarHBondContact OG-CB 3.44Å; S355-S357 PolarHBondContact OG-N 3.2Å; S355-S357 PolarHBondContact OG-OG 2.99Å
358T80.9Confident86.4Confident60 Ų6058 Ų5837%0.36837%0.372SS..  trans-63139.3175.852.30000110.2A202 K302A202-T358 HydrophobicContact CB-CG2 4.47Å; K302-T358 VanDerWaalsContact CG-OG1 3.23Å; K302-T358 WeakPolarHBondContact CG-OG1 3.32Å
359G85.8Confident86.3Confident7 Ų759.6 Ų59.67%0.07238%0.383CS..  trans-61.5174.9173.800000112.6D301 W349 V350D301-G359 WeakPolarHBondContact CA-O 3.26Å; W349-G359 VanDerWaalsContact CZ2-CA 3.49Å; V350-G359 CarbonylContact O-C 3.48Å; V350-G359 VanDerWaalsContact O-CA 3.22Å; V350-G359 WeakPolarHBondContact O-CA 3.48Å
360S91.1Very high86Confident64 Ų6461.6 Ų61.645%0.44840%0.401SS..EExtended strand (participates in β ladder)trans-139.4157.2178.560.70000111.7V350V350-S360 PolarHBondContact N-O 2.75Å; V350-S360 PolarHBondContact O-N 3.01Å
361W92.3Very high85.9Confident29 Ų2966.7 Ų66.711%0.1141%0.414CS..EExtended strand (participates in β ladder)trans-83.6132.8172.6-62.2112.2000110.5F299 V307 V312 V347 W349 A386 L388F299-W361 HydrophobicContact CB-CH2 3.65Å; F299-W361 HydrophobicContact CB-CZ2 3.52Å; F299-W361 HydrophobicContact CD1-CH2 4.4Å; F299-W361 HydrophobicContact CG-CH2 4.16Å; F299-W361 HydrophobicContact CG-CZ2 4.49Å; F299-W361 WeakPolarHBondContact O-CZ2 3.27Å; V307-W361 HydrophobicContact CG2-CH2 4.33Å; V307-W361 HydrophobicContact CG2-CZ2 3.72Å; V312-W361 HydrophobicContact CG1-CH2 4.23Å; V312-W361 HydrophobicContact CG2-CH2 4.08Å; V347-W361 HydrophobicContact CB-CB 4.01Å; V347-W361 HydrophobicContact CB-CE3 4.27Å; V347-W361 HydrophobicContact CG1-CB 4.29Å; V347-W361 HydrophobicContact CG2-CB 3.99Å; V347-W361 HydrophobicContact CG2-CD2 3.88Å; V347-W361 HydrophobicContact CG2-CE3 3.57Å; V347-W361 HydrophobicContact CG2-CG 4.09Å; V347-W361 HydrophobicContact CG2-CZ3 4.34Å; W349-W361 HydrophobicContact CB-CE3 4.26Å; W349-W361 HydrophobicContact CB-CH2 4.39Å; W349-W361 HydrophobicContact CB-CZ3 3.79Å; W349-W361 HydrophobicContact CD2-CH2 4.48Å; W349-W361 HydrophobicContact CD2-CZ3 4.47Å; W349-W361 AromaticContact CE3-CD2 3.68Å; W349-W361 HydrophobicContact CE3-CD2 3.68Å; W349-W361 AromaticContact CE3-CE2 3.59Å; W349-W361 AromaticContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CG 4.38Å; W349-W361 AromaticContact CE3-CH2 3.76Å; W349-W361 HydrophobicContact CE3-CH2 3.76Å; W349-W361 AromaticContact CE3-CZ2 3.65Å; W349-W361 HydrophobicContact CE3-CZ2 3.65Å; W349-W361 AromaticContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CZ3-CD2 4.07Å; W349-W361 AromaticContact CZ3-CE2 3.68Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CH2 4.47Å; W349-W361 AromaticContact CZ3-CZ2 3.92Å; W349-W361 HydrophobicContact CZ3-CZ2 3.92Å; W349-W361 AromaticContact CZ3-NE1 3.85Å; W361-A386 HydrophobicContact CE3-CB 4.29Å; W361-A386 HydrophobicContact CH2-CB 3.72Å; W361-A386 HydrophobicContact CZ2-CB 4.44Å; W361-A386 HydrophobicContact CZ3-CB 3.63Å; W361-L388 HydrophobicContact CG-CD1 4.4Å
362S92.4Very high85.8Confident34 Ų3469.9 Ų69.924%0.23843%0.434CS..EExtended strand (participates in β ladder)trans-125.1144.4175-1790000110.4V347 F348 A364V347-S362 CarbonylContact C-O 3.58Å; V347-S362 WeakPolarHBondContact CA-O 3.33Å; V347-S362 WeakPolarHBondContact CB-O 3.22Å; F348-S362 WeakPolarHBondContact CD1-O 3.45Å; F348-S362 WeakPolarHBondContact CE1-O 3.26Å; F348-S362 PolarHBondContact N-O 2.9Å; F348-S362 PolarHBondContact O-N 3.05Å; S362-A364 WeakPolarHBondContact OG-CB 3.27Å; S362-A364 PolarHBondContact OG-N 2.76Å
363S92.8Very high86.2Confident48 Ų4869.4 Ų69.434%0.33643%0.434SS..  trans-103.17.3172.252.10000112.7Q345 G365 C366Q345-S363 PolarHBondContact NE2-OG 3.32Å; S363-G365 PolarHBondContact O-N 2.75Å; S363-C366 PolarHBondContact O-N 2.91Å; S363-C366 VanDerWaalsContact O-N 3.07Å
364A92.4Very high86.9Confident62 Ų6265.8 Ų65.851%0.51241%0.406SS..THydrogen-bonded Turntrans-61.5117.3-177.200000112.2F348 S362 C366 H381F348-A364 HydrophobicContact CE1-CB 4.19Å; F348-A364 WeakPolarHBondContact CE1-O 3.21Å; F348-A364 HydrophobicContact CZ-CB 4.42Å; S362-A364 WeakPolarHBondContact OG-CB 3.27Å; S362-A364 PolarHBondContact OG-N 2.76Å; A364-C366 VanDerWaalsContact C-N 3.32Å; A364-H381 PolarHBondContact O-CE1 3.22Å
365G90Very high87.9Confident36 Ų3661.2 Ų61.237%0.37137%0.368SS..THydrogen-bonded Turntrans79.611.6-178.900000114.7S363 C379 N380S363-G365 PolarHBondContact O-N 2.75Å; G365-C379 CarbonylContact O-C 3.57Å; G365-C379 VanDerWaalsContact O-CA 3.28Å; G365-C379 WeakPolarHBondContact O-CA 3.41Å; G365-N380 PolarHBondContact O-N 3.29Å; G365-N380 PolarHBondContact O-OD1 3.26Å
366C94.1Very high89.2Confident15 Ų1560.4 Ų60.410%0.10136%0.363CS..EExtended strand (participates in β ladder)trans-121.3122.5172-720000110.9S363 A364 L378 C379S363-C366 PolarHBondContact O-N 2.91Å; S363-C366 VanDerWaalsContact O-N 3.07Å; A364-C366 VanDerWaalsContact C-N 3.32Å; C366-L378 CarbonylContact C-O 3.49Å; C366-L378 WeakPolarHBondContact CA-O 3.35Å; C366-C379 HydrophobicContact CB-CB 4.21Å; C366-C379 WeakPolarHBondContact CB-SG 3.37Å; C366-C379 WeakPolarHBondContact SG-CB 3.22Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.23Å
367E94.1Very high90.3Very high130 Ų13055.3 Ų55.361%0.60733%0.327SS*.EExtended strand (participates in β ladder)trans-95.9140.5171.9-172.6177.317900110.3C377 L378E367-C377 WeakPolarHBondContact O-CA 3.28Å; E367-L378 HydrophobicContact CB-CB 4.33Å; E367-L378 PolarHBondContact N-O 3.18Å; E367-L378 PolarHBondContact O-N 3.45Å
368T93.6Very high91.2Very high43 Ų4355 Ų5526%0.26432%0.321SS..EExtended strand (participates in β ladder)trans-109.5124.2-179-50.60000111L344 C346 T375L344-T368 WeakPolarHBondContact O-CG2 3.39Å; C346-T368 HydrophobicContact CB-CG2 4.36Å; C346-T368 VanDerWaalsContact CB-OG1 3.26Å; C346-T368 WeakPolarHBondContact CB-OG1 3.44Å; C346-T368 PolarHBondContact N-OG1 3.37Å; T368-T375 HydrophobicContact CG2-CG2 3.95Å
369V92.3Very high91.9Very high59 Ų5952.1 Ų52.136%0.35830%0.303SS..EExtended strand (participates in β ladder)trans-114.594.1171.1-177.80000107.8T375 S376 L378V369-T375 WeakPolarHBondContact O-CA 3.47Å; V369-S376 PolarHBondContact N-O 3.08Å; V369-S376 PolarHBondContact O-N 3.08Å; V369-L378 HydrophobicContact CB-CD1 4.49Å; V369-L378 HydrophobicContact CG2-CD1 3.71Å
370S88.3Confident92.3Very high63 Ų6354.1 Ų54.144%0.44131%0.312SS..EExtended strand (participates in β ladder)trans-94.4127179.9-178.10000111.1
371R88.3Confident92.4Very high159 Ų15951.8 Ų51.860%0.629%0.294SS*.EExtended strand (participates in β ladder)trans-119.2166.6170.4-58.2176.9172.1177.7-5.1108.5T373 Q374R371-T373 VanDerWaalsContact C-N 3.29Å; R371-T373 PolarHBondContact O-N 3.31Å; R371-T373 VanDerWaalsContact O-N 3.11Å; R371-Q374 CarbonylContact C-O 2.95Å; R371-Q374 WeakPolarHBondContact CA-O 3.14Å; R371-Q374 HydrophobicContact CB-CB 4.48Å; R371-Q374 VanDerWaalsContact CB-O 3.28Å; R371-Q374 WeakPolarHBondContact CB-O 3.43Å; R371-Q374 PolarHBondContact N-O 3.48Å; R371-Q374 PolarHBondContact O-N 3.22Å
372D84.9Confident92.3Very high138 Ų13851.4 Ų51.474%0.73829%0.294SS*.THydrogen-bonded Turntrans-51-42.8-173.6-66.9-11.8000114.2P337P337-D372 VanDerWaalsContact CA-O 3.3Å; P337-D372 WeakPolarHBondContact CA-O 3.18Å
373T89.8Confident92.2Very high84 Ų8451.6 Ų51.652%0.51529%0.294SS..THydrogen-bonded Turntrans-121.711.7-177.165.60000113.5H335 R371H335-T373 PolarHBondContact N-O 3.11Å; H335-T373 VanDerWaalsContact N-O 3.13Å; H335-T373 CarbonylContact O-C 3.55Å; H335-T373 WeakPolarHBondContact O-CA 3.4Å; R371-T373 VanDerWaalsContact C-N 3.29Å; R371-T373 PolarHBondContact O-N 3.31Å; R371-T373 VanDerWaalsContact O-N 3.11Å
374Q92.6Very high92.2Very high54 Ų5450.6 Ų50.625%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-154.4129.2-173.8179-178.657.300110.6T332 F333 H335 R371T332-Q374 HydrophobicContact CG2-CG 3.66Å; F333-Q374 WeakPolarHBondContact O-CA 3.27Å; H335-Q374 PolarHBondContact NE2-N 3.47Å; R371-Q374 CarbonylContact C-O 2.95Å; R371-Q374 WeakPolarHBondContact CA-O 3.14Å; R371-Q374 HydrophobicContact CB-CB 4.48Å; R371-Q374 VanDerWaalsContact CB-O 3.28Å; R371-Q374 WeakPolarHBondContact CB-O 3.43Å; R371-Q374 PolarHBondContact N-O 3.48Å; R371-Q374 PolarHBondContact O-N 3.22Å
375T93.3Very high92.3Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-120.1130.1172.6-64.10000109.9T332 F333 H335 L344 T368 V369 V387T332-T375 WeakPolarHBondContact CA-O 3.27Å; F333-T375 PolarHBondContact N-O 3.25Å; F333-T375 PolarHBondContact O-N 2.92Å; H335-T375 PolarHBondContact NE2-N 2.86Å; H335-T375 PolarHBondContact NE2-OG1 2.91Å; L344-T375 HydrophobicContact CB-CG2 4.41Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.46Å; T368-T375 HydrophobicContact CG2-CG2 3.95Å; V369-T375 WeakPolarHBondContact O-CA 3.47Å; T375-V387 HydrophobicContact CG2-CG1 4.13Å; T375-V387 HydrophobicContact CG2-CG2 4.26Å
376S95.3Very high92.5Very high20 Ų2046 Ų4614%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-113.7133.2175.7-580000111.3L331 T332 V369L331-S376 CarbonylContact O-C 3.58Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.28Å; T332-S376 PolarHBondContact OG1-OG 2.73Å; V369-S376 PolarHBondContact N-O 3.08Å; V369-S376 PolarHBondContact O-N 3.08Å
377C95.8Very high92.5Very high1 Ų145.5 Ų45.51%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-111.3120.1179.4-55.20000109.3V330 L331 C346 E367V330-C377 CarbonylContact C-O 3.44Å; V330-C377 VanDerWaalsContact CA-O 3.32Å; V330-C377 WeakPolarHBondContact CA-O 3.35Å; L331-C377 HydrophobicContact CB-CB 4.17Å; L331-C377 HydrophobicContact CD1-CB 4.09Å; L331-C377 PolarHBondContact N-O 3.07Å; L331-C377 PolarHBondContact O-N 3.19Å; C346-C377 HydrophobicContact CB-CB 3.5Å; C346-C377 WeakPolarHBondContact CB-SG 3.43Å; C346-C377 WeakPolarHBondContact SG-CA 3.44Å; C346-C377 WeakPolarHBondContact SG-CB 3.38Å; C346-C377 CovalentContact SG-SG 2.02Å; C346-C377 PolarHBondContact SG-SG 3.23Å; E367-C377 WeakPolarHBondContact O-CA 3.28Å
378L95.7Very high92.4Very high49 Ų4940.2 Ų40.226%0.25721%0.213SC..EExtended strand (participates in β ladder)trans-108101.8178.6-62.285.8000108.5P328 V329 V330 C366 E367 V369P328-L378 HydrophobicContact CB-CB 4.08Å; P328-L378 HydrophobicContact CG-CB 4.13Å; P328-L378 HydrophobicContact CG-CD2 4.15Å; V329-L378 WeakPolarHBondContact O-CA 3.49Å; V330-L378 HydrophobicContact CG2-CG 4.29Å; C366-L378 CarbonylContact C-O 3.49Å; C366-L378 WeakPolarHBondContact CA-O 3.35Å; E367-L378 HydrophobicContact CB-CB 4.33Å; E367-L378 PolarHBondContact N-O 3.18Å; E367-L378 PolarHBondContact O-N 3.45Å; V369-L378 HydrophobicContact CB-CD1 4.49Å; V369-L378 HydrophobicContact CG2-CD1 3.71Å
379C95.4Very high92Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-114.5139.7-173.2-62.80000112.1P328 V329 G365 C366 F385P328-C379 CarbonylContact C-O 3.52Å; P328-C379 WeakPolarHBondContact CA-O 3.15Å; V329-C379 PolarHBondContact N-O 3.48Å; V329-C379 PolarHBondContact O-N 3.28Å; G365-C379 CarbonylContact O-C 3.57Å; G365-C379 VanDerWaalsContact O-CA 3.28Å; G365-C379 WeakPolarHBondContact O-CA 3.41Å; C366-C379 HydrophobicContact CB-CB 4.21Å; C366-C379 WeakPolarHBondContact CB-SG 3.37Å; C366-C379 WeakPolarHBondContact SG-CB 3.22Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.23Å; C379-F385 HydrophobicContact CB-CD1 4.48Å; C379-F385 HydrophobicContact CB-CE1 3.7Å; C379-F385 HydrophobicContact CB-CZ 3.99Å; C379-F385 WeakPolarHBondContact SG-CE1 3.43Å
380N93.7Very high91.4Very high49 Ų4939.2 Ų39.226%0.26221%0.205SC..SBendtrans-93.613.6-17867.26.1000114.5T323 N324 L325 G365T323-N380 CarbonylContact C-O 3.57Å; N324-N380 PolarHBondContact N-O 3.23Å; L325-N380 PolarHBondContact N-O 3.38Å; G365-N380 PolarHBondContact O-N 3.29Å; G365-N380 PolarHBondContact O-OD1 3.26Å
381H92.7Very high90.2Very high15 Ų1540.2 Ų40.27%0.06921%0.212CC..SBendtrans-149176.7-177.358.1-85.9000110.4V322 T323 F348 A364 T383 F385V322-H381 VanDerWaalsContact O-CA 3.23Å; V322-H381 WeakPolarHBondContact O-CA 3.26Å; V322-H381 VanDerWaalsContact O-CB 3.27Å; V322-H381 WeakPolarHBondContact O-CB 3.4Å; T323-H381 HydrophobicContact CG2-CB 4.23Å; F348-H381 AromaticContact CD1-CE1 3.83Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.33Å; F348-H381 AromaticContact CD2-NE2 3.71Å; F348-H381 AromaticContact CE1-CE1 3.78Å; F348-H381 AromaticContact CE1-NE2 3.62Å; F348-H381 AromaticContact CE2-NE2 3.85Å; F348-H381 AromaticContact CG-NE2 3.46Å; F348-H381 WeakPolarHBondContact CG-NE2 2.96Å; F348-H381 AromaticContact CZ-NE2 3.83Å; A364-H381 PolarHBondContact O-CE1 3.22Å; H381-T383 PolarHBondContact CD2-OG1 3.07Å; H381-F385 AromaticContact NE2-CE1 3.8Å; H381-F385 WeakPolarHBondContact O-CZ 3.35Å
382L90.2Very high88.5Confident21 Ų2133.5 Ų33.511%0.1119%0.19CC..  trans-122.8129176.7-67.4-178.3000111.5L269 V273 I315 V317 V322 V329L269-L382 HydrophobicContact CD2-CD2 4.17Å; V273-L382 HydrophobicContact CG1-CD1 3.57Å; V273-L382 HydrophobicContact CG2-CD1 4.44Å; I315-L382 HydrophobicContact CB-CD2 4.19Å; I315-L382 HydrophobicContact CG2-CD1 4.42Å; I315-L382 HydrophobicContact CG2-CD2 3.81Å; V317-L382 HydrophobicContact CG2-CD1 3.81Å; V322-L382 HydrophobicContact CB-CB 4.4Å; V322-L382 HydrophobicContact CB-CD1 4.04Å; V322-L382 HydrophobicContact CB-CG 4.11Å; V322-L382 HydrophobicContact CG1-CG 4.47Å; V322-L382 HydrophobicContact CG2-CD1 3.99Å; V322-L382 PolarHBondContact O-N 3.01Å; V329-L382 HydrophobicContact CB-CD2 4.41Å; V329-L382 HydrophobicContact CG1-CD2 4.28Å; V329-L382 HydrophobicContact CG2-CD2 3.64Å
383T90.7Very high86.9Confident37 Ų3730.3 Ų30.323%0.22718%0.175CC..SBendtrans-161.1-156.3-177.145.10000110.3I315 F348 H381 F385I315-T383 PolarHBondContact N-O 3Å; F348-T383 WeakPolarHBondContact CB-OG1 3.34Å; F348-T383 HydrophobicContact CD2-CG2 4.05Å; H381-T383 PolarHBondContact CD2-OG1 3.07Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.27Å; T383-F385 VanDerWaalsContact OG1-CZ 3.31Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.39Å
384Y93.3Very high84.7Confident28 Ų2833.1 Ų33.111%0.1118%0.183CC..EExtended strand (participates in β ladder)trans-93.1114166-65.5-95.1000110.1F293 F299 L313 F348 W349F293-Y384 HydrophobicContact CE2-CD1 4.49Å; F293-Y384 HydrophobicContact CE2-CE1 4.12Å; F299-Y384 HydrophobicContact CE1-CD1 4.11Å; F299-Y384 HydrophobicContact CE1-CG 4.12Å; F299-Y384 AromaticContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CE1 4.26Å; F299-Y384 HydrophobicContact CZ-CG 4.26Å; L313-Y384 WeakPolarHBondContact O-CA 3.23Å; F348-Y384 CarbonylContact C-O 3.55Å; F348-Y384 WeakPolarHBondContact CA-O 3.45Å; F348-Y384 WeakPolarHBondContact CB-O 3.24Å; W349-Y384 PolarHBondContact N-O 2.81Å
385F95Very high82.5Confident2 Ų234.8 Ų34.81%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-102.5152.3-176.5-61.4-74.6000112.2V312 L313 I315 L331 V347 F348 C379 H381 T383V312-F385 CarbonylContact C-O 3.47Å; V312-F385 WeakPolarHBondContact CA-O 3.28Å; L313-F385 PolarHBondContact N-O 3.06Å; L313-F385 PolarHBondContact O-N 3.14Å; I315-F385 HydrophobicContact CD1-CD2 4.17Å; I315-F385 HydrophobicContact CD1-CE2 4.28Å; L331-F385 HydrophobicContact CD1-CD2 4.24Å; L331-F385 HydrophobicContact CD1-CG 4.26Å; L331-F385 HydrophobicContact CD2-CB 3.69Å; L331-F385 HydrophobicContact CD2-CD2 3.73Å; L331-F385 HydrophobicContact CD2-CG 3.87Å; V347-F385 WeakPolarHBondContact O-CA 3.22Å; F348-F385 HydrophobicContact CB-CD1 3.7Å; F348-F385 HydrophobicContact CB-CE1 3.83Å; C379-F385 HydrophobicContact CB-CD1 4.48Å; C379-F385 HydrophobicContact CB-CE1 3.7Å; C379-F385 HydrophobicContact CB-CZ 3.99Å; C379-F385 WeakPolarHBondContact SG-CE1 3.43Å; H381-F385 AromaticContact NE2-CE1 3.8Å; H381-F385 WeakPolarHBondContact O-CZ 3.35Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.27Å; T383-F385 VanDerWaalsContact OG1-CZ 3.31Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.39Å
386A94.3Very high80.8Confident0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-151.2160.417600000110.2V307 V312 V347 W361V307-A386 HydrophobicContact CG1-CB 3.7Å; V307-A386 HydrophobicContact CG2-CB 4.03Å; V312-A386 HydrophobicContact CG2-CB 4.36Å; V347-A386 HydrophobicContact CG2-CB 4.11Å; V347-A386 WeakPolarHBondContact CG2-O 3.44Å; V347-A386 PolarHBondContact N-O 3.2Å; V347-A386 PolarHBondContact O-N 3.29Å; V347-A386 VanDerWaalsContact O-O 3.09Å; W361-A386 HydrophobicContact CE3-CB 4.29Å; W361-A386 HydrophobicContact CH2-CB 3.72Å; W361-A386 HydrophobicContact CZ2-CB 4.44Å; W361-A386 HydrophobicContact CZ3-CB 3.63Å
387V93.9Very high79Confident4 Ų439.1 Ų39.12%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-103.9109.1167.9-179.60000107.9V307 L308 F333 L344 Q345 T375V307-V387 WeakPolarHBondContact CA-O 3.06Å; L308-V387 HydrophobicContact CB-CB 4.06Å; L308-V387 HydrophobicContact CB-CG1 4.21Å; L308-V387 WeakPolarHBondContact CB-O 3.07Å; L308-V387 HydrophobicContact CD2-CB 4.2Å; L308-V387 HydrophobicContact CD2-CG1 3.99Å; L308-V387 PolarHBondContact N-O 3.27Å; F333-V387 HydrophobicContact CD2-CG2 3.42Å; F333-V387 VanDerWaalsContact CD2-CG2 3.42Å; F333-V387 HydrophobicContact CE2-CG2 3.68Å; F333-V387 HydrophobicContact CG-CG2 4.17Å; L344-V387 HydrophobicContact CB-CG1 3.77Å; L344-V387 HydrophobicContact CD2-CG1 4.06Å; L344-V387 HydrophobicContact CG-CG1 4.32Å; Q345-V387 CarbonylContact O-C 3.55Å; T375-V387 HydrophobicContact CG2-CG1 4.13Å; T375-V387 HydrophobicContact CG2-CG2 4.26Å
388L91.2Very high77.4Confident19 Ų1941.9 Ų41.910%0.09923%0.233CC..EExtended strand (participates in β ladder)trans-79.9132.9179.2-163.670.8000110.6Q306 V307 Q345 V347 W361 V390Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.28Å; V307-L388 HydrophobicContact CG2-CD1 4.23Å; Q345-L388 PolarHBondContact N-O 3.33Å; Q345-L388 PolarHBondContact O-N 2.83Å; V347-L388 HydrophobicContact CG1-CB 4.08Å; V347-L388 HydrophobicContact CG1-CD2 4.44Å; V347-L388 HydrophobicContact CG2-CB 3.83Å; W361-L388 HydrophobicContact CG-CD1 4.4Å; L388-V390 HydrophobicContact CB-CG2 4.47Å; L388-V390 HydrophobicContact CD2-CG2 3.95Å; L388-V390 HydrophobicContact CG-CG2 4.24Å; L388-V390 PolarHBondContact O-N 3.29Å
389M86.3Confident76.2Confident32 Ų3241.9 Ų41.916%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-85.897.5170.6-66.6-169.7-67.100108.6Q306 L308 V342 L344Q306-M389 HydrophobicContact CB-CE 3.73Å; Q306-M389 PolarHBondContact O-N 2.89Å; L308-M389 HydrophobicContact CB-CG 4.12Å; L308-M389 HydrophobicContact CB-SD 4.5Å; L308-M389 HydrophobicContact CD1-CG 4.22Å; L308-M389 HydrophobicContact CD1-SD 3.87Å; V342-M389 HydrophobicContact CG1-CB 3.71Å; V342-M389 HydrophobicContact CG1-CG 4.03Å; L344-M389 HydrophobicContact CD2-CG 3.83Å
390V78.4Confident74.9Confident49 Ų4945.5 Ų45.530%0.29725%0.247SC..EExtended strand (participates in β ladder)trans-91.2111.9175.7-1770000107T343 Q345 L388 S392T343-V390 PolarHBondContact N-O 3.31Å; T343-V390 PolarHBondContact O-N 3.26Å; T343-V390 VanDerWaalsContact O-O 3.13Å; T343-V390 PolarHBondContact OG1-O 3.13Å; Q345-V390 HydrophobicContact CB-CG2 4.03Å; L388-V390 HydrophobicContact CB-CG2 4.47Å; L388-V390 HydrophobicContact CD2-CG2 3.95Å; L388-V390 HydrophobicContact CG-CG2 4.24Å; L388-V390 PolarHBondContact O-N 3.29Å; V390-S392 PolarHBondContact O-N 2.82Å
391S63.3Low73.8Confident83 Ų8347.7 Ų47.758%0.5826%0.256SS*.EExtended strand (participates in β ladder)trans-59.8109.8172.842.30000108.9N341 T393N341-S391 CarbonylContact O-C 3.48Å; N341-S391 WeakPolarHBondContact O-CA 2.96Å; S391-T393 PolarHBondContact O-N 2.93Å
392S52.3Low73.1Confident18 Ų1853 Ų5313%0.12628%0.276CS..  trans-69.3104.3173.347.90000106.6K340 N341 V342 V390 E394K340-S392 PolarHBondContact O-OG 3.42Å; N341-S392 WeakPolarHBondContact CA-OG 3.46Å; N341-S392 PolarHBondContact O-N 3.36Å; N341-S392 PolarHBondContact O-OG 3.39Å; N341-S392 VanDerWaalsContact O-OG 3.12Å; V342-S392 PolarHBondContact N-OG 2.94Å; V390-S392 PolarHBondContact O-N 2.82Å; S392-E394 PolarHBondContact O-N 2.99Å
393T51.3Low72.7Confident71 Ų7153.4 Ų53.444%0.43628%0.278SS..THydrogen-bonded Turntrans-64.929.5174.348.80000112.2S391 V395 E396 A397S391-T393 PolarHBondContact O-N 2.93Å; T393-V395 VanDerWaalsContact C-N 3.29Å; T393-V395 PolarHBondContact O-N 2.87Å; T393-E396 HydrophobicContact CG2-CB 4.48Å; T393-E396 PolarHBondContact O-N 3.2Å; T393-A397 WeakPolarHBondContact O-CB 3.39Å; T393-A397 PolarHBondContact O-N 3.4Å
394E43.4Very low72.2Confident144 Ų14454 Ų5467%0.67328%0.282SS*.Hα-helixtrans-66.4-34.6176.5-71.6-164.7153.800111.4S392 T398S392-E394 PolarHBondContact O-N 2.99Å; E394-T398 VanDerWaalsContact O-CB 3.3Å; E394-T398 WeakPolarHBondContact O-CB 3.4Å; E394-T398 PolarHBondContact O-N 3.45Å; E394-T398 PolarHBondContact O-OG1 2.92Å
395V48.1Very low71.8Confident89 Ų8957 Ų5754%0.53930%0.299SS..Hα-helixtrans-69.3-44.2172.71800000110.1T393 H399T393-V395 VanDerWaalsContact C-N 3.29Å; T393-V395 PolarHBondContact O-N 2.87Å; V395-H399 PolarHBondContact O-CD2 3.48Å; V395-H399 PolarHBondContact O-N 2.81Å
396E57.6Low71.4Confident100 Ų10059.3 Ų59.347%0.46731%0.312SS..Hα-helixtrans-72.1-39.1-177.8-145.8-166.816000112.7T393 K400T393-E396 HydrophobicContact CG2-CB 4.48Å; T393-E396 PolarHBondContact O-N 3.2Å; E396-K400 VanDerWaalsContact CD-CE 3.49Å; E396-K400 HydrophobicContact CG-CD 4.36Å; E396-K400 WeakPolarHBondContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CD 3.27Å; E396-K400 WeakPolarHBondContact O-CG 2.98Å; E396-K400 PolarHBondContact O-N 2.98Å; E396-K400 WeakPolarHBondContact OE1-CE 3Å; E396-K400 IonicContact OE1-NZ 2.82Å; E396-K400 PolarHBondContact OE1-NZ 3.45Å; E396-K400 IonicContact OE2-NZ 2.73Å; E396-K400 PolarHBondContact OE2-NZ 2.95Å
397A55.5Low71Confident11 Ų1160.3 Ų60.39%0.09132%0.318CS..Hα-helixtrans-68.8-41.2-179.800000111.9T393 K400 H401 V543T393-A397 WeakPolarHBondContact O-CB 3.39Å; T393-A397 PolarHBondContact O-N 3.4Å; A397-K400 PolarHBondContact O-N 2.91Å; A397-H401 PolarHBondContact O-N 3.49Å; A397-V543 HydrophobicContact CB-CB 4.35Å; A397-V543 HydrophobicContact CB-CG1 4.18Å; A397-V543 HydrophobicContact CB-CG2 4.01Å; A397-V543 WeakPolarHBondContact O-CG1 3.43Å
398T63.1Low70.8Confident58 Ų5864.7 Ų64.736%0.35634%0.335SS..Hα-helixtrans-64-46.9176.3-58.10000110.6E394 H401 Y402E394-T398 VanDerWaalsContact O-CB 3.3Å; E394-T398 WeakPolarHBondContact O-CB 3.4Å; E394-T398 PolarHBondContact O-N 3.45Å; E394-T398 PolarHBondContact O-OG1 2.92Å; T398-H401 WeakPolarHBondContact O-CB 3.44Å; T398-H401 PolarHBondContact O-N 3.47Å; T398-Y402 HydrophobicContact CG2-CD2 3.88Å; T398-Y402 HydrophobicContact CG2-CE2 3.45Å; T398-Y402 VanDerWaalsContact CG2-CE2 3.45Å; T398-Y402 WeakPolarHBondContact O-CD2 3.33Å; T398-Y402 PolarHBondContact O-N 2.92Å; T398-Y402 VanDerWaalsContact O-N 3.13Å
399H70.4Confident70.8Confident50 Ų5067.2 Ų67.223%0.23135%0.351CS..Hα-helixtrans-67.9-35.8176.3-67-54.9000112.8V395 H401 Y402 L403 L631 Y635V395-H399 PolarHBondContact O-CD2 3.48Å; V395-H399 PolarHBondContact O-N 2.81Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.49Å; H399-Y402 PolarHBondContact O-N 3.32Å; H399-L403 VanDerWaalsContact O-CB 3.32Å; H399-L403 WeakPolarHBondContact O-CB 3.46Å; H399-L403 WeakPolarHBondContact O-CD1 3.23Å; H399-L403 WeakPolarHBondContact O-CG 3.33Å; H399-L403 PolarHBondContact O-N 3.44Å; H399-L631 HydrophobicContact CB-CD1 3.77Å; H399-L631 WeakPolarHBondContact NE2-CD2 3.08Å; H399-Y635 HydrophobicContact CB-CE2 4.36Å; H399-Y635 AromaticContact ND1-CE2 3.88Å; H399-Y635 AromaticContact ND1-CZ 3.9Å; H399-Y635 PolarHBondContact ND1-OH 3.45Å
400K67.7Low71Confident75 Ų7565.7 Ų65.733%0.32634%0.344SS..Hα-helixtrans-57.5-45.6171-80.3167.6-179.1166.10110.8E396 A397 Y402 L403 T404 V543E396-K400 VanDerWaalsContact CD-CE 3.49Å; E396-K400 HydrophobicContact CG-CD 4.36Å; E396-K400 WeakPolarHBondContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CD 3.27Å; E396-K400 WeakPolarHBondContact O-CG 2.98Å; E396-K400 PolarHBondContact O-N 2.98Å; E396-K400 WeakPolarHBondContact OE1-CE 3Å; E396-K400 IonicContact OE1-NZ 2.82Å; E396-K400 PolarHBondContact OE1-NZ 3.45Å; E396-K400 IonicContact OE2-NZ 2.73Å; E396-K400 PolarHBondContact OE2-NZ 2.95Å; A397-K400 PolarHBondContact O-N 2.91Å; K400-Y402 PolarHBondContact O-N 3.4Å; K400-L403 PolarHBondContact O-N 3.48Å; K400-T404 WeakPolarHBondContact O-CB 3.4Å; K400-T404 PolarHBondContact O-N 3.3Å; K400-T404 PolarHBondContact O-OG1 2.87Å; K400-V543 HydrophobicContact CB-CG2 4.43Å
401H70.6Confident71.6Confident96 Ų9663.8 Ų63.844%0.44433%0.332SS..Hα-helixtrans-59.5-48.5176.9-172.761.4000112.7A397 T398 H399 T404 L405 V543A397-H401 PolarHBondContact O-N 3.49Å; T398-H401 WeakPolarHBondContact O-CB 3.44Å; T398-H401 PolarHBondContact O-N 3.47Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.49Å; H401-T404 PolarHBondContact O-N 3.37Å; H401-L405 WeakPolarHBondContact O-CB 3.4Å; H401-L405 PolarHBondContact O-N 3.1Å; H401-V543 HydrophobicContact CB-CG1 4.08Å
402Y79.2Confident73Confident127 Ų12762.5 Ų62.550%0.49832%0.321SS..Hα-helixtrans-64.1-40.4178.2-72.3-61.7000112.4T398 H399 K400 L405 L406T398-Y402 HydrophobicContact CG2-CD2 3.88Å; T398-Y402 HydrophobicContact CG2-CE2 3.45Å; T398-Y402 VanDerWaalsContact CG2-CE2 3.45Å; T398-Y402 WeakPolarHBondContact O-CD2 3.33Å; T398-Y402 PolarHBondContact O-N 2.92Å; T398-Y402 VanDerWaalsContact O-N 3.13Å; H399-Y402 PolarHBondContact O-N 3.32Å; K400-Y402 PolarHBondContact O-N 3.4Å; Y402-L405 PolarHBondContact O-N 2.86Å; Y402-L406 VanDerWaalsContact O-CB 3.23Å; Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.42Å
403L81.4Confident75Confident28 Ų2864.7 Ų64.715%0.14733%0.33CS..Hα-helixtrans-64.9-39.7175.2-72.6165.8000111.7H399 K400 L406 S407 L634 Y635H399-L403 VanDerWaalsContact O-CB 3.32Å; H399-L403 WeakPolarHBondContact O-CB 3.46Å; H399-L403 WeakPolarHBondContact O-CD1 3.23Å; H399-L403 WeakPolarHBondContact O-CG 3.33Å; H399-L403 PolarHBondContact O-N 3.44Å; K400-L403 PolarHBondContact O-N 3.48Å; L403-L406 PolarHBondContact O-N 3.02Å; L403-S407 VanDerWaalsContact O-CB 3.3Å; L403-S407 WeakPolarHBondContact O-CB 3.17Å; L403-S407 PolarHBondContact O-N 3.33Å; L403-S407 PolarHBondContact O-OG 2.88Å; L403-L634 HydrophobicContact CD1-CB 4.45Å; L403-Y635 HydrophobicContact CD2-CD1 3.73Å; L403-Y635 HydrophobicContact CD2-CD2 4.12Å; L403-Y635 HydrophobicContact CD2-CE1 3.94Å; L403-Y635 HydrophobicContact CD2-CE2 4.28Å; L403-Y635 HydrophobicContact CD2-CG 3.82Å; L403-Y635 HydrophobicContact CG-CD1 4.48Å; L403-Y635 HydrophobicContact CG-CE1 4.21Å; L403-Y635 HydrophobicContact CG-CE2 4.31Å
404T80.2Confident77Confident49 Ų4961.3 Ų61.330%0.30131%0.31SS..Hα-helixtrans-64.3-46.8174.7-62.50000110.8K400 H401 L406 S407 Y408K400-T404 WeakPolarHBondContact O-CB 3.4Å; K400-T404 PolarHBondContact O-N 3.3Å; K400-T404 PolarHBondContact O-OG1 2.87Å; H401-T404 PolarHBondContact O-N 3.37Å; T404-L406 VanDerWaalsContact C-N 3.35Å; T404-L406 PolarHBondContact O-N 2.91Å; T404-S407 PolarHBondContact O-N 3.2Å; T404-Y408 WeakPolarHBondContact O-CB 3.31Å; T404-Y408 PolarHBondContact O-N 3.5Å
405L83.9Confident79.4Confident93 Ų9355 Ų5549%0.48728%0.282SS..Hα-helixtrans-59.9-46.2177.1-177.369000111.4H401 Y402 S407 Y408 V409H401-L405 WeakPolarHBondContact O-CB 3.4Å; H401-L405 PolarHBondContact O-N 3.1Å; Y402-L405 PolarHBondContact O-N 2.86Å; L405-S407 VanDerWaalsContact C-N 3.35Å; L405-S407 PolarHBondContact O-N 3.4Å; L405-Y408 PolarHBondContact O-N 3.12Å; L405-V409 WeakPolarHBondContact O-CG2 3.27Å; L405-V409 PolarHBondContact O-N 3.09Å
406L87.3Confident81.6Confident50 Ų5056.4 Ų56.426%0.26229%0.286SS..Hα-helixtrans-61-44.4177.2-178.160.3000111.6Y402 L403 T404 G410 Y635 I639Y402-L406 VanDerWaalsContact O-CB 3.23Å; Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 3.02Å; T404-L406 VanDerWaalsContact C-N 3.35Å; T404-L406 PolarHBondContact O-N 2.91Å; L406-G410 PolarHBondContact O-N 3.12Å; L406-Y635 HydrophobicContact CD2-CD1 4.28Å; L406-I639 HydrophobicContact CD1-CG1 4.4Å; L406-I639 HydrophobicContact CD2-CD1 4.25Å; L406-I639 HydrophobicContact CD2-CG1 3.55Å; L406-I639 HydrophobicContact CG-CG1 4.28Å
407S87Confident83.2Confident20 Ų2052 Ų5214%0.1427%0.267CS..Hα-helixtrans-65.4-41.5178-56.40000111.7L403 T404 L405 G410 C411 S638 S642L403-S407 VanDerWaalsContact O-CB 3.3Å; L403-S407 WeakPolarHBondContact O-CB 3.17Å; L403-S407 PolarHBondContact O-N 3.33Å; L403-S407 PolarHBondContact O-OG 2.88Å; T404-S407 PolarHBondContact O-N 3.2Å; L405-S407 VanDerWaalsContact C-N 3.35Å; L405-S407 PolarHBondContact O-N 3.4Å; S407-G410 PolarHBondContact O-N 3.4Å; S407-C411 VanDerWaalsContact O-CB 3.29Å; S407-C411 WeakPolarHBondContact O-CB 3.21Å; S407-C411 PolarHBondContact O-N 3.45Å; S407-C411 PolarHBondContact O-SG 3.47Å; S407-S638 PolarHBondContact OG-OG 2.83Å; S407-S642 VanDerWaalsContact CA-OG 3.29Å; S407-S642 WeakPolarHBondContact CA-OG 3.41Å
408Y88.3Confident85Confident97 Ų9751.5 Ų51.538%0.3826%0.263SS..Hα-helixtrans-61.6-50.5177.8-166-83.7000111.3T404 L405 G410 C411 V412 L455T404-Y408 WeakPolarHBondContact O-CB 3.31Å; T404-Y408 PolarHBondContact O-N 3.5Å; L405-Y408 PolarHBondContact O-N 3.12Å; Y408-G410 PolarHBondContact O-N 3.05Å; Y408-C411 PolarHBondContact O-N 2.92Å; Y408-V412 HydrophobicContact CD1-CG2 4.29Å; Y408-V412 HydrophobicContact CE1-CG2 4.13Å; Y408-V412 WeakPolarHBondContact O-CG2 3.41Å; Y408-V412 PolarHBondContact O-N 3.32Å; Y408-L455 HydrophobicContact CD1-CD2 4.14Å; Y408-L455 HydrophobicContact CD2-CD2 3.62Å; Y408-L455 HydrophobicContact CE1-CD2 4.06Å; Y408-L455 HydrophobicContact CE2-CD2 3.53Å; Y408-L455 HydrophobicContact CG-CD2 3.92Å
409V91Very high86.4Confident72 Ų7252.2 Ų52.244%0.43627%0.267SS..Hα-helixtrans-62.4-44.3178173.60000111.1L405 V412 I413L405-V409 WeakPolarHBondContact O-CG2 3.27Å; L405-V409 PolarHBondContact O-N 3.09Å; V409-V412 PolarHBondContact O-N 3.48Å; V409-I413 HydrophobicContact CG1-CD1 4.02Å; V409-I413 WeakPolarHBondContact O-CG1 3.22Å; V409-I413 PolarHBondContact O-N 3.41Å
410G90.8Very high87.4Confident0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-61.3-47.6177.400000112.5L406 S407 Y408 V412 I413 S414 S642L406-G410 PolarHBondContact O-N 3.12Å; S407-G410 PolarHBondContact O-N 3.4Å; Y408-G410 PolarHBondContact O-N 3.05Å; G410-V412 VanDerWaalsContact C-N 3.33Å; G410-V412 PolarHBondContact O-N 3.49Å; G410-I413 PolarHBondContact O-N 2.87Å; G410-S414 WeakPolarHBondContact O-CB 3.23Å; G410-S414 PolarHBondContact O-N 2.96Å; G410-S642 CarbonylContact C-O 3.56Å; G410-S642 VanDerWaalsContact O-O 3.04Å
411C92.1Very high88.4Confident9 Ų951.7 Ų51.76%0.06126%0.264CS..Hα-helixtrans-61.5-36.9177.7-75.90000112.7S407 Y408 S414 A415 D451 F454 L455S407-C411 VanDerWaalsContact O-CB 3.29Å; S407-C411 WeakPolarHBondContact O-CB 3.21Å; S407-C411 PolarHBondContact O-N 3.45Å; S407-C411 PolarHBondContact O-SG 3.47Å; Y408-C411 PolarHBondContact O-N 2.92Å; C411-S414 PolarHBondContact O-N 3.2Å; C411-A415 WeakPolarHBondContact O-CB 3.3Å; C411-A415 PolarHBondContact O-N 2.97Å; C411-D451 HydrophobicContact CB-CB 4.25Å; C411-D451 PolarHBondContact SG-OD1 3.46Å; C411-F454 HydrophobicContact CB-CD1 4.29Å; C411-L455 HydrophobicContact CB-CD1 4.49Å; C411-L455 HydrophobicContact CB-CD2 4.18Å; C411-L455 HydrophobicContact CB-CG 4.23Å
412V92.8Very high89.3Confident55 Ų5548.8 Ų48.833%0.33325%0.252SS..Hα-helixtrans-63-47.3174.2171.60000111Y408 V409 G410 A415 L416 L455Y408-V412 HydrophobicContact CD1-CG2 4.29Å; Y408-V412 HydrophobicContact CE1-CG2 4.13Å; Y408-V412 WeakPolarHBondContact O-CG2 3.41Å; Y408-V412 PolarHBondContact O-N 3.32Å; V409-V412 PolarHBondContact O-N 3.48Å; G410-V412 VanDerWaalsContact C-N 3.33Å; G410-V412 PolarHBondContact O-N 3.49Å; V412-A415 PolarHBondContact O-N 2.83Å; V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 WeakPolarHBondContact O-CG 3.18Å; V412-L416 PolarHBondContact O-N 3.4Å; V412-L455 HydrophobicContact CG2-CD1 3.98Å; V412-L455 HydrophobicContact CG2-CD2 3.83Å
413I93.2Very high89.8Confident64 Ų6444.8 Ų44.833%0.32825%0.245SC..Hα-helixtrans-62.7-45.5178.5-65.5168000110.4V409 G410 L416 A417 F643 F646V409-I413 HydrophobicContact CG1-CD1 4.02Å; V409-I413 WeakPolarHBondContact O-CG1 3.22Å; V409-I413 PolarHBondContact O-N 3.41Å; G410-I413 PolarHBondContact O-N 2.87Å; I413-L416 PolarHBondContact O-N 3.47Å; I413-A417 WeakPolarHBondContact O-CB 3.39Å; I413-A417 PolarHBondContact O-N 2.98Å; I413-F643 HydrophobicContact CB-CE1 4.4Å; I413-F643 HydrophobicContact CD1-CE1 3.76Å; I413-F643 HydrophobicContact CD1-CZ 4.02Å; I413-F643 HydrophobicContact CG2-CD1 4.49Å; I413-F643 HydrophobicContact CG2-CE1 4.22Å; I413-F646 HydrophobicContact CG2-CB 4.39Å; I413-F646 HydrophobicContact CG2-CD2 4.03Å; I413-F646 HydrophobicContact CG2-CG 4.27Å
414S93.7Very high90.1Very high0 Ų044.9 Ų44.90%025%0.25CC..Hα-helixtrans-59.5-49.3176.8176.70000111.5G410 C411 L416 A417 C418 D451 S642 G645G410-S414 WeakPolarHBondContact O-CB 3.23Å; G410-S414 PolarHBondContact O-N 2.96Å; C411-S414 PolarHBondContact O-N 3.2Å; S414-L416 PolarHBondContact O-N 3.24Å; S414-A417 PolarHBondContact O-N 3.4Å; S414-C418 PolarHBondContact O-N 3.42Å; S414-C418 PolarHBondContact O-SG 2.86Å; S414-D451 WeakPolarHBondContact CB-OD2 3.34Å; S414-D451 PolarHBondContact OG-OD2 3.3Å; S414-S642 WeakPolarHBondContact CB-O 3.46Å; S414-G645 VanDerWaalsContact OG-CA 3.26Å; S414-G645 WeakPolarHBondContact OG-CA 3.33Å; S414-G645 PolarHBondContact OG-N 3.29Å
415A93.1Very high90.3Very high11 Ų1145 Ų459%0.09125%0.245CC..Hα-helixtrans-60.3-43.8179.300000112.3C411 V412 C418 V419 F448 D451C411-A415 WeakPolarHBondContact O-CB 3.3Å; C411-A415 PolarHBondContact O-N 2.97Å; V412-A415 PolarHBondContact O-N 2.83Å; A415-C418 WeakPolarHBondContact O-CB 3.37Å; A415-C418 PolarHBondContact O-N 3.48Å; A415-V419 WeakPolarHBondContact O-CG2 3.46Å; A415-V419 PolarHBondContact O-N 3.34Å; A415-F448 HydrophobicContact CB-CD2 4.28Å; A415-F448 HydrophobicContact CB-CE2 4.48Å; A415-D451 HydrophobicContact CB-CB 4.04Å; A415-D451 PolarHBondContact N-OD2 3.47Å
416L94.1Very high90.5Very high119 Ų11946.8 Ų46.862%0.62325%0.254SS*.Hα-helixtrans-62.9-42.7176.2-70.2173.8000111.9V412 I413 S414 C418 V419 F420V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 WeakPolarHBondContact O-CG 3.18Å; V412-L416 PolarHBondContact O-N 3.4Å; I413-L416 PolarHBondContact O-N 3.47Å; S414-L416 PolarHBondContact O-N 3.24Å; L416-C418 VanDerWaalsContact C-N 3.34Å; L416-V419 PolarHBondContact O-N 2.96Å; L416-F420 WeakPolarHBondContact O-CB 3.28Å; L416-F420 PolarHBondContact O-N 3.36Å
417A92.6Very high90.4Very high9 Ų949.4 Ų49.47%0.07428%0.276CS..Hα-helixtrans-63.6-39.7175.500000111.9I413 S414 F420 T421 F646 F649I413-A417 WeakPolarHBondContact O-CB 3.39Å; I413-A417 PolarHBondContact O-N 2.98Å; S414-A417 PolarHBondContact O-N 3.4Å; A417-F420 PolarHBondContact O-N 2.96Å; A417-T421 WeakPolarHBondContact O-CB 3.43Å; A417-T421 PolarHBondContact O-N 3.42Å; A417-T421 PolarHBondContact O-OG1 2.87Å; A417-F646 HydrophobicContact CB-CD2 4.19Å; A417-F649 HydrophobicContact CB-CB 3.93Å; A417-F649 HydrophobicContact CB-CD1 4.16Å; A417-F649 HydrophobicContact CB-CG 4.08Å
418C92.3Very high90.1Very high0 Ų049.9 Ų49.90%028%0.279CS..Hα-helixtrans-60.1-51.4174.2-65.10000111.1S414 A415 L416 F420 T421 I422 L444 F448S414-C418 PolarHBondContact O-N 3.42Å; S414-C418 PolarHBondContact O-SG 2.86Å; A415-C418 WeakPolarHBondContact O-CB 3.37Å; A415-C418 PolarHBondContact O-N 3.48Å; L416-C418 VanDerWaalsContact C-N 3.34Å; C418-F420 PolarHBondContact O-N 3.05Å; C418-T421 PolarHBondContact O-N 3.21Å; C418-I422 WeakPolarHBondContact O-CB 3.46Å; C418-I422 VanDerWaalsContact O-CG1 3.27Å; C418-I422 WeakPolarHBondContact O-CG1 3.45Å; C418-I422 PolarHBondContact O-N 3.42Å; C418-L444 HydrophobicContact CB-CD1 3.87Å; C418-L444 HydrophobicContact CB-CD2 4.46Å; C418-L444 HydrophobicContact CB-CG 3.9Å; C418-L444 WeakPolarHBondContact SG-CD1 3.19Å; C418-F448 HydrophobicContact CB-CB 3.95Å; C418-F448 HydrophobicContact CB-CD2 4.3Å
419V92.7Very high89Confident73 Ų7357.5 Ų57.544%0.44231%0.307SS..Hα-helixtrans-58.4-47.6179.4170.60000111A415 L416 T421 I422 A423 F448A415-V419 WeakPolarHBondContact O-CG2 3.46Å; A415-V419 PolarHBondContact O-N 3.34Å; L416-V419 PolarHBondContact O-N 2.96Å; V419-T421 VanDerWaalsContact C-N 3.34Å; V419-T421 PolarHBondContact O-N 2.84Å; V419-I422 PolarHBondContact O-N 3.44Å; V419-A423 WeakPolarHBondContact O-CB 3.3Å; V419-A423 PolarHBondContact O-N 3.29Å; V419-F448 HydrophobicContact CG2-CD2 3.92Å; V419-F448 HydrophobicContact CG2-CE2 3.46Å; V419-F448 VanDerWaalsContact CG2-CE2 3.46Å; V419-F448 HydrophobicContact CG2-CZ 4.15Å
420F91.5Very high87.8Confident111 Ų11164.4 Ų64.449%0.48733%0.326SS..Hα-helixtrans-59.6-44.4179.2-179.9-98.7000112L416 A417 C418 A424 F649 W653L416-F420 WeakPolarHBondContact O-CB 3.28Å; L416-F420 PolarHBondContact O-N 3.36Å; A417-F420 PolarHBondContact O-N 2.96Å; C418-F420 PolarHBondContact O-N 3.05Å; F420-A424 VanDerWaalsContact O-CB 3.27Å; F420-A424 WeakPolarHBondContact O-CB 3.43Å; F420-A424 PolarHBondContact O-N 3.08Å; F420-F649 HydrophobicContact CD1-CD2 4.41Å; F420-F649 AromaticContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CZ 4.06Å; F420-F649 AromaticContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CZ 4.18Å; F420-W653 HydrophobicContact CE1-CZ3 4.5Å
421T88.8Confident86.3Confident2 Ų273.7 Ų73.71%0.01237%0.366CS..Hα-helixtrans-68.9-44.4-179.1-50.10000112.2A417 C418 V419 A424 Y425 M441 L444 F649 Y652A417-T421 WeakPolarHBondContact O-CB 3.43Å; A417-T421 PolarHBondContact O-N 3.42Å; A417-T421 PolarHBondContact O-OG1 2.87Å; C418-T421 PolarHBondContact O-N 3.21Å; V419-T421 VanDerWaalsContact C-N 3.34Å; V419-T421 PolarHBondContact O-N 2.84Å; T421-A424 PolarHBondContact O-N 3.42Å; T421-Y425 WeakPolarHBondContact O-CB 3.4Å; T421-Y425 PolarHBondContact O-N 3.42Å; T421-M441 HydrophobicContact CG2-CE 4.23Å; T421-L444 HydrophobicContact CG2-CD2 3.69Å; T421-F649 WeakPolarHBondContact OG1-CD2 3.28Å; T421-Y652 HydrophobicContact CG2-CD1 3.71Å; T421-Y652 HydrophobicContact CG2-CD2 4.37Å; T421-Y652 HydrophobicContact CG2-CE1 4.16Å; T421-Y652 HydrophobicContact CG2-CG 3.83Å
422I88.9Confident84.7Confident36 Ų3674.3 Ų74.319%0.18537%0.37CS..Hα-helixtrans-63-45.3176.9-66.4170.1000109.4C418 V419 Y425 L426 L444C418-I422 WeakPolarHBondContact O-CB 3.46Å; C418-I422 VanDerWaalsContact O-CG1 3.27Å; C418-I422 WeakPolarHBondContact O-CG1 3.45Å; C418-I422 PolarHBondContact O-N 3.42Å; V419-I422 PolarHBondContact O-N 3.44Å; I422-Y425 WeakPolarHBondContact O-CB 3.43Å; I422-Y425 PolarHBondContact O-N 3.1Å; I422-L426 HydrophobicContact CG2-CD1 3.91Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.43Å; I422-L426 PolarHBondContact O-N 2.85Å; I422-L444 HydrophobicContact CD1-CD2 4.18Å; I422-L444 HydrophobicContact CD1-CG 4.19Å; I422-L444 HydrophobicContact CG1-CD2 3.59Å; I422-L444 HydrophobicContact CG1-CG 4.15Å
423A89.9Confident83.2Confident42 Ų4282 Ų8235%0.34739%0.394SS..Hα-helixtrans-61-45.8176.300000111.7V419 Y425 L426 C427V419-A423 WeakPolarHBondContact O-CB 3.3Å; V419-A423 PolarHBondContact O-N 3.29Å; A423-Y425 VanDerWaalsContact C-N 3.29Å; A423-Y425 PolarHBondContact O-N 3.36Å; A423-L426 PolarHBondContact O-N 3.41Å; A423-C427 WeakPolarHBondContact O-CB 3.46Å; A423-C427 PolarHBondContact O-N 3.39Å; A423-C427 PolarHBondContact O-SG 2.99Å
424A87.5Confident82.2Confident31 Ų3183.4 Ų83.426%0.25640%0.402SS..Hα-helixtrans-60.3-37.7176.100000112.4F420 T421 S428F420-A424 VanDerWaalsContact O-CB 3.27Å; F420-A424 WeakPolarHBondContact O-CB 3.43Å; F420-A424 PolarHBondContact O-N 3.08Å; T421-A424 PolarHBondContact O-N 3.42Å; A424-S428 WeakPolarHBondContact O-CB 3.48Å; A424-S428 PolarHBondContact O-N 3.04Å; A424-S428 VanDerWaalsContact O-N 3.14Å
425Y85.6Confident81.4Confident50 Ų5088 Ų8820%0.19642%0.419CS..Hα-helixtrans-66-46.8174175.3-103.7000112.2T421 I422 A423 S428 I437 M441T421-Y425 WeakPolarHBondContact O-CB 3.4Å; T421-Y425 PolarHBondContact O-N 3.42Å; I422-Y425 WeakPolarHBondContact O-CB 3.43Å; I422-Y425 PolarHBondContact O-N 3.1Å; A423-Y425 VanDerWaalsContact C-N 3.29Å; A423-Y425 PolarHBondContact O-N 3.36Å; Y425-S428 WeakPolarHBondContact O-CB 3.45Å; Y425-S428 PolarHBondContact O-N 3.15Å; Y425-I437 HydrophobicContact CD2-CG2 3.74Å; Y425-I437 HydrophobicContact CE2-CG2 3.46Å; Y425-I437 VanDerWaalsContact CE2-CG2 3.46Å; Y425-M441 HydrophobicContact CD1-CG 3.67Å; Y425-M441 HydrophobicContact CD1-SD 3.95Å; Y425-M441 HydrophobicContact CD2-CG 4.14Å; Y425-M441 HydrophobicContact CD2-SD 4.26Å; Y425-M441 HydrophobicContact CE1-CG 3.87Å; Y425-M441 HydrophobicContact CE2-CG 4.33Å; Y425-M441 HydrophobicContact CG-CG 3.81Å; Y425-M441 HydrophobicContact CG-SD 3.68Å
426L86.9Confident80.9Confident131 Ų13188.6 Ų88.669%0.68642%0.422SS*.Hα-helixtrans-67.2-37.3180-67.8175.2000112.6I422 A423 S428I422-L426 HydrophobicContact CG2-CD1 3.91Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.43Å; I422-L426 PolarHBondContact O-N 2.85Å; A423-L426 PolarHBondContact O-N 3.41Å; L426-S428 VanDerWaalsContact C-N 3.32Å
427C86.8Confident80.4Confident106 Ų10684.6 Ų84.672%0.71640%0.401SS*.Hα-helixtrans-75-20.1176.9-67.60000113.1A423 R429A423-C427 WeakPolarHBondContact O-CB 3.46Å; A423-C427 PolarHBondContact O-N 3.39Å; A423-C427 PolarHBondContact O-SG 2.99Å; C427-R429 PolarHBondContact O-N 2.88Å; C427-R429 VanDerWaalsContact O-N 3.11Å
428S80.3Confident80.2Confident30 Ų3087.2 Ų87.221%0.2141%0.411CS..  trans-69.4107.8178173.20000110.4A424 Y425 L426 R430 R656A424-S428 WeakPolarHBondContact O-CB 3.48Å; A424-S428 PolarHBondContact O-N 3.04Å; A424-S428 VanDerWaalsContact O-N 3.14Å; Y425-S428 WeakPolarHBondContact O-CB 3.45Å; Y425-S428 PolarHBondContact O-N 3.15Å; L426-S428 VanDerWaalsContact C-N 3.32Å; S428-R430 PolarHBondContact O-N 2.98Å; S428-R656 PolarHBondContact OG-NH2 3.28Å; S428-R656 VanDerWaalsContact OG-NH2 3.09Å
429R65.5Low80Confident257 Ų25787.2 Ų87.297%0.9741%0.411SS*.SBendtrans-56.9-18.7176-67.3-173.3-179.3178.30.7114C427 K431C427-R429 PolarHBondContact O-N 2.88Å; C427-R429 VanDerWaalsContact O-N 3.11Å; R429-K431 PolarHBondContact O-N 3Å
430R64.8Low79.8Confident217 Ų21783.7 Ų83.782%0.81939%0.39SS*.SBendtrans-81.396.2175.4-135.8173.2-169.5148.80.2108.3S428 S432S428-R430 PolarHBondContact O-N 2.98Å; R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 3.5Å
431K59.3Low79.7Confident194 Ų19479 Ų7984%0.84337%0.37SS*.  trans-61.195166.3-75.5-177.6-178.8177.50107.8R429 R433R429-K431 PolarHBondContact O-N 3Å; K431-R433 PolarHBondContact O-N 3.24Å
432S59.3Low79.9Confident23 Ų2380.8 Ų80.816%0.16138%0.379CS..  trans-59123.4171.31640000107.8R430 D434 I437R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 3.5Å; S432-D434 PolarHBondContact O-N 2.95Å; S432-D434 WeakPolarHBondContact OG-CB 3.16Å; S432-D434 PolarHBondContact OG-N 3.07Å; S432-D434 PolarHBondContact OG-OD2 2.79Å; S432-I437 WeakPolarHBondContact OG-CD1 3.31Å
433R60Low80.1Confident217 Ų21779.1 Ų79.182%0.81937%0.37SS*.  trans-77.5-0.7171.1-74.5176.666.4145.6-2.3111.2K431 Y435K431-R433 PolarHBondContact O-N 3.24Å; R433-Y435 PolarHBondContact O-N 3.17Å
434D72.7Confident80.2Confident93 Ų9377.1 Ų77.150%0.49735%0.354SS..  trans-74.7113.4-175.4-47.8-40.7000109.1S432 T436 I437 K438S432-D434 PolarHBondContact O-N 2.95Å; S432-D434 WeakPolarHBondContact OG-CB 3.16Å; S432-D434 PolarHBondContact OG-N 3.07Å; S432-D434 PolarHBondContact OG-OD2 2.79Å; D434-T436 PolarHBondContact O-N 3.16Å; D434-I437 HydrophobicContact CB-CD1 4.29Å; D434-I437 HydrophobicContact CB-CG1 4.3Å; D434-I437 PolarHBondContact O-N 3.25Å; D434-K438 PolarHBondContact O-N 2.78Å
435Y77.7Confident80.5Confident95 Ų9577.5 Ų77.537%0.37335%0.354SS..Hα-helixtrans-56.9-37177-73.2-71.4000111.5R433 I437 K438 V439 Y509 L510R433-Y435 PolarHBondContact O-N 3.17Å; Y435-I437 VanDerWaalsContact C-N 3.35Å; Y435-I437 PolarHBondContact O-N 3.06Å; Y435-K438 WeakPolarHBondContact O-CB 3.29Å; Y435-K438 PolarHBondContact O-N 2.83Å; Y435-V439 WeakPolarHBondContact O-CG2 3.42Å; Y435-V439 PolarHBondContact O-N 2.83Å; Y435-Y509 HydrophobicContact CD1-CD1 4.15Å; Y435-Y509 HydrophobicContact CG-CD1 4.33Å; Y435-L510 HydrophobicContact CD1-CD1 3.64Å; Y435-L510 HydrophobicContact CD1-CD2 4.06Å; Y435-L510 HydrophobicContact CD1-CG 3.6Å; Y435-L510 HydrophobicContact CE1-CD1 3.76Å; Y435-L510 HydrophobicContact CE1-CG 3.89Å
436T81.9Confident80.9Confident24 Ų2475.1 Ų75.115%0.14735%0.345CS..Hα-helixtrans-54.3-46.6175.9-54.70000112.6D434 K438 V439 H440 N493 W651D434-T436 PolarHBondContact O-N 3.16Å; T436-K438 VanDerWaalsContact C-N 3.27Å; T436-K438 PolarHBondContact O-N 2.93Å; T436-V439 PolarHBondContact O-N 2.91Å; T436-H440 VanDerWaalsContact O-CB 3.27Å; T436-H440 WeakPolarHBondContact O-CB 3.48Å; T436-H440 PolarHBondContact O-N 3.15Å; T436-N493 WeakPolarHBondContact CA-ND2 3.32Å; T436-N493 PolarHBondContact OG1-ND2 2.92Å; T436-W651 HydrophobicContact CG2-CH2 4.37Å
437I83.9Confident81.2Confident36 Ų3669 Ų6919%0.18531%0.313CS..Hα-helixtrans-64.2-37.4179.2-67.9175.7000110.4Y425 S432 D434 Y435 H440 M441 Y652Y425-I437 HydrophobicContact CD2-CG2 3.74Å; Y425-I437 HydrophobicContact CE2-CG2 3.46Å; Y425-I437 VanDerWaalsContact CE2-CG2 3.46Å; S432-I437 WeakPolarHBondContact OG-CD1 3.31Å; D434-I437 HydrophobicContact CB-CD1 4.29Å; D434-I437 HydrophobicContact CB-CG1 4.3Å; D434-I437 PolarHBondContact O-N 3.25Å; Y435-I437 VanDerWaalsContact C-N 3.35Å; Y435-I437 PolarHBondContact O-N 3.06Å; I437-H440 WeakPolarHBondContact O-CB 3.18Å; I437-H440 PolarHBondContact O-N 2.99Å; I437-M441 HydrophobicContact CG2-CE 4.16Å; I437-M441 HydrophobicContact CG2-CG 4.41Å; I437-M441 VanDerWaalsContact O-CG 3.27Å; I437-M441 WeakPolarHBondContact O-CG 3.4Å; I437-M441 PolarHBondContact O-N 3.05Å; I437-Y652 HydrophobicContact CG2-CE2 4.37Å
438K87Confident81.5Confident63 Ų6367.1 Ų67.127%0.27429%0.293SS..Hα-helixtrans-70.5-39.6179.2-67.4174-178.3169.90113D434 Y435 T436 H440 M441 N442 L510D434-K438 PolarHBondContact O-N 2.78Å; Y435-K438 WeakPolarHBondContact O-CB 3.29Å; Y435-K438 PolarHBondContact O-N 2.83Å; T436-K438 VanDerWaalsContact C-N 3.27Å; T436-K438 PolarHBondContact O-N 2.93Å; K438-H440 VanDerWaalsContact C-N 3.31Å; K438-M441 PolarHBondContact O-N 3.31Å; K438-N442 PolarHBondContact O-N 2.82Å; K438-N442 PolarHBondContact O-ND2 3.5Å; K438-L510 HydrophobicContact CB-CD1 4.09Å; K438-L510 HydrophobicContact CB-CD2 3.95Å; K438-L510 HydrophobicContact CD-CD1 3.37Å; K438-L510 HydrophobicContact CG-CD1 4.38Å
439V89.1Confident82.2Confident0 Ų068.7 Ų68.70%030%0.299CS..Hα-helixtrans-62.3-44.6173.3179.80000109.3Y435 T436 M441 N442 L443 W486 E490 N493 L510 L513Y435-V439 WeakPolarHBondContact O-CG2 3.42Å; Y435-V439 PolarHBondContact O-N 2.83Å; T436-V439 PolarHBondContact O-N 2.91Å; V439-M441 PolarHBondContact O-N 2.74Å; V439-N442 WeakPolarHBondContact O-CB 3.43Å; V439-N442 PolarHBondContact O-N 2.89Å; V439-N442 VanDerWaalsContact O-N 3.08Å; V439-L443 PolarHBondContact O-N 2.85Å; V439-W486 HydrophobicContact CG1-CE3 4.1Å; V439-W486 HydrophobicContact CG1-CZ3 3.98Å; V439-E490 HydrophobicContact CG1-CB 4.45Å; V439-E490 WeakPolarHBondContact CG1-OE2 3.21Å; V439-N493 HydrophobicContact CG1-CB 4.32Å; V439-L510 HydrophobicContact CG2-CD2 4.04Å; V439-L513 HydrophobicContact CG2-CD1 3.67Å
440H88.2Confident83.6Confident0 Ų057.8 Ų57.80%026%0.26CS..Hα-helixtrans-59.6-42.6176.3-16081.1000113.5T436 I437 K438 N442 L443 L444 E490 I648 W651T436-H440 VanDerWaalsContact O-CB 3.27Å; T436-H440 WeakPolarHBondContact O-CB 3.48Å; T436-H440 PolarHBondContact O-N 3.15Å; I437-H440 WeakPolarHBondContact O-CB 3.18Å; I437-H440 PolarHBondContact O-N 2.99Å; K438-H440 VanDerWaalsContact C-N 3.31Å; H440-N442 VanDerWaalsContact C-N 3.28Å; H440-N442 PolarHBondContact O-N 2.02Å; H440-L443 PolarHBondContact O-N 3.36Å; H440-L444 WeakPolarHBondContact O-CB 3.47Å; H440-L444 PolarHBondContact O-N 2.77Å; H440-E490 IonicContact CE1-OE1 3.96Å; H440-E490 IonicContact CG-OE1 3.74Å; H440-E490 IonicContact ND1-OE1 2.9Å; H440-E490 PolarHBondContact ND1-OE1 3.43Å; H440-I648 WeakPolarHBondContact CE1-CG2 3.18Å; H440-I648 WeakPolarHBondContact NE2-CG2 3.4Å; H440-W651 AromaticContact CD2-CZ3 3.9Å; H440-W651 AromaticContact CE1-CE3 3.17Å; H440-W651 AromaticContact CE1-CZ3 3.23Å; H440-W651 WeakPolarHBondContact CE1-CZ3 3.42Å; H440-W651 AromaticContact CG-CZ3 3.81Å; H440-W651 AromaticContact ND1-CE3 3.87Å; H440-W651 AromaticContact ND1-CZ3 3.43Å; H440-W651 WeakPolarHBondContact ND1-CZ3 3.09Å; H440-W651 AromaticContact NE2-CE3 3.42Å; H440-W651 AromaticContact NE2-CZ3 3.53Å
441M90Very high84.9Confident13 Ų1347.8 Ų47.86%0.06422%0.222CC..Hα-helixtrans-63.8-33.5175.6-69.5-51.8111.400112.5T421 Y425 I437 K438 V439 S445 Y652T421-M441 HydrophobicContact CG2-CE 4.23Å; Y425-M441 HydrophobicContact CD1-CG 3.67Å; Y425-M441 HydrophobicContact CD1-SD 3.95Å; Y425-M441 HydrophobicContact CD2-CG 4.14Å; Y425-M441 HydrophobicContact CD2-SD 4.26Å; Y425-M441 HydrophobicContact CE1-CG 3.87Å; Y425-M441 HydrophobicContact CE2-CG 4.33Å; Y425-M441 HydrophobicContact CG-CG 3.81Å; Y425-M441 HydrophobicContact CG-SD 3.68Å; I437-M441 HydrophobicContact CG2-CE 4.16Å; I437-M441 HydrophobicContact CG2-CG 4.41Å; I437-M441 VanDerWaalsContact O-CG 3.27Å; I437-M441 WeakPolarHBondContact O-CG 3.4Å; I437-M441 PolarHBondContact O-N 3.05Å; K438-M441 PolarHBondContact O-N 3.31Å; V439-M441 PolarHBondContact O-N 2.74Å; M441-S445 WeakPolarHBondContact O-CB 3.15Å; M441-S445 PolarHBondContact O-N 3.01Å; M441-S445 PolarHBondContact O-OG 2.05Å; M441-Y652 HydrophobicContact CE-CD2 3.94Å; M441-Y652 HydrophobicContact CE-CE2 3.81Å
442N93.2Very high86.6Confident39 Ų3940.8 Ų40.821%0.20920%0.196CC..Hα-helixtrans-71.2-42.6175-81-90.1000111.6K438 V439 H440 L444 S445 A446 W486 W518K438-N442 PolarHBondContact O-N 2.82Å; K438-N442 PolarHBondContact O-ND2 3.5Å; V439-N442 WeakPolarHBondContact O-CB 3.43Å; V439-N442 PolarHBondContact O-N 2.89Å; V439-N442 VanDerWaalsContact O-N 3.08Å; H440-N442 VanDerWaalsContact C-N 3.28Å; H440-N442 PolarHBondContact O-N 2.02Å; N442-L444 VanDerWaalsContact C-N 3.31Å; N442-L444 PolarHBondContact O-N 3.47Å; N442-S445 WeakPolarHBondContact O-CB 3.34Å; N442-S445 PolarHBondContact O-N 3.19Å; N442-A446 PolarHBondContact O-N 2.87Å; N442-W486 HydrophobicContact CB-CD2 3.69Å; N442-W486 HydrophobicContact CB-CE3 3.66Å; N442-W486 HydrophobicContact CB-CH2 3.42Å; N442-W486 VanDerWaalsContact CB-CH2 3.42Å; N442-W486 HydrophobicContact CB-CZ2 3.43Å; N442-W486 VanDerWaalsContact CB-CZ2 3.43Å; N442-W486 HydrophobicContact CB-CZ3 3.53Å; N442-W486 WeakPolarHBondContact OD1-CZ2 3.41Å; N442-W518 PolarHBondContact OD1-NE1 2.92Å
443L91.7Very high88.2Confident0 Ų040.3 Ų40.30%019%0.192CC..Hα-helixtrans-57.4-46.6172.6174.360.6000110.9V439 H440 S445 A446 V447 W486 M487 E490 L613 I648V439-L443 PolarHBondContact O-N 2.85Å; H440-L443 PolarHBondContact O-N 3.36Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.36Å; L443-A446 WeakPolarHBondContact O-CB 3.06Å; L443-A446 PolarHBondContact O-N 2.88Å; L443-A446 VanDerWaalsContact O-N 3.1Å; L443-V447 HydrophobicContact CD1-CG2 4.34Å; L443-V447 WeakPolarHBondContact O-CG2 3.49Å; L443-V447 PolarHBondContact O-N 3.47Å; L443-W486 HydrophobicContact CB-CB 4.07Å; L443-W486 HydrophobicContact CD1-CB 3.73Å; L443-M487 HydrophobicContact CD1-CG 3.72Å; L443-E490 HydrophobicContact CD2-CB 4.07Å; L443-E490 HydrophobicContact CD2-CG 4.05Å; L443-L613 HydrophobicContact CD2-CD2 3.92Å; L443-I648 HydrophobicContact CD2-CD1 3.98Å; L443-I648 HydrophobicContact CG-CD1 4.33Å
444L92.5Very high89.6Confident0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-63.9-35.6178.4-167.168.8000112.5C418 T421 I422 H440 N442 V447 F448 I648C418-L444 HydrophobicContact CB-CD1 3.87Å; C418-L444 HydrophobicContact CB-CD2 4.46Å; C418-L444 HydrophobicContact CB-CG 3.9Å; C418-L444 WeakPolarHBondContact SG-CD1 3.19Å; T421-L444 HydrophobicContact CG2-CD2 3.69Å; I422-L444 HydrophobicContact CD1-CD2 4.18Å; I422-L444 HydrophobicContact CD1-CG 4.19Å; I422-L444 HydrophobicContact CG1-CD2 3.59Å; I422-L444 HydrophobicContact CG1-CG 4.15Å; H440-L444 WeakPolarHBondContact O-CB 3.47Å; H440-L444 PolarHBondContact O-N 2.77Å; N442-L444 VanDerWaalsContact C-N 3.31Å; N442-L444 PolarHBondContact O-N 3.47Å; L444-V447 PolarHBondContact O-N 2.91Å; L444-F448 WeakPolarHBondContact O-CB 3.34Å; L444-F448 PolarHBondContact O-N 2.76Å; L444-I648 HydrophobicContact CD1-CG2 3.96Å
445S93.4Very high90.5Very high39 Ų3929.6 Ų29.627%0.27315%0.149SC..Hα-helixtrans-65.8-38.8172.9-57.90000111.5M441 N442 L443 F448 L449M441-S445 WeakPolarHBondContact O-CB 3.15Å; M441-S445 PolarHBondContact O-N 3.01Å; M441-S445 PolarHBondContact O-OG 2.05Å; N442-S445 WeakPolarHBondContact O-CB 3.34Å; N442-S445 PolarHBondContact O-N 3.19Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.36Å; S445-F448 PolarHBondContact O-N 2.78Å; S445-L449 VanDerWaalsContact O-CG 3.32Å; S445-L449 WeakPolarHBondContact O-CG 3.17Å; S445-L449 PolarHBondContact O-N 3.29Å
446A94.4Very high91.1Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-68.2-40.3175.600000112.3N442 L443 L449 L450 A482 C483 W486 W518N442-A446 PolarHBondContact O-N 2.87Å; L443-A446 WeakPolarHBondContact O-CB 3.06Å; L443-A446 PolarHBondContact O-N 2.88Å; L443-A446 VanDerWaalsContact O-N 3.1Å; A446-L449 PolarHBondContact O-N 2.98Å; A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 2.62Å; A446-A482 HydrophobicContact CB-CB 4.38Å; A446-C483 HydrophobicContact CB-CB 4.39Å; A446-W486 HydrophobicContact CB-CG 4.45Å; A446-W518 HydrophobicContact CB-CH2 3.91Å; A446-W518 HydrophobicContact CB-CZ3 4.42Å
447V92.7Very high91.3Very high4 Ų428.6 Ų28.62%0.02415%0.149CC..Hα-helixtrans-61.5-46.5172.6174.30000110.7L443 L444 L449 L450 D451 C483 I648L443-V447 HydrophobicContact CD1-CG2 4.34Å; L443-V447 WeakPolarHBondContact O-CG2 3.49Å; L443-V447 PolarHBondContact O-N 3.47Å; L444-V447 PolarHBondContact O-N 2.91Å; V447-L449 PolarHBondContact O-N 2.88Å; V447-L450 WeakPolarHBondContact O-CB 3.38Å; V447-L450 PolarHBondContact O-N 3.3Å; V447-L450 VanDerWaalsContact O-N 3.14Å; V447-D451 PolarHBondContact O-N 3.39Å; V447-C483 VanDerWaalsContact CG2-SG 3.55Å; V447-I648 HydrophobicContact CG2-CD1 4.47Å
448F94.6Very high91.2Very high65 Ų6530 Ų3029%0.28516%0.155SC..Hα-helixtrans-59.1-44.7176.5174-103.7000112.5A415 C418 V419 L444 S445 L450 D451 V452A415-F448 HydrophobicContact CB-CD2 4.28Å; A415-F448 HydrophobicContact CB-CE2 4.48Å; C418-F448 HydrophobicContact CB-CB 3.95Å; C418-F448 HydrophobicContact CB-CD2 4.3Å; V419-F448 HydrophobicContact CG2-CD2 3.92Å; V419-F448 HydrophobicContact CG2-CE2 3.46Å; V419-F448 VanDerWaalsContact CG2-CE2 3.46Å; V419-F448 HydrophobicContact CG2-CZ 4.15Å; L444-F448 WeakPolarHBondContact O-CB 3.34Å; L444-F448 PolarHBondContact O-N 2.76Å; S445-F448 PolarHBondContact O-N 2.78Å; F448-L450 VanDerWaalsContact C-N 3.3Å; F448-L450 PolarHBondContact O-N 2.87Å; F448-D451 PolarHBondContact O-N 3.44Å; F448-V452 HydrophobicContact CD1-CG2 4.46Å; F448-V452 HydrophobicContact CD2-CG2 4.09Å; F448-V452 HydrophobicContact CE1-CG2 4.05Å; F448-V452 HydrophobicContact CE2-CG2 3.63Å; F448-V452 HydrophobicContact CG-CG2 4.49Å; F448-V452 HydrophobicContact CZ-CG2 3.61Å; F448-V452 WeakPolarHBondContact O-CB 3.29Å; F448-V452 WeakPolarHBondContact O-CG2 3.25Å; F448-V452 PolarHBondContact O-N 3.24Å
449L94.9Very high91.1Very high63 Ų6329.9 Ų29.933%0.3316%0.16SC..Hα-helixtrans-62.5-38.1176.2-72.9175.1000112S445 A446 V447 S453 S479 W518S445-L449 VanDerWaalsContact O-CG 3.32Å; S445-L449 WeakPolarHBondContact O-CG 3.17Å; S445-L449 PolarHBondContact O-N 3.29Å; A446-L449 PolarHBondContact O-N 2.98Å; V447-L449 PolarHBondContact O-N 2.88Å; L449-S453 VanDerWaalsContact O-CB 3.22Å; L449-S453 WeakPolarHBondContact O-CB 3.48Å; L449-S453 PolarHBondContact O-N 2.88Å; L449-S453 PolarHBondContact O-OG 2.8Å; L449-S479 PolarHBondContact O-OG 2.94Å; L449-W518 HydrophobicContact CD1-CH2 3.74Å; L449-W518 HydrophobicContact CD1-CZ3 3.74Å
450L93.9Very high90.9Very high29 Ų2931.4 Ų31.415%0.15217%0.17CC..Hα-helixtrans-65.3-48.8175.817660.2000111.3A446 V447 F448 V452 S453 F454 L476 L480 C483A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 2.62Å; V447-L450 WeakPolarHBondContact O-CB 3.38Å; V447-L450 PolarHBondContact O-N 3.3Å; V447-L450 VanDerWaalsContact O-N 3.14Å; F448-L450 VanDerWaalsContact C-N 3.3Å; F448-L450 PolarHBondContact O-N 2.87Å; L450-V452 PolarHBondContact O-N 3.3Å; L450-S453 PolarHBondContact O-N 2.93Å; L450-F454 WeakPolarHBondContact O-CB 3.25Å; L450-F454 PolarHBondContact O-N 3.26Å; L450-L476 HydrophobicContact CD1-CD1 3.96Å; L450-L480 HydrophobicContact CD1-CB 4.09Å; L450-L480 HydrophobicContact CD1-CD1 4.33Å; L450-L480 HydrophobicContact CD2-CD1 4.29Å; L450-C483 HydrophobicContact CD2-CB 4.07Å
451D93.1Very high90.5Very high6 Ų632 Ų323%0.03218%0.175CC..Hα-helixtrans-59.8-47.7178.8-72.3-27.9000111C411 S414 A415 V447 F448 F454 L455C411-D451 HydrophobicContact CB-CB 4.25Å; C411-D451 PolarHBondContact SG-OD1 3.46Å; S414-D451 WeakPolarHBondContact CB-OD2 3.34Å; S414-D451 PolarHBondContact OG-OD2 3.3Å; A415-D451 HydrophobicContact CB-CB 4.04Å; A415-D451 PolarHBondContact N-OD2 3.47Å; V447-D451 PolarHBondContact O-N 3.39Å; F448-D451 PolarHBondContact O-N 3.44Å; D451-F454 PolarHBondContact O-N 3.18Å; D451-L455 WeakPolarHBondContact O-CB 3.46Å; D451-L455 WeakPolarHBondContact O-CG 3.42Å; D451-L455 PolarHBondContact O-N 3.08Å
452V93.5Very high90Very high47 Ų4736.3 Ų36.329%0.28520%0.197SC..Hα-helixtrans-63.9-43.8177.8172.10000111.4F448 L450 F454 L455 L456F448-V452 HydrophobicContact CD1-CG2 4.46Å; F448-V452 HydrophobicContact CD2-CG2 4.09Å; F448-V452 HydrophobicContact CE1-CG2 4.05Å; F448-V452 HydrophobicContact CE2-CG2 3.63Å; F448-V452 HydrophobicContact CG-CG2 4.49Å; F448-V452 HydrophobicContact CZ-CG2 3.61Å; F448-V452 WeakPolarHBondContact O-CB 3.29Å; F448-V452 WeakPolarHBondContact O-CG2 3.25Å; F448-V452 PolarHBondContact O-N 3.24Å; L450-V452 PolarHBondContact O-N 3.3Å; V452-F454 VanDerWaalsContact C-N 3.28Å; V452-F454 PolarHBondContact O-N 3.25Å; V452-L455 PolarHBondContact O-N 3.47Å; V452-L456 HydrophobicContact CG1-CD1 3.74Å; V452-L456 HydrophobicContact CG1-CG 4.28Å; V452-L456 WeakPolarHBondContact O-CB 3.38Å; V452-L456 VanDerWaalsContact O-CG 3.26Å; V452-L456 WeakPolarHBondContact O-CG 3.5Å; V452-L456 PolarHBondContact O-N 3.27Å
453S92.9Very high89.4Confident13 Ų1338.9 Ų38.99%0.09122%0.215CC..Hα-helixtrans-62.2-37.8177.7-61.30000111.6L449 L450 S457 S479L449-S453 VanDerWaalsContact O-CB 3.22Å; L449-S453 WeakPolarHBondContact O-CB 3.48Å; L449-S453 PolarHBondContact O-N 2.88Å; L449-S453 PolarHBondContact O-OG 2.8Å; L450-S453 PolarHBondContact O-N 2.93Å; S453-S457 PolarHBondContact O-N 3.12Å; S453-S457 VanDerWaalsContact O-N 3.17Å; S453-S479 PolarHBondContact OG-OG 3.04Å
454F90.2Very high88.6Confident59 Ų5942 Ų4226%0.25925%0.247SC..Hα-helixtrans-68.1-48.1177.5179.9-100.4000111C411 L450 D451 V452 L456 S457 L476C411-F454 HydrophobicContact CB-CD1 4.29Å; L450-F454 WeakPolarHBondContact O-CB 3.25Å; L450-F454 PolarHBondContact O-N 3.26Å; D451-F454 PolarHBondContact O-N 3.18Å; V452-F454 VanDerWaalsContact C-N 3.28Å; V452-F454 PolarHBondContact O-N 3.25Å; F454-L456 VanDerWaalsContact C-N 3.27Å; F454-L456 PolarHBondContact O-N 2.75Å; F454-S457 WeakPolarHBondContact O-CB 3.36Å; F454-S457 PolarHBondContact O-N 3.11Å; F454-S457 VanDerWaalsContact O-N 3.13Å; F454-S457 PolarHBondContact O-OG 2.97Å; F454-L476 HydrophobicContact CB-CD1 3.98Å
455L91Very high88.2Confident27 Ų2744.7 Ų44.714%0.14127%0.266CS..Hα-helixtrans-62.8-31178.7-68.8172.1000113.1Y408 C411 V412 D451 V452 P459Y408-L455 HydrophobicContact CD1-CD2 4.14Å; Y408-L455 HydrophobicContact CD2-CD2 3.62Å; Y408-L455 HydrophobicContact CE1-CD2 4.06Å; Y408-L455 HydrophobicContact CE2-CD2 3.53Å; Y408-L455 HydrophobicContact CG-CD2 3.92Å; C411-L455 HydrophobicContact CB-CD1 4.49Å; C411-L455 HydrophobicContact CB-CD2 4.18Å; C411-L455 HydrophobicContact CB-CG 4.23Å; V412-L455 HydrophobicContact CG2-CD1 3.98Å; V412-L455 HydrophobicContact CG2-CD2 3.83Å; D451-L455 WeakPolarHBondContact O-CB 3.46Å; D451-L455 WeakPolarHBondContact O-CG 3.42Å; D451-L455 PolarHBondContact O-N 3.08Å; V452-L455 PolarHBondContact O-N 3.47Å; L455-P459 WeakPolarHBondContact O-CD 3.49Å; L455-P459 WeakPolarHBondContact O-CG 3.28Å
456L90.6Very high87.8Confident91 Ų9148.6 Ų48.648%0.47628%0.28SS..Hα-helixtrans-81.9-20.1176.6-69.3175.4000113.5V452 F454 E458 P459 V460V452-L456 HydrophobicContact CG1-CD1 3.74Å; V452-L456 HydrophobicContact CG1-CG 4.28Å; V452-L456 WeakPolarHBondContact O-CB 3.38Å; V452-L456 VanDerWaalsContact O-CG 3.26Å; V452-L456 WeakPolarHBondContact O-CG 3.5Å; V452-L456 PolarHBondContact O-N 3.27Å; F454-L456 VanDerWaalsContact C-N 3.27Å; F454-L456 PolarHBondContact O-N 2.75Å; L456-E458 PolarHBondContact O-N 3.35Å; L456-P459 WeakPolarHBondContact O-CD 3.47Å; L456-V460 HydrophobicContact CB-CG2 4.48Å; L456-V460 VanDerWaalsContact O-CB 3.3Å; L456-V460 WeakPolarHBondContact O-CB 3.5Å; L456-V460 WeakPolarHBondContact O-CG2 3.32Å; L456-V460 PolarHBondContact O-N 3.43Å
457S85.7Confident87.4Confident7 Ų751.5 Ų51.55%0.04930%0.304CS..Hα-helixtrans-61.2-41.4-171.969.90000113.6S453 F454 A461S453-S457 PolarHBondContact O-N 3.12Å; S453-S457 VanDerWaalsContact O-N 3.17Å; F454-S457 WeakPolarHBondContact O-CB 3.36Å; F454-S457 PolarHBondContact O-N 3.11Å; F454-S457 VanDerWaalsContact O-N 3.13Å; F454-S457 PolarHBondContact O-OG 2.97Å; S457-A461 WeakPolarHBondContact O-CB 3.4Å; S457-A461 PolarHBondContact O-N 3.17Å; S457-A461 VanDerWaalsContact O-N 3.08Å
458E82Confident87.2Confident65 Ų6553 Ų5330%0.30432%0.316SS..Hα-helixtrans-73.5-51.4178.3171.7178.7-163.400112L456 V460 A461 L462L456-E458 PolarHBondContact O-N 3.35Å; E458-V460 VanDerWaalsContact C-N 3.27Å; E458-V460 PolarHBondContact O-N 2.85Å; E458-A461 WeakPolarHBondContact O-CB 3.32Å; E458-A461 PolarHBondContact O-N 3.29Å; E458-A461 VanDerWaalsContact O-N 3.1Å; E458-L462 HydrophobicContact CG-CD1 4.46Å; E458-L462 WeakPolarHBondContact O-CG 3.44Å; E458-L462 PolarHBondContact O-N 3.49Å
459P85.4Confident86.9Confident60 Ų6050 Ų5039%0.3930%0.304SS..Hα-helixtrans-53.6-41.8173.5-27.733.2000113.5L455 L456 L462 T463L455-P459 WeakPolarHBondContact O-CD 3.49Å; L455-P459 WeakPolarHBondContact O-CG 3.28Å; L456-P459 WeakPolarHBondContact O-CD 3.47Å; P459-L462 PolarHBondContact O-N 3.26Å; P459-T463 WeakPolarHBondContact O-CG2 3.46Å; P459-T463 PolarHBondContact O-N 3.31Å
460V85.5Confident86.7Confident33 Ų3350.1 Ų50.120%0.230%0.3CS..Hα-helixtrans-67.4-40.1178.5172.60000111.1L456 E458 L462 T463 A468L456-V460 HydrophobicContact CB-CG2 4.48Å; L456-V460 VanDerWaalsContact O-CB 3.3Å; L456-V460 WeakPolarHBondContact O-CB 3.5Å; L456-V460 WeakPolarHBondContact O-CG2 3.32Å; L456-V460 PolarHBondContact O-N 3.43Å; E458-V460 VanDerWaalsContact C-N 3.27Å; E458-V460 PolarHBondContact O-N 2.85Å; V460-L462 PolarHBondContact O-N 2.83Å; V460-T463 PolarHBondContact O-N 2.77Å; V460-T463 VanDerWaalsContact O-N 3.13Å; V460-T463 PolarHBondContact O-OG1 3.06Å; V460-A468 HydrophobicContact CG1-CB 3.76Å; V460-A468 WeakPolarHBondContact CG1-O 3.42Å
461A79.3Confident86.5Confident13 Ų1352.1 Ų52.111%0.10731%0.313CS..Hα-helixtrans-62.8-31.7176.500000112.6S457 E458 T463 S554S457-A461 WeakPolarHBondContact O-CB 3.4Å; S457-A461 PolarHBondContact O-N 3.17Å; S457-A461 VanDerWaalsContact O-N 3.08Å; E458-A461 WeakPolarHBondContact O-CB 3.32Å; E458-A461 PolarHBondContact O-N 3.29Å; E458-A461 VanDerWaalsContact O-N 3.1Å; A461-T463 VanDerWaalsContact C-N 3.34Å; A461-S554 WeakPolarHBondContact CB-O 3.33Å; A461-S554 VanDerWaalsContact CB-OG 3.26Å; A461-S554 WeakPolarHBondContact CB-OG 2.96Å
462L79Confident86.4Confident102 Ų10252.4 Ų52.453%0.53432%0.315SS..Hα-helixtrans-72.8-21.7176-67.3172000113.7E458 P459 V460 G464E458-L462 HydrophobicContact CG-CD1 4.46Å; E458-L462 WeakPolarHBondContact O-CG 3.44Å; E458-L462 PolarHBondContact O-N 3.49Å; P459-L462 PolarHBondContact O-N 3.26Å; V460-L462 PolarHBondContact O-N 2.83Å; L462-G464 PolarHBondContact O-N 2.82Å
463T81.6Confident86.3Confident94 Ų9450.1 Ų50.158%0.57730%0.302SS*.THydrogen-bonded Turntrans-68.6-15.1177.466.40000113.8P459 V460 A461 S465P459-T463 WeakPolarHBondContact O-CG2 3.46Å; P459-T463 PolarHBondContact O-N 3.31Å; V460-T463 PolarHBondContact O-N 2.77Å; V460-T463 VanDerWaalsContact O-N 3.13Å; V460-T463 PolarHBondContact O-OG1 3.06Å; A461-T463 VanDerWaalsContact C-N 3.34Å; T463-S465 PolarHBondContact O-N 2.89Å
464G74.7Confident86.2Confident66 Ų6651.6 Ų51.668%0.6831%0.307SS*.  trans72.80.4179.300000115.4L462 E466L462-G464 PolarHBondContact O-N 2.82Å; G464-E466 PolarHBondContact O-N 2.99Å
465S84.7Confident86.4Confident56 Ų5654.4 Ų54.439%0.39232%0.32SS..  trans-81.1111.8176.6174.60000111.1T463 A467 A468 C469T463-S465 PolarHBondContact O-N 2.89Å; S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 2.86Å; S465-A468 PolarHBondContact O-N 2.86Å; S465-A468 PolarHBondContact OG-N 2.86Å; S465-C469 PolarHBondContact O-N 2.82Å
466E83.5Confident86.5Confident121 Ų12153.8 Ų53.857%0.56532%0.317SS*.Hα-helixtrans-57.1-42177.4-69.4-169-179.100112.4G464 C469 R470G464-E466 PolarHBondContact O-N 2.99Å; E466-C469 PolarHBondContact O-N 2.82Å; E466-R470 WeakPolarHBondContact O-CG 3.16Å; E466-R470 PolarHBondContact O-N 2.8Å; E466-R470 IonicContact OE2-CZ 3.65Å; E466-R470 IonicContact OE2-NH1 3.87Å; E466-R470 IonicContact OE2-NH2 2.81Å; E466-R470 PolarHBondContact OE2-NH2 3.18Å
467A87Confident86.6Confident61 Ų6149.4 Ų49.450%0.50429%0.294SS..Hα-helixtrans-63.6-44.7179.800000111.2S465 C469 R470 T471S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 2.86Å; A467-C469 VanDerWaalsContact C-N 3.31Å; A467-C469 PolarHBondContact O-N 2.86Å; A467-R470 PolarHBondContact O-N 2.97Å; A467-T471 PolarHBondContact O-N 3Å; A467-T471 PolarHBondContact O-OG1 3.26Å; A467-T471 VanDerWaalsContact O-OG1 3.08Å
468A89Confident87.1Confident34 Ų3450.8 Ų50.828%0.28130%0.299SS..Hα-helixtrans-62.5-41.3177.500000111.3V460 S465 T471 S472V460-A468 HydrophobicContact CG1-CB 3.76Å; V460-A468 WeakPolarHBondContact CG1-O 3.42Å; S465-A468 PolarHBondContact O-N 2.86Å; S465-A468 PolarHBondContact OG-N 2.86Å; A468-T471 PolarHBondContact O-N 2.93Å; A468-S472 WeakPolarHBondContact O-CB 3.01Å; A468-S472 PolarHBondContact O-N 2.81Å
469C87.9Confident87.6Confident4 Ų447.8 Ų47.83%0.02729%0.285CS..Hα-helixtrans-65.2-44.2177.6-170.50000112.3S465 E466 A467 T471 S472 A473 C556S465-C469 PolarHBondContact O-N 2.82Å; E466-C469 PolarHBondContact O-N 2.82Å; A467-C469 VanDerWaalsContact C-N 3.31Å; A467-C469 PolarHBondContact O-N 2.86Å; C469-T471 PolarHBondContact O-N 3.49Å; C469-S472 PolarHBondContact O-N 2.93Å; C469-A473 WeakPolarHBondContact O-CB 3.28Å; C469-A473 PolarHBondContact O-N 3.33Å; C469-C556 WeakPolarHBondContact CA-SG 3.5Å; C469-C556 HydrophobicContact CB-CB 4.14Å; C469-C556 WeakPolarHBondContact CB-SG 3.46Å; C469-C556 VanDerWaalsContact O-CB 3.3Å; C469-C556 WeakPolarHBondContact O-CB 3.01Å; C469-C556 VanDerWaalsContact SG-CA 3.57Å; C469-C556 WeakPolarHBondContact SG-CB 3.42Å; C469-C556 CovalentContact SG-SG 2.03Å; C469-C556 PolarHBondContact SG-SG 2.91Å
470R89.6Confident87.9Confident65 Ų6546.1 Ų46.125%0.24527%0.273CS..Hα-helixtrans-58.2-48.5174.2-74.5-178.5-169.3130.715.3111.4E466 A467 S472 A473 M474 Y536E466-R470 WeakPolarHBondContact O-CG 3.16Å; E466-R470 PolarHBondContact O-N 2.8Å; E466-R470 IonicContact OE2-CZ 3.65Å; E466-R470 IonicContact OE2-NH1 3.87Å; E466-R470 IonicContact OE2-NH2 2.81Å; E466-R470 PolarHBondContact OE2-NH2 3.18Å; A467-R470 PolarHBondContact O-N 2.97Å; R470-S472 PolarHBondContact O-N 2.59Å; R470-A473 PolarHBondContact O-N 2.75Å; R470-M474 HydrophobicContact CB-CE 4.43Å; R470-M474 VanDerWaalsContact O-CG 3.31Å; R470-M474 WeakPolarHBondContact O-CG 3.36Å; R470-M474 PolarHBondContact O-N 2.98Å; R470-Y536 WeakPolarHBondContact CG-O 3.42Å
471T90.6Very high88.3Confident70 Ų7044.6 Ų44.643%0.42926%0.263SS..Hα-helixtrans-61.6-44.9178.1-59.80000111.6A467 A468 C469 A473 M474 F475A467-T471 PolarHBondContact O-N 3Å; A467-T471 PolarHBondContact O-OG1 3.26Å; A467-T471 VanDerWaalsContact O-OG1 3.08Å; A468-T471 PolarHBondContact O-N 2.93Å; C469-T471 PolarHBondContact O-N 3.49Å; T471-A473 VanDerWaalsContact C-N 3.34Å; T471-A473 PolarHBondContact O-N 3.03Å; T471-M474 PolarHBondContact O-N 3.22Å; T471-F475 HydrophobicContact CG2-CD2 3.69Å; T471-F475 HydrophobicContact CG2-CE2 3.6Å; T471-F475 VanDerWaalsContact O-CD2 3.28Å; T471-F475 WeakPolarHBondContact O-CD2 3.4Å; T471-F475 PolarHBondContact O-N 2.99Å
472S91.2Very high89Confident12 Ų1244 Ų448%0.08426%0.258CS..Hα-helixtrans-61.1-40.8176.5-171.90000112.4A468 C469 R470 F475 L476A468-S472 WeakPolarHBondContact O-CB 3.01Å; A468-S472 PolarHBondContact O-N 2.81Å; C469-S472 PolarHBondContact O-N 2.93Å; R470-S472 PolarHBondContact O-N 2.59Å; S472-F475 PolarHBondContact O-N 3.23Å; S472-L476 WeakPolarHBondContact O-CB 3.26Å; S472-L476 PolarHBondContact O-N 3.01Å
473A90.4Very high89.7Confident0 Ų039.1 Ų39.10%023%0.233CC..Hα-helixtrans-65.3-39.817700000111.9C469 R470 T471 L476 H477 Y536 C556C469-A473 WeakPolarHBondContact O-CB 3.28Å; C469-A473 PolarHBondContact O-N 3.33Å; R470-A473 PolarHBondContact O-N 2.75Å; T471-A473 VanDerWaalsContact C-N 3.34Å; T471-A473 PolarHBondContact O-N 3.03Å; A473-L476 PolarHBondContact O-N 3.13Å; A473-H477 WeakPolarHBondContact O-CB 3.42Å; A473-H477 PolarHBondContact O-N 2.93Å; A473-Y536 HydrophobicContact CB-CD1 3.86Å; A473-Y536 HydrophobicContact CB-CG 4.4Å; A473-C556 HydrophobicContact CB-CB 4.1Å
474M92Very high90.1Very high43 Ų4334.8 Ų34.821%0.21221%0.206CC..Hα-helixtrans-63.4-44.7174.3-68.2170.4-168.900111.7R470 T471 H477 F478 V525 A529 V533 Y536R470-M474 HydrophobicContact CB-CE 4.43Å; R470-M474 VanDerWaalsContact O-CG 3.31Å; R470-M474 WeakPolarHBondContact O-CG 3.36Å; R470-M474 PolarHBondContact O-N 2.98Å; T471-M474 PolarHBondContact O-N 3.22Å; M474-H477 PolarHBondContact O-N 2.93Å; M474-F478 VanDerWaalsContact O-CB 3.31Å; M474-F478 WeakPolarHBondContact O-CB 3.26Å; M474-F478 PolarHBondContact O-N 2.56Å; M474-V525 HydrophobicContact CB-CG1 4.12Å; M474-V525 HydrophobicContact CG-CG1 4.42Å; M474-A529 HydrophobicContact CE-CB 4.18Å; M474-V533 HydrophobicContact CE-CG2 3.45Å; M474-V533 VanDerWaalsContact CE-CG2 3.45Å; M474-Y536 HydrophobicContact CE-CD2 3.75Å; M474-Y536 HydrophobicContact CE-CE2 4.36Å; M474-Y536 HydrophobicContact CE-CG 4.34Å; M474-Y536 HydrophobicContact CG-CD1 4.26Å; M474-Y536 HydrophobicContact CG-CD2 3.84Å; M474-Y536 HydrophobicContact CG-CE1 4.39Å; M474-Y536 HydrophobicContact CG-CE2 3.97Å; M474-Y536 HydrophobicContact CG-CG 3.99Å
475F94.1Very high91Very high119 Ų11932.5 Ų32.552%0.52218%0.18SC..Hα-helixtrans-63.9-40.1176.5-88.3-72.2000112.5T471 S472 F478 S479T471-F475 HydrophobicContact CG2-CD2 3.69Å; T471-F475 HydrophobicContact CG2-CE2 3.6Å; T471-F475 VanDerWaalsContact O-CD2 3.28Å; T471-F475 WeakPolarHBondContact O-CD2 3.4Å; T471-F475 PolarHBondContact O-N 2.99Å; S472-F475 PolarHBondContact O-N 3.23Å; F475-F478 PolarHBondContact O-N 2.87Å; F475-S479 WeakPolarHBondContact O-CB 3.32Å; F475-S479 PolarHBondContact O-N 2.75Å; F475-S479 PolarHBondContact O-OG 3.3Å
476L92.6Very high91.4Very high13 Ų1329.9 Ų29.97%0.06816%0.161CC..Hα-helixtrans-64.9-44.9176.3-172.460.6000111.1L450 F454 S472 A473 S479 L480 W557L450-L476 HydrophobicContact CD1-CD1 3.96Å; F454-L476 HydrophobicContact CB-CD1 3.98Å; S472-L476 WeakPolarHBondContact O-CB 3.26Å; S472-L476 PolarHBondContact O-N 3.01Å; A473-L476 PolarHBondContact O-N 3.13Å; L476-S479 PolarHBondContact O-N 3.14Å; L476-L480 WeakPolarHBondContact O-CB 3.16Å; L476-L480 PolarHBondContact O-N 2.91Å; L476-W557 HydrophobicContact CB-CE3 4.43Å; L476-W557 HydrophobicContact CB-CZ3 4.12Å; L476-W557 HydrophobicContact CD2-CE3 3.59Å; L476-W557 HydrophobicContact CD2-CZ3 3.73Å; L476-W557 HydrophobicContact CG-CE3 4Å; L476-W557 HydrophobicContact CG-CZ3 3.61Å
477H92.9Very high91.7Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-63.5-45.4175.9-173.6-150.1000111.5A473 M474 S479 L480 L481 V525 Y536 W557 T567 N568A473-H477 WeakPolarHBondContact O-CB 3.42Å; A473-H477 PolarHBondContact O-N 2.93Å; M474-H477 PolarHBondContact O-N 2.93Å; H477-S479 PolarHBondContact O-N 3.48Å; H477-L480 PolarHBondContact O-N 3.27Å; H477-L481 WeakPolarHBondContact O-CG 3.45Å; H477-L481 PolarHBondContact O-N 3.15Å; H477-V525 HydrophobicContact CB-CG2 4.36Å; H477-Y536 HydrophobicContact CB-CE1 4.24Å; H477-Y536 AromaticContact ND1-CE1 3.86Å; H477-Y536 AromaticContact ND1-CZ 3.83Å; H477-Y536 PolarHBondContact ND1-OH 2.8Å; H477-W557 HydrophobicContact CB-CZ3 4.42Å; H477-T567 PolarHBondContact NE2-OG1 3.47Å; H477-N568 PolarHBondContact CD2-OD1 3.43Å; H477-N568 PolarHBondContact NE2-OD1 2.97Å
478F95Very high91.9Very high36 Ų3621.6 Ų21.616%0.15811%0.114CC..Hα-helixtrans-58-49.6175.6161.9-107.6000112M474 F475 L480 L481 A482 W518 P521 V522 V525M474-F478 VanDerWaalsContact O-CB 3.31Å; M474-F478 WeakPolarHBondContact O-CB 3.26Å; M474-F478 PolarHBondContact O-N 2.56Å; F475-F478 PolarHBondContact O-N 2.87Å; F478-L480 VanDerWaalsContact C-N 3.31Å; F478-L480 PolarHBondContact O-N 2.92Å; F478-L481 PolarHBondContact O-N 3.1Å; F478-A482 HydrophobicContact CE2-CB 4.36Å; F478-A482 HydrophobicContact CZ-CB 4.48Å; F478-A482 WeakPolarHBondContact O-CB 3.42Å; F478-A482 PolarHBondContact O-N 2.95Å; F478-W518 HydrophobicContact CE1-CZ3 4.38Å; F478-W518 HydrophobicContact CE2-CE3 4.32Å; F478-W518 AromaticContact CZ-CE3 3.7Å; F478-W518 HydrophobicContact CZ-CE3 3.7Å; F478-W518 AromaticContact CZ-CZ3 3.93Å; F478-W518 HydrophobicContact CZ-CZ3 3.93Å; F478-P521 HydrophobicContact CD2-CB 3.72Å; F478-P521 HydrophobicContact CE2-CB 3.87Å; F478-V522 HydrophobicContact CD2-CG2 4Å; F478-V522 HydrophobicContact CE2-CG2 3.53Å; F478-V522 HydrophobicContact CZ-CG2 4.33Å; F478-V525 HydrophobicContact CB-CG2 3.96Å
479S94.3Very high92.1Very high1 Ų121 Ų211%0.00711%0.106CC..Hα-helixtrans-64-38.3-178.6-55.50000111.7L449 S453 F475 L476 H477 A482 C483L449-S479 PolarHBondContact O-OG 2.94Å; S453-S479 PolarHBondContact OG-OG 3.04Å; F475-S479 WeakPolarHBondContact O-CB 3.32Å; F475-S479 PolarHBondContact O-N 2.75Å; F475-S479 PolarHBondContact O-OG 3.3Å; L476-S479 PolarHBondContact O-N 3.14Å; H477-S479 PolarHBondContact O-N 3.48Å; S479-A482 PolarHBondContact O-N 2.8Å; S479-C483 VanDerWaalsContact O-CB 3.24Å; S479-C483 WeakPolarHBondContact O-CB 3.3Å; S479-C483 PolarHBondContact O-N 2.77Å
480L92Very high92.2Very high25 Ų2520.8 Ų20.813%0.13111%0.105CC..Hα-helixtrans-60.6-51.4173.9-17971.8000111.1L450 L476 H477 F478 A482 C483 L484 W557 F572L450-L480 HydrophobicContact CD1-CB 4.09Å; L450-L480 HydrophobicContact CD1-CD1 4.33Å; L450-L480 HydrophobicContact CD2-CD1 4.29Å; L476-L480 WeakPolarHBondContact O-CB 3.16Å; L476-L480 PolarHBondContact O-N 2.91Å; H477-L480 PolarHBondContact O-N 3.27Å; F478-L480 VanDerWaalsContact C-N 3.31Å; F478-L480 PolarHBondContact O-N 2.92Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 3.23Å; L480-C483 WeakPolarHBondContact O-CB 3.42Å; L480-C483 PolarHBondContact O-N 2.87Å; L480-L484 WeakPolarHBondContact O-CG 3.38Å; L480-L484 PolarHBondContact O-N 3.06Å; L480-W557 HydrophobicContact CD2-CH2 3.74Å; L480-W557 HydrophobicContact CD2-CZ2 4.34Å; L480-F572 HydrophobicContact CD1-CE1 4.19Å; L480-F572 HydrophobicContact CD1-CZ 4.11Å; L480-F572 HydrophobicContact CD2-CE1 4.41Å; L480-F572 HydrophobicContact CD2-CZ 3.88Å; L480-F572 HydrophobicContact CG-CE1 4.37Å; L480-F572 HydrophobicContact CG-CZ 4.27Å
481L93.2Very high92.2Very high1 Ų117.9 Ų17.91%0.00510%0.095CC..Hα-helixtrans-64.1-38.1179.4-66.4-171.8000112.5H477 F478 L484 S485 P521 L524 V525 L571H477-L481 WeakPolarHBondContact O-CG 3.45Å; H477-L481 PolarHBondContact O-N 3.15Å; F478-L481 PolarHBondContact O-N 3.1Å; L481-L484 HydrophobicContact CD2-CD1 4.26Å; L481-L484 PolarHBondContact O-N 2.94Å; L481-S485 WeakPolarHBondContact O-CB 3.5Å; L481-S485 PolarHBondContact O-N 2.86Å; L481-S485 PolarHBondContact O-OG 2.97Å; L481-P521 HydrophobicContact CB-CB 3.8Å; L481-P521 HydrophobicContact CB-CG 4.17Å; L481-L524 HydrophobicContact CD1-CB 3.9Å; L481-L524 HydrophobicContact CD1-CD1 4.01Å; L481-V525 HydrophobicContact CD1-CG2 4.08Å; L481-L571 HydrophobicContact CD1-CD1 4.49Å; L481-L571 HydrophobicContact CD2-CD1 3.51Å
482A94.6Very high92.1Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-64.6-43.7174.700000111.3A446 F478 S479 L480 L484 S485 W486 W518 P521A446-A482 HydrophobicContact CB-CB 4.38Å; F478-A482 HydrophobicContact CE2-CB 4.36Å; F478-A482 HydrophobicContact CZ-CB 4.48Å; F478-A482 WeakPolarHBondContact O-CB 3.42Å; F478-A482 PolarHBondContact O-N 2.95Å; S479-A482 PolarHBondContact O-N 2.8Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 3.23Å; A482-L484 PolarHBondContact O-N 2.82Å; A482-S485 PolarHBondContact O-N 2.93Å; A482-W486 PolarHBondContact O-N 3.4Å; A482-W518 HydrophobicContact CB-CE3 3.92Å; A482-W518 HydrophobicContact CB-CZ3 3.79Å; A482-P521 VanDerWaalsContact CA-CG 3.45Å; A482-P521 HydrophobicContact CB-CB 4.2Å; A482-P521 HydrophobicContact CB-CG 3.94Å
483C92.4Very high92Very high1 Ų117.8 Ų17.81%0.0079%0.086CC..Hα-helixtrans-58.7-48.5176.2-160.30000110.8A446 V447 L450 S479 L480 S485 W486 M487A446-C483 HydrophobicContact CB-CB 4.39Å; V447-C483 VanDerWaalsContact CG2-SG 3.55Å; L450-C483 HydrophobicContact CD2-CB 4.07Å; S479-C483 VanDerWaalsContact O-CB 3.24Å; S479-C483 WeakPolarHBondContact O-CB 3.3Å; S479-C483 PolarHBondContact O-N 2.77Å; L480-C483 WeakPolarHBondContact O-CB 3.42Å; L480-C483 PolarHBondContact O-N 2.87Å; C483-S485 PolarHBondContact O-N 3.49Å; C483-W486 PolarHBondContact O-N 3.04Å; C483-M487 HydrophobicContact CB-CE 4.27Å; C483-M487 VanDerWaalsContact O-CG 3.29Å; C483-M487 WeakPolarHBondContact O-CG 3.29Å; C483-M487 PolarHBondContact O-N 2.93Å; C483-M487 WeakPolarHBondContact SG-CE 3.32Å
484L90.7Very high91.8Very high2 Ų217.9 Ų17.91%0.019%0.087CC..Hα-helixtrans-59.5-45.1175.4-68.9174.2000113.6L480 L481 A482 W486 M487 G488 L571 F572 V575 W617L480-L484 WeakPolarHBondContact O-CG 3.38Å; L480-L484 PolarHBondContact O-N 3.06Å; L481-L484 HydrophobicContact CD2-CD1 4.26Å; L481-L484 PolarHBondContact O-N 2.94Å; A482-L484 PolarHBondContact O-N 2.82Å; L484-W486 VanDerWaalsContact C-N 3.33Å; L484-W486 PolarHBondContact O-N 3.05Å; L484-M487 PolarHBondContact O-N 2.91Å; L484-G488 PolarHBondContact O-N 2.79Å; L484-L571 HydrophobicContact CD1-CB 4.4Å; L484-F572 HydrophobicContact CD1-CD1 3.29Å; L484-F572 HydrophobicContact CD1-CE1 3.27Å; L484-F572 HydrophobicContact CD1-CG 4.41Å; L484-F572 HydrophobicContact CD1-CZ 4.37Å; L484-F572 HydrophobicContact CD2-CD1 3.4Å; L484-F572 HydrophobicContact CD2-CE1 3.56Å; L484-F572 HydrophobicContact CG-CD1 3.87Å; L484-F572 HydrophobicContact CG-CE1 3.76Å; L484-V575 HydrophobicContact CB-CG2 4.4Å; L484-W617 HydrophobicContact CD2-CD2 4.28Å; L484-W617 HydrophobicContact CD2-CE3 4.39Å; L484-W617 HydrophobicContact CD2-CH2 3.53Å; L484-W617 HydrophobicContact CD2-CZ2 3.36Å; L484-W617 HydrophobicContact CD2-CZ3 4.05Å
485S93.1Very high91.5Very high19 Ų1918.4 Ų18.413%0.1339%0.087CC..Hα-helixtrans-60.9-47179.6-58.10000109.8L481 A482 C483 M487 G488 L489L481-S485 WeakPolarHBondContact O-CB 3.5Å; L481-S485 PolarHBondContact O-N 2.86Å; L481-S485 PolarHBondContact O-OG 2.97Å; A482-S485 PolarHBondContact O-N 2.93Å; C483-S485 PolarHBondContact O-N 3.49Å; S485-M487 PolarHBondContact O-N 2.96Å; S485-G488 PolarHBondContact O-N 3.42Å; S485-L489 VanDerWaalsContact O-CG 3.3Å; S485-L489 WeakPolarHBondContact O-CG 3.45Å; S485-L489 PolarHBondContact O-N 3.13Å
486W93.7Very high91.1Very high0 Ų014.3 Ų14.30%07%0.068CC..Hα-helixtrans-67.1-32176.3-79108.8000113.7V439 N442 L443 A446 A482 C483 L484 L489 E490 L513 W518V439-W486 HydrophobicContact CG1-CE3 4.1Å; V439-W486 HydrophobicContact CG1-CZ3 3.98Å; N442-W486 HydrophobicContact CB-CD2 3.69Å; N442-W486 HydrophobicContact CB-CE3 3.66Å; N442-W486 HydrophobicContact CB-CH2 3.42Å; N442-W486 VanDerWaalsContact CB-CH2 3.42Å; N442-W486 HydrophobicContact CB-CZ2 3.43Å; N442-W486 VanDerWaalsContact CB-CZ2 3.43Å; N442-W486 HydrophobicContact CB-CZ3 3.53Å; N442-W486 WeakPolarHBondContact OD1-CZ2 3.41Å; L443-W486 HydrophobicContact CB-CB 4.07Å; L443-W486 HydrophobicContact CD1-CB 3.73Å; A446-W486 HydrophobicContact CB-CG 4.45Å; A482-W486 PolarHBondContact O-N 3.4Å; C483-W486 PolarHBondContact O-N 3.04Å; L484-W486 VanDerWaalsContact C-N 3.33Å; L484-W486 PolarHBondContact O-N 3.05Å; W486-L489 HydrophobicContact CD2-CD1 4.4Å; W486-L489 HydrophobicContact CE3-CB 4.27Å; W486-L489 HydrophobicContact CE3-CD1 4.05Å; W486-L489 HydrophobicContact CZ3-CD1 4.13Å; W486-L489 PolarHBondContact O-N 2.79Å; W486-E490 VanDerWaalsContact O-CB 3.32Å; W486-E490 WeakPolarHBondContact O-CB 3.22Å; W486-E490 PolarHBondContact O-N 2.89Å; W486-L513 HydrophobicContact CH2-CB 4.38Å; W486-W518 AromaticContact CE2-CD1 3.96Å; W486-W518 AromaticContact CE2-CE2 3.95Å; W486-W518 AromaticContact CE2-NE1 3.55Å; W486-W518 AromaticContact CZ2-CD1 3.56Å; W486-W518 HydrophobicContact CZ2-CG 4.49Å; W486-W518 AromaticContact CZ2-NE1 3.31Å; W486-W518 VanDerWaalsContact CZ2-NE1 3.31Å; W486-W518 AromaticContact NE1-CD1 3.71Å; W486-W518 AromaticContact NE1-CD2 3.61Å; W486-W518 AromaticContact NE1-CE2 3.22Å; W486-W518 AromaticContact NE1-CG 3.92Å; W486-W518 AromaticContact NE1-CZ2 3.61Å; W486-W518 AromaticContact NE1-NE1 3.29Å
487M90.5Very high90.5Very high2 Ų217.7 Ų17.71%0.019%0.085CC..Hα-helixtrans-65.2-41.6172.7-72.8-175.4-146.400112L443 C483 L484 S485 G491 N579 L613 W617 Q644L443-M487 HydrophobicContact CD1-CG 3.72Å; C483-M487 HydrophobicContact CB-CE 4.27Å; C483-M487 VanDerWaalsContact O-CG 3.29Å; C483-M487 WeakPolarHBondContact O-CG 3.29Å; C483-M487 PolarHBondContact O-N 2.93Å; C483-M487 WeakPolarHBondContact SG-CE 3.32Å; L484-M487 PolarHBondContact O-N 2.91Å; S485-M487 PolarHBondContact O-N 2.96Å; M487-G491 PolarHBondContact O-N 3.17Å; M487-N579 PolarHBondContact O-ND2 3.46Å; M487-L613 HydrophobicContact CB-CD2 4.2Å; M487-L613 HydrophobicContact CG-CD2 3.87Å; M487-W617 HydrophobicContact CE-CZ2 3.69Å; M487-W617 HydrophobicContact SD-CZ2 3.59Å; M487-W617 VanDerWaalsContact SD-CZ2 3.59Å; M487-W617 PolarHBondContact SD-NE1 3.14Å; M487-Q644 VanDerWaalsContact CE-CD 3.45Å; M487-Q644 PolarHBondContact SD-NE2 3.22Å
488G91Very high89.8Confident7 Ų718.5 Ų18.57%0.0729%0.09CC..Hα-helixtrans-62.9-43.7172.700000111.9L484 S485 G491 Y492 F578L484-G488 PolarHBondContact O-N 2.79Å; S485-G488 PolarHBondContact O-N 3.42Å; G488-G491 PolarHBondContact O-N 3.17Å; G488-Y492 PolarHBondContact O-N 3.05Å; G488-F578 WeakPolarHBondContact O-CE1 3.36Å
489L92.7Very high89Confident21 Ų2118.8 Ų18.811%0.1110%0.095CC..Hα-helixtrans-67-36.3177.9-66.7-177.8000113S485 W486 Y492 N493 L513 V516S485-L489 VanDerWaalsContact O-CG 3.3Å; S485-L489 WeakPolarHBondContact O-CG 3.45Å; S485-L489 PolarHBondContact O-N 3.13Å; W486-L489 HydrophobicContact CD2-CD1 4.4Å; W486-L489 HydrophobicContact CE3-CB 4.27Å; W486-L489 HydrophobicContact CE3-CD1 4.05Å; W486-L489 HydrophobicContact CZ3-CD1 4.13Å; W486-L489 PolarHBondContact O-N 2.79Å; L489-Y492 PolarHBondContact O-N 3.37Å; L489-N493 WeakPolarHBondContact O-CB 3.37Å; L489-N493 PolarHBondContact O-N 3.11Å; L489-L513 HydrophobicContact CD1-CB 4.24Å; L489-L513 HydrophobicContact CD1-CD2 4.18Å; L489-L513 VanDerWaalsContact CD1-O 3.3Å; L489-L513 WeakPolarHBondContact CD1-O 3.34Å; L489-L513 HydrophobicContact CD2-CD2 3.72Å; L489-L513 HydrophobicContact CG-CD2 4.35Å; L489-V516 HydrophobicContact CD1-CB 4.48Å; L489-V516 HydrophobicContact CD1-CG1 4.48Å; L489-V516 HydrophobicContact CD2-CG1 4.28Å
490E90Very high88Confident0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-65.9-43.3173.4-175.575.1158.900110.4V439 H440 L443 W486 Y492 N493 L494 L613V439-E490 HydrophobicContact CG1-CB 4.45Å; V439-E490 WeakPolarHBondContact CG1-OE2 3.21Å; H440-E490 IonicContact CE1-OE1 3.96Å; H440-E490 IonicContact CG-OE1 3.74Å; H440-E490 IonicContact ND1-OE1 2.9Å; H440-E490 PolarHBondContact ND1-OE1 3.43Å; L443-E490 HydrophobicContact CD2-CB 4.07Å; L443-E490 HydrophobicContact CD2-CG 4.05Å; W486-E490 VanDerWaalsContact O-CB 3.32Å; W486-E490 WeakPolarHBondContact O-CB 3.22Å; W486-E490 PolarHBondContact O-N 2.89Å; E490-Y492 VanDerWaalsContact C-N 3.33Å; E490-Y492 PolarHBondContact O-N 2.92Å; E490-N493 WeakPolarHBondContact O-CB 3.49Å; E490-N493 PolarHBondContact O-N 3.07Å; E490-N493 VanDerWaalsContact O-N 3.13Å; E490-L494 WeakPolarHBondContact O-CG 3.28Å; E490-L494 PolarHBondContact O-N 3.36Å; E490-L613 HydrophobicContact CB-CD1 4.18Å; E490-L613 HydrophobicContact CG-CD1 3.83Å
491G89.3Confident86.7Confident4 Ų425.7 Ų25.74%0.04113%0.133CC..Hα-helixtrans-59.8-41173.500000113M487 G488 L494 Y495 N579M487-G491 PolarHBondContact O-N 3.17Å; G488-G491 PolarHBondContact O-N 3.17Å; G491-L494 PolarHBondContact O-N 2.99Å; G491-Y495 PolarHBondContact O-N 3.4Å; G491-Y495 VanDerWaalsContact O-N 3.08Å; G491-N579 WeakPolarHBondContact CA-OD1 3.37Å
492Y89.6Confident84.7Confident72 Ų7235 Ų3528%0.28217%0.174SC..Hα-helixtrans-64.3-41.7171.9177.5-113.8000112.6G488 L489 E490 Y495 R496 Y509 F578 M582G488-Y492 PolarHBondContact O-N 3.05Å; L489-Y492 PolarHBondContact O-N 3.37Å; E490-Y492 VanDerWaalsContact C-N 3.33Å; E490-Y492 PolarHBondContact O-N 2.92Å; Y492-Y495 HydrophobicContact CD2-CD1 4.48Å; Y492-Y495 HydrophobicContact CE2-CD1 4.49Å; Y492-Y495 WeakPolarHBondContact O-CB 3.48Å; Y492-Y495 PolarHBondContact O-N 3Å; Y492-R496 HydrophobicContact CE1-CG 4.17Å; Y492-R496 HydrophobicContact CE2-CG 4.08Å; Y492-R496 PolarHBondContact O-N 3.03Å; Y492-Y509 HydrophobicContact CE1-CE2 4.42Å; Y492-F578 HydrophobicContact CD2-CZ 4.25Å; Y492-F578 HydrophobicContact CG-CZ 4.49Å; Y492-M582 HydrophobicContact CD2-CE 4.03Å
493N88.2Confident82.8Confident8 Ų838.6 Ų38.64%0.04321%0.21CC..Hα-helixtrans-63.3-41.1177.2179.369.3000111.8T436 V439 L489 E490 R496 L497T436-N493 WeakPolarHBondContact CA-ND2 3.32Å; T436-N493 PolarHBondContact OG1-ND2 2.92Å; V439-N493 HydrophobicContact CG1-CB 4.32Å; L489-N493 WeakPolarHBondContact O-CB 3.37Å; L489-N493 PolarHBondContact O-N 3.11Å; E490-N493 WeakPolarHBondContact O-CB 3.49Å; E490-N493 PolarHBondContact O-N 3.07Å; E490-N493 VanDerWaalsContact O-N 3.13Å; N493-R496 PolarHBondContact O-N 3.41Å; N493-L497 PolarHBondContact O-N 3.41Å
494L85.4Confident81.1Confident2 Ų242.1 Ų42.11%0.0123%0.232CC..Hα-helixtrans-62.2-42.8174.2-70.2174.8000112.1E490 G491 L497 V498 M586 L606 L609 L613E490-L494 WeakPolarHBondContact O-CG 3.28Å; E490-L494 PolarHBondContact O-N 3.36Å; G491-L494 PolarHBondContact O-N 2.99Å; L494-L497 WeakPolarHBondContact O-CB 3.37Å; L494-L497 PolarHBondContact O-N 3.22Å; L494-V498 PolarHBondContact O-N 3.06Å; L494-M586 HydrophobicContact CB-SD 4.41Å; L494-L606 HydrophobicContact CD2-CD2 3.72Å; L494-L609 HydrophobicContact CD1-CD2 3.99Å; L494-L609 HydrophobicContact CD1-CG 4.24Å; L494-L609 HydrophobicContact CD2-CD2 4.19Å; L494-L613 HydrophobicContact CD1-CD1 4.09Å
495Y86Confident79.9Confident53 Ų5350.3 Ų50.321%0.20826%0.264CS..Hα-helixtrans-59.7-48.3173.8163.2-94.3000112.3G491 Y492 L497 V498 V499 M582 T585G491-Y495 PolarHBondContact O-N 3.4Å; G491-Y495 VanDerWaalsContact O-N 3.08Å; Y492-Y495 HydrophobicContact CD2-CD1 4.48Å; Y492-Y495 HydrophobicContact CE2-CD1 4.49Å; Y492-Y495 WeakPolarHBondContact O-CB 3.48Å; Y492-Y495 PolarHBondContact O-N 3Å; Y495-L497 VanDerWaalsContact C-N 3.26Å; Y495-L497 PolarHBondContact O-N 3.35Å; Y495-V498 PolarHBondContact O-N 3.03Å; Y495-V498 VanDerWaalsContact O-N 3.13Å; Y495-V499 HydrophobicContact CD2-CB 4.06Å; Y495-V499 HydrophobicContact CD2-CG2 3.56Å; Y495-V499 HydrophobicContact CE1-CB 4.38Å; Y495-V499 HydrophobicContact CE2-CB 3.74Å; Y495-V499 HydrophobicContact CE2-CG1 3.89Å; Y495-V499 HydrophobicContact CE2-CG2 3.5Å; Y495-V499 VanDerWaalsContact CE2-CG2 3.5Å; Y495-V499 HydrophobicContact CG-CG2 4.33Å; Y495-V499 WeakPolarHBondContact O-CB 3.21Å; Y495-V499 PolarHBondContact O-N 3.39Å; Y495-M582 HydrophobicContact CD1-CE 3.19Å; Y495-M582 HydrophobicContact CD2-CE 3.39Å; Y495-M582 HydrophobicContact CE1-CE 3.78Å; Y495-M582 HydrophobicContact CE2-CE 3.92Å; Y495-M582 HydrophobicContact CG-CE 2.98Å; Y495-T585 WeakPolarHBondContact CD2-OG1 3.31Å; Y495-T585 WeakPolarHBondContact CE2-OG1 3.46Å
496R85.4Confident78.8Confident34 Ų3451.5 Ų51.513%0.12827%0.271CS..Hα-helixtrans-60.6-38.6179.7-72.6-17173.5-151.11.6111.8Y492 N493 V498 E500 T504 Y509Y492-R496 HydrophobicContact CE1-CG 4.17Å; Y492-R496 HydrophobicContact CE2-CG 4.08Å; Y492-R496 PolarHBondContact O-N 3.03Å; N493-R496 PolarHBondContact O-N 3.41Å; R496-V498 PolarHBondContact O-N 2.93Å; R496-E500 HydrophobicContact CB-CB 4.49Å; R496-E500 IonicContact CZ-OE2 3.62Å; R496-E500 IonicContact NE-OE2 3.63Å; R496-E500 PolarHBondContact NE-OE2 2.91Å; R496-E500 IonicContact NH2-OE2 3.55Å; R496-E500 CarbonylContact O-C 3.11Å; R496-E500 WeakPolarHBondContact O-CA 3.15Å; R496-E500 WeakPolarHBondContact O-CB 3.48Å; R496-E500 PolarHBondContact O-N 3.43Å; R496-T504 PolarHBondContact NH2-O 2.79Å; R496-T504 VanDerWaalsContact NH2-O 3.11Å; R496-T504 PolarHBondContact NH2-OG1 2.93Å; R496-Y509 PolarHBondContact NH1-OH 2.85Å
497L79.9Confident77.8Confident83 Ų8355.5 Ų55.544%0.43530%0.297SS..Hα-helixtrans-58.9-35.2177.6-175.366.4000112.6N493 L494 Y495 L606N493-L497 PolarHBondContact O-N 3.41Å; L494-L497 WeakPolarHBondContact O-CB 3.37Å; L494-L497 PolarHBondContact O-N 3.22Å; Y495-L497 VanDerWaalsContact C-N 3.26Å; Y495-L497 PolarHBondContact O-N 3.35Å; L497-L606 HydrophobicContact CD2-CD2 4.27Å
498V79Confident77.3Confident18 Ų1857.4 Ų57.411%0.10932%0.316CS..Hα-helixtrans-95.4-40.8-175.4174.60000112.8L494 Y495 R496 V501 M586 I590 L606L494-V498 PolarHBondContact O-N 3.06Å; Y495-V498 PolarHBondContact O-N 3.03Å; Y495-V498 VanDerWaalsContact O-N 3.13Å; R496-V498 PolarHBondContact O-N 2.93Å; V498-V501 WeakPolarHBondContact O-CG2 3.46Å; V498-M586 HydrophobicContact CB-CG 3.87Å; V498-M586 HydrophobicContact CG1-CG 3.84Å; V498-M586 HydrophobicContact CG2-CG 3.84Å; V498-M586 HydrophobicContact CG2-SD 3.93Å; V498-I590 HydrophobicContact CG1-CD1 4.24Å; V498-I590 HydrophobicContact CG1-CG1 3.75Å; V498-L606 HydrophobicContact CG2-CD1 4.39Å
499V78.3Confident77Confident42 Ų4258 Ų5826%0.25532%0.317SS..Hα-helixtrans-95.5-39.1-171.2-177.10000111.8Y495 V501 Q589Y495-V499 HydrophobicContact CD2-CB 4.06Å; Y495-V499 HydrophobicContact CD2-CG2 3.56Å; Y495-V499 HydrophobicContact CE1-CB 4.38Å; Y495-V499 HydrophobicContact CE2-CB 3.74Å; Y495-V499 HydrophobicContact CE2-CG1 3.89Å; Y495-V499 HydrophobicContact CE2-CG2 3.5Å; Y495-V499 VanDerWaalsContact CE2-CG2 3.5Å; Y495-V499 HydrophobicContact CG-CG2 4.33Å; Y495-V499 WeakPolarHBondContact O-CB 3.21Å; Y495-V499 PolarHBondContact O-N 3.39Å; V499-V501 PolarHBondContact O-N 2.89Å; V499-Q589 HydrophobicContact CG2-CB 3.99Å; V499-Q589 HydrophobicContact CG2-CG 4.11Å
500E74Confident76.6Confident70 Ų7058.7 Ų58.733%0.32732%0.32SS..  trans-97.156-178.4-65.1-175.6-178.500111.8R496 F502 T504R496-E500 HydrophobicContact CB-CB 4.49Å; R496-E500 IonicContact CZ-OE2 3.62Å; R496-E500 IonicContact NE-OE2 3.63Å; R496-E500 PolarHBondContact NE-OE2 2.91Å; R496-E500 IonicContact NH2-OE2 3.55Å; R496-E500 CarbonylContact O-C 3.11Å; R496-E500 WeakPolarHBondContact O-CA 3.15Å; R496-E500 WeakPolarHBondContact O-CB 3.48Å; R496-E500 PolarHBondContact O-N 3.43Å; E500-F502 PolarHBondContact O-N 2.81Å; E500-T504 PolarHBondContact OE2-OG1 3.49Å
501V63.9Low76.6Confident101 Ų10164.4 Ų64.461%0.61235%0.35SS*.  trans-65-20.8-177.9-170.10000112.3V498 V499V498-V501 WeakPolarHBondContact O-CG2 3.46Å; V499-V501 PolarHBondContact O-N 2.89Å
502F52.1Low76.6Confident197 Ų19769.8 Ų69.886%0.86437%0.372SS*.SBendtrans-101.284.4179.6-62.9-75.7000112.6E500 T504E500-F502 PolarHBondContact O-N 2.81Å; F502-T504 PolarHBondContact O-N 2.83Å
503G53Low76.7Confident74 Ų7466.9 Ų66.976%0.76336%0.362SS*.  trans68.424.2133.300000121Y505G503-Y505 VanDerWaalsContact C-N 3.34Å; G503-Y505 PolarHBondContact O-N 2.68Å
504T56.7Low76.9Confident75 Ų7568.1 Ų68.146%0.4637%0.371SS..  trans-7883.2170.453.90000110.9R496 E500 F502 V506R496-T504 PolarHBondContact NH2-O 2.79Å; R496-T504 VanDerWaalsContact NH2-O 3.11Å; R496-T504 PolarHBondContact NH2-OG1 2.93Å; E500-T504 PolarHBondContact OE2-OG1 3.49Å; F502-T504 PolarHBondContact O-N 2.83Å; T504-V506 PolarHBondContact O-N 3.09Å
505Y65.8Low77.2Confident174 Ų17473.2 Ų73.268%0.68240%0.397SS*.  trans-66.4106167.7178.6-99.1000109G503 P507G503-Y505 VanDerWaalsContact C-N 3.34Å; G503-Y505 PolarHBondContact O-N 2.68Å; Y505-P507 HydrophobicContact CE1-CB 4.06Å; Y505-P507 WeakPolarHBondContact O-CD 3.41Å
506V70.1Confident77.6Confident45 Ų4574.3 Ų74.327%0.27341%0.409SS..  trans-93.6111.8172.6-178.20000107.9T504 G508 Y509 K512T504-V506 PolarHBondContact O-N 3.09Å; V506-G508 PolarHBondContact O-N 3.01Å; V506-Y509 HydrophobicContact CB-CD2 4.39Å; V506-Y509 WeakPolarHBondContact O-CB 3.44Å; V506-Y509 PolarHBondContact O-N 2.83Å; V506-Y509 VanDerWaalsContact O-N 3.16Å; V506-K512 HydrophobicContact CG1-CD 4.21Å
507P72.9Confident78Confident84 Ų8472.7 Ų72.755%0.54540%0.403SS..THydrogen-bonded Turntrans-60.1132.4175.124.8-32.6000109.6Y505 Y509Y505-P507 HydrophobicContact CE1-CB 4.06Å; Y505-P507 WeakPolarHBondContact O-CD 3.41Å; P507-Y509 VanDerWaalsContact C-N 3.33Å; P507-Y509 PolarHBondContact O-N 2.82Å
508G80.6Confident78.7Confident41 Ų4171.5 Ų71.542%0.42339%0.393SS..THydrogen-bonded Turntrans68.624.9-178.300000114.8V506 L510 L511 K512V506-G508 PolarHBondContact O-N 3.01Å; G508-L510 VanDerWaalsContact C-N 3.35Å; G508-L510 PolarHBondContact O-N 3.44Å; G508-L511 WeakPolarHBondContact O-CB 3.45Å; G508-L511 PolarHBondContact O-N 3.28Å; G508-K512 PolarHBondContact O-N 2.85Å
509Y85.2Confident79.4Confident20 Ų2072.2 Ų72.28%0.07840%0.404CS..Hα-helixtrans-46.9-52.2-178.6179.9-121.1000113.6Y435 Y492 R496 V506 P507 L511 K512 L513Y435-Y509 HydrophobicContact CD1-CD1 4.15Å; Y435-Y509 HydrophobicContact CG-CD1 4.33Å; Y492-Y509 HydrophobicContact CE1-CE2 4.42Å; R496-Y509 PolarHBondContact NH1-OH 2.85Å; V506-Y509 HydrophobicContact CB-CD2 4.39Å; V506-Y509 WeakPolarHBondContact O-CB 3.44Å; V506-Y509 PolarHBondContact O-N 2.83Å; V506-Y509 VanDerWaalsContact O-N 3.16Å; P507-Y509 VanDerWaalsContact C-N 3.33Å; P507-Y509 PolarHBondContact O-N 2.82Å; Y509-L511 VanDerWaalsContact C-N 3.33Å; Y509-L511 PolarHBondContact O-N 3.35Å; Y509-K512 PolarHBondContact O-N 2.82Å; Y509-L513 HydrophobicContact CD1-CD1 4.12Å; Y509-L513 HydrophobicContact CD2-CG 4.32Å; Y509-L513 HydrophobicContact CE1-CD1 3.53Å; Y509-L513 HydrophobicContact CE1-CG 4.33Å; Y509-L513 HydrophobicContact CE2-CD1 3.96Å; Y509-L513 HydrophobicContact CE2-CD2 4.09Å; Y509-L513 HydrophobicContact CE2-CG 3.95Å; Y509-L513 VanDerWaalsContact CZ-CD1 3.44Å; Y509-L513 WeakPolarHBondContact O-CG 3.23Å; Y509-L513 PolarHBondContact O-N 2.97Å
510L84.4Confident80.1Confident36 Ų3674.1 Ų74.119%0.18841%0.409CS..Hα-helixtrans-65.1-34.1179-70.6169.3000113.5Y435 K438 V439 G508 L513 S514Y435-L510 HydrophobicContact CD1-CD1 3.64Å; Y435-L510 HydrophobicContact CD1-CD2 4.06Å; Y435-L510 HydrophobicContact CD1-CG 3.6Å; Y435-L510 HydrophobicContact CE1-CD1 3.76Å; Y435-L510 HydrophobicContact CE1-CG 3.89Å; K438-L510 HydrophobicContact CB-CD1 4.09Å; K438-L510 HydrophobicContact CB-CD2 3.95Å; K438-L510 HydrophobicContact CD-CD1 3.37Å; K438-L510 HydrophobicContact CG-CD1 4.38Å; V439-L510 HydrophobicContact CG2-CD2 4.04Å; G508-L510 VanDerWaalsContact C-N 3.35Å; G508-L510 PolarHBondContact O-N 3.44Å; L510-L513 PolarHBondContact O-N 2.87Å; L510-S514 VanDerWaalsContact O-CB 3.27Å; L510-S514 WeakPolarHBondContact O-CB 3.46Å; L510-S514 PolarHBondContact O-N 3.43Å; L510-S514 PolarHBondContact O-OG 3.14Å
511L88.3Confident81.1Confident119 Ų11970.8 Ų70.862%0.62339%0.393SS*.Hα-helixtrans-66.6-45.1177.5-179.464.4000109.8G508 Y509 L513 S514 I515G508-L511 WeakPolarHBondContact O-CB 3.45Å; G508-L511 PolarHBondContact O-N 3.28Å; Y509-L511 VanDerWaalsContact C-N 3.33Å; Y509-L511 PolarHBondContact O-N 3.35Å; L511-L513 PolarHBondContact O-N 2.95Å; L511-S514 PolarHBondContact O-N 3.36Å; L511-I515 HydrophobicContact CG-CD1 4.17Å; L511-I515 VanDerWaalsContact O-CG1 3.29Å; L511-I515 WeakPolarHBondContact O-CG1 3.37Å; L511-I515 PolarHBondContact O-N 3.34Å
512K91Very high82.6Confident117 Ų11769.5 Ų69.551%0.50939%0.385SS..Hα-helixtrans-59.9-46.4174.8-67178.2-180-179.90111.3V506 G508 Y509 S514 I515 V516V506-K512 HydrophobicContact CG1-CD 4.21Å; G508-K512 PolarHBondContact O-N 2.85Å; Y509-K512 PolarHBondContact O-N 2.82Å; K512-S514 VanDerWaalsContact C-N 3.33Å; K512-S514 PolarHBondContact O-N 3.26Å; K512-I515 PolarHBondContact O-N 3.49Å; K512-V516 WeakPolarHBondContact O-CG2 3.43Å; K512-V516 PolarHBondContact O-N 2.93Å; K512-V516 VanDerWaalsContact O-N 3.16Å
513L91.6Very high84.6Confident12 Ų1266.3 Ų66.36%0.06337%0.371CS..Hα-helixtrans-61-40.9174.9-71.4-171.7000112.3V439 W486 L489 Y509 L510 L511 V516 G517V439-L513 HydrophobicContact CG2-CD1 3.67Å; W486-L513 HydrophobicContact CH2-CB 4.38Å; L489-L513 HydrophobicContact CD1-CB 4.24Å; L489-L513 HydrophobicContact CD1-CD2 4.18Å; L489-L513 VanDerWaalsContact CD1-O 3.3Å; L489-L513 WeakPolarHBondContact CD1-O 3.34Å; L489-L513 HydrophobicContact CD2-CD2 3.72Å; L489-L513 HydrophobicContact CG-CD2 4.35Å; Y509-L513 HydrophobicContact CD1-CD1 4.12Å; Y509-L513 HydrophobicContact CD2-CG 4.32Å; Y509-L513 HydrophobicContact CE1-CD1 3.53Å; Y509-L513 HydrophobicContact CE1-CG 4.33Å; Y509-L513 HydrophobicContact CE2-CD1 3.96Å; Y509-L513 HydrophobicContact CE2-CD2 4.09Å; Y509-L513 HydrophobicContact CE2-CG 3.95Å; Y509-L513 VanDerWaalsContact CZ-CD1 3.44Å; Y509-L513 WeakPolarHBondContact O-CG 3.23Å; Y509-L513 PolarHBondContact O-N 2.97Å; L510-L513 PolarHBondContact O-N 2.87Å; L511-L513 PolarHBondContact O-N 2.95Å; L513-V516 PolarHBondContact O-N 3.11Å; L513-G517 PolarHBondContact O-N 3.38Å
514S91.4Very high86.5Confident33 Ų3364.1 Ų64.123%0.23134%0.342CS..Hα-helixtrans-68.5-37.2-179.7-58.10000112L510 L511 K512 V516 W518L510-S514 VanDerWaalsContact O-CB 3.27Å; L510-S514 WeakPolarHBondContact O-CB 3.46Å; L510-S514 PolarHBondContact O-N 3.43Å; L510-S514 PolarHBondContact O-OG 3.14Å; L511-S514 PolarHBondContact O-N 3.36Å; K512-S514 VanDerWaalsContact C-N 3.33Å; K512-S514 PolarHBondContact O-N 3.26Å; S514-V516 VanDerWaalsContact C-N 3.31Å; S514-V516 PolarHBondContact O-N 3.09Å; S514-W518 WeakPolarHBondContact O-CB 3.35Å; S514-W518 PolarHBondContact O-N 3.15Å
515I92.7Very high88.2Confident109 Ų10961.2 Ų61.256%0.55932%0.324SS*.Iπ-helixtrans-61-42.9173.6-69.5164.1000110.4L511 K512 G519L511-I515 HydrophobicContact CG-CD1 4.17Å; L511-I515 VanDerWaalsContact O-CG1 3.29Å; L511-I515 WeakPolarHBondContact O-CG1 3.37Å; L511-I515 PolarHBondContact O-N 3.34Å; K512-I515 PolarHBondContact O-N 3.49Å; I515-G519 WeakPolarHBondContact O-CA 3.27Å; I515-G519 PolarHBondContact O-N 3.47Å
516V93.2Very high89.4Confident77 Ų7756.2 Ų56.247%0.46731%0.312SS..Iπ-helixtrans-71-51.7177.2177.10000110.9L489 K512 L513 S514 W518 F520L489-V516 HydrophobicContact CD1-CB 4.48Å; L489-V516 HydrophobicContact CD1-CG1 4.48Å; L489-V516 HydrophobicContact CD2-CG1 4.28Å; K512-V516 WeakPolarHBondContact O-CG2 3.43Å; K512-V516 PolarHBondContact O-N 2.93Å; K512-V516 VanDerWaalsContact O-N 3.16Å; L513-V516 PolarHBondContact O-N 3.11Å; S514-V516 VanDerWaalsContact C-N 3.31Å; S514-V516 PolarHBondContact O-N 3.09Å; V516-W518 PolarHBondContact O-N 2.91Å; V516-F520 VanDerWaalsContact O-CB 3.25Å; V516-F520 WeakPolarHBondContact O-CB 3.34Å; V516-F520 PolarHBondContact O-N 3.34Å
517G93.3Very high90.4Very high0 Ų058 Ų580%032%0.32CS..Iπ-helixtrans-65.9-32.2-173.100000114.5L513 P521L513-G517 PolarHBondContact O-N 3.38Å; G517-P521 WeakPolarHBondContact O-CG 3.38Å
518W95.7Very high91.2Very high57 Ų5754.7 Ų54.722%0.21630%0.298CS..Iπ-helixtrans-108.1-39.2178.9-63.6110.7000113.2N442 A446 L449 F478 A482 W486 S514 V516 P521 V522N442-W518 PolarHBondContact OD1-NE1 2.92Å; A446-W518 HydrophobicContact CB-CH2 3.91Å; A446-W518 HydrophobicContact CB-CZ3 4.42Å; L449-W518 HydrophobicContact CD1-CH2 3.74Å; L449-W518 HydrophobicContact CD1-CZ3 3.74Å; F478-W518 HydrophobicContact CE1-CZ3 4.38Å; F478-W518 HydrophobicContact CE2-CE3 4.32Å; F478-W518 AromaticContact CZ-CE3 3.7Å; F478-W518 HydrophobicContact CZ-CE3 3.7Å; F478-W518 AromaticContact CZ-CZ3 3.93Å; F478-W518 HydrophobicContact CZ-CZ3 3.93Å; A482-W518 HydrophobicContact CB-CE3 3.92Å; A482-W518 HydrophobicContact CB-CZ3 3.79Å; W486-W518 AromaticContact CE2-CD1 3.96Å; W486-W518 AromaticContact CE2-CE2 3.95Å; W486-W518 AromaticContact CE2-NE1 3.55Å; W486-W518 AromaticContact CZ2-CD1 3.56Å; W486-W518 HydrophobicContact CZ2-CG 4.49Å; W486-W518 AromaticContact CZ2-NE1 3.31Å; W486-W518 VanDerWaalsContact CZ2-NE1 3.31Å; W486-W518 AromaticContact NE1-CD1 3.71Å; W486-W518 AromaticContact NE1-CD2 3.61Å; W486-W518 AromaticContact NE1-CE2 3.22Å; W486-W518 AromaticContact NE1-CG 3.92Å; W486-W518 AromaticContact NE1-CZ2 3.61Å; W486-W518 AromaticContact NE1-NE1 3.29Å; S514-W518 WeakPolarHBondContact O-CB 3.35Å; S514-W518 PolarHBondContact O-N 3.15Å; V516-W518 PolarHBondContact O-N 2.91Å; W518-P521 WeakPolarHBondContact O-CD 3.33Å; W518-V522 WeakPolarHBondContact O-CG2 3.3Å; W518-V522 PolarHBondContact O-N 3.22Å
519G94Very high91.6Very high33 Ų3354 Ų5434%0.3429%0.288SS..Iπ-helixtrans-71.9-39-17500000113.7I515 V522 F523I515-G519 WeakPolarHBondContact O-CA 3.27Å; I515-G519 PolarHBondContact O-N 3.47Å; G519-V522 PolarHBondContact O-N 2.96Å; G519-F523 WeakPolarHBondContact O-CB 3.49Å; G519-F523 PolarHBondContact O-N 3.31Å
520F92.8Very high91.8Very high82 Ų8259.5 Ų59.536%0.3632%0.318SS..Hα-helixtrans-62.2-47.4176.9173.3-103.1000112.8V516 V522 F523 L524 L571V516-F520 VanDerWaalsContact O-CB 3.25Å; V516-F520 WeakPolarHBondContact O-CB 3.34Å; V516-F520 PolarHBondContact O-N 3.34Å; F520-V522 PolarHBondContact O-N 3.45Å; F520-F523 PolarHBondContact O-N 2.97Å; F520-L524 HydrophobicContact CD1-CD1 4.16Å; F520-L524 HydrophobicContact CE1-CD1 3.5Å; F520-L524 VanDerWaalsContact CE1-CD1 3.5Å; F520-L524 HydrophobicContact CE1-CG 4.43Å; F520-L524 HydrophobicContact CE2-CD1 3.9Å; F520-L524 HydrophobicContact CE2-CD2 4.45Å; F520-L524 HydrophobicContact CE2-CG 4.12Å; F520-L524 HydrophobicContact CZ-CD1 3.37Å; F520-L524 HydrophobicContact CZ-CG 4.1Å; F520-L524 PolarHBondContact O-N 2.74Å; F520-L524 VanDerWaalsContact O-N 3.07Å; F520-L571 HydrophobicContact CE1-CD1 4Å; F520-L571 HydrophobicContact CE1-CD2 3.88Å; F520-L571 HydrophobicContact CZ-CD1 4.32Å; F520-L571 HydrophobicContact CZ-CD2 3.78Å
521P94.2Very high92Very high0 Ų063.2 Ų63.20%034%0.342CS..Hα-helixtrans-55-46.5170.7-28.233.1000114.2F478 L481 A482 G517 W518 F523 L524 V525F478-P521 HydrophobicContact CD2-CB 3.72Å; F478-P521 HydrophobicContact CE2-CB 3.87Å; L481-P521 HydrophobicContact CB-CB 3.8Å; L481-P521 HydrophobicContact CB-CG 4.17Å; A482-P521 VanDerWaalsContact CA-CG 3.45Å; A482-P521 HydrophobicContact CB-CB 4.2Å; A482-P521 HydrophobicContact CB-CG 3.94Å; G517-P521 WeakPolarHBondContact O-CG 3.38Å; W518-P521 WeakPolarHBondContact O-CD 3.33Å; P521-F523 VanDerWaalsContact C-N 3.32Å; P521-F523 PolarHBondContact O-N 2.91Å; P521-L524 PolarHBondContact O-N 3.28Å; P521-V525 WeakPolarHBondContact O-CG2 3.4Å; P521-V525 PolarHBondContact O-N 3.38Å
522V95.1Very high91.8Very high74 Ų7460.6 Ų60.645%0.44833%0.329SS..Hα-helixtrans-59.4-45.9178.7170.30000110.7F478 W518 G519 F520 L524 T526F478-V522 HydrophobicContact CD2-CG2 4Å; F478-V522 HydrophobicContact CE2-CG2 3.53Å; F478-V522 HydrophobicContact CZ-CG2 4.33Å; W518-V522 WeakPolarHBondContact O-CG2 3.3Å; W518-V522 PolarHBondContact O-N 3.22Å; G519-V522 PolarHBondContact O-N 2.96Å; F520-V522 PolarHBondContact O-N 3.45Å; V522-L524 PolarHBondContact O-N 3.36Å; V522-T526 VanDerWaalsContact O-CB 3.29Å; V522-T526 WeakPolarHBondContact O-CB 3.42Å; V522-T526 PolarHBondContact O-N 3.44Å; V522-T526 PolarHBondContact O-OG1 3.29Å
523F94.3Very high91.4Very high130 Ų13057.9 Ų57.957%0.5732%0.321SS*.Hα-helixtrans-59-47.9179172.7-101.7000111.8G519 F520 P521 T526 L527G519-F523 WeakPolarHBondContact O-CB 3.49Å; G519-F523 PolarHBondContact O-N 3.31Å; F520-F523 PolarHBondContact O-N 2.97Å; P521-F523 VanDerWaalsContact C-N 3.32Å; P521-F523 PolarHBondContact O-N 2.91Å; F523-T526 PolarHBondContact O-N 2.91Å; F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 WeakPolarHBondContact O-CB 3.35Å; F523-L527 PolarHBondContact O-N 3.42Å
524L92.3Very high90.9Very high29 Ų2961 Ų6115%0.15234%0.338CS..Hα-helixtrans-65.4-45.8-178.6-74.3-178.5000113.2L481 F520 P521 V522 T526 L527 V528 L571L481-L524 HydrophobicContact CD1-CB 3.9Å; L481-L524 HydrophobicContact CD1-CD1 4.01Å; F520-L524 HydrophobicContact CD1-CD1 4.16Å; F520-L524 HydrophobicContact CE1-CD1 3.5Å; F520-L524 VanDerWaalsContact CE1-CD1 3.5Å; F520-L524 HydrophobicContact CE1-CG 4.43Å; F520-L524 HydrophobicContact CE2-CD1 3.9Å; F520-L524 HydrophobicContact CE2-CD2 4.45Å; F520-L524 HydrophobicContact CE2-CG 4.12Å; F520-L524 HydrophobicContact CZ-CD1 3.37Å; F520-L524 HydrophobicContact CZ-CG 4.1Å; F520-L524 PolarHBondContact O-N 2.74Å; F520-L524 VanDerWaalsContact O-N 3.07Å; P521-L524 PolarHBondContact O-N 3.28Å; V522-L524 PolarHBondContact O-N 3.36Å; L524-T526 VanDerWaalsContact C-N 3.3Å; L524-T526 PolarHBondContact O-N 3.17Å; L524-L527 PolarHBondContact O-N 2.94Å; L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 2.86Å; L524-L571 HydrophobicContact CD1-CD1 3.46Å; L524-L571 VanDerWaalsContact CD1-CD1 3.46Å
525V92.5Very high90.4Very high13 Ų1360.4 Ų60.48%0.07933%0.333CS..Hα-helixtrans-63.7-40.61781770000110.8M474 H477 F478 L481 P521 L527 V528 A529M474-V525 HydrophobicContact CB-CG1 4.12Å; M474-V525 HydrophobicContact CG-CG1 4.42Å; H477-V525 HydrophobicContact CB-CG2 4.36Å; F478-V525 HydrophobicContact CB-CG2 3.96Å; L481-V525 HydrophobicContact CD1-CG2 4.08Å; P521-V525 WeakPolarHBondContact O-CG2 3.4Å; P521-V525 PolarHBondContact O-N 3.38Å; V525-L527 VanDerWaalsContact C-N 3.35Å; V525-L527 PolarHBondContact O-N 2.95Å; V525-V528 PolarHBondContact O-N 2.95Å; V525-A529 WeakPolarHBondContact O-CB 3.11Å; V525-A529 PolarHBondContact O-N 3.39Å
526T91.9Very high89.9Confident70 Ų7055.3 Ų55.343%0.42931%0.306SS..Hα-helixtrans-62.8-42.8176.4-54.60000111V522 F523 L524 A529 L530V522-T526 VanDerWaalsContact O-CB 3.29Å; V522-T526 WeakPolarHBondContact O-CB 3.42Å; V522-T526 PolarHBondContact O-N 3.44Å; V522-T526 PolarHBondContact O-OG1 3.29Å; F523-T526 PolarHBondContact O-N 2.91Å; L524-T526 VanDerWaalsContact C-N 3.3Å; L524-T526 PolarHBondContact O-N 3.17Å; T526-A529 PolarHBondContact O-N 3.31Å; T526-L530 HydrophobicContact CG2-CD1 3.94Å; T526-L530 HydrophobicContact CG2-CG 4.23Å; T526-L530 WeakPolarHBondContact O-CB 3.11Å; T526-L530 WeakPolarHBondContact O-CG 3.31Å; T526-L530 PolarHBondContact O-N 2.6Å
527L92.1Very high89.2Confident82 Ų8251.7 Ų51.743%0.42928%0.284SS..Hα-helixtrans-60.4-47.2177.1-177.966000111.9F523 L524 V525 A529 L530 V531F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 WeakPolarHBondContact O-CB 3.35Å; F523-L527 PolarHBondContact O-N 3.42Å; L524-L527 PolarHBondContact O-N 2.94Å; V525-L527 VanDerWaalsContact C-N 3.35Å; V525-L527 PolarHBondContact O-N 2.95Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 3.36Å; L527-L530 PolarHBondContact O-N 2.93Å; L527-V531 WeakPolarHBondContact O-CG2 2.78Å; L527-V531 PolarHBondContact O-N 3.45Å
528V89.2Confident88.1Confident15 Ų1554.8 Ų54.89%0.09130%0.304CS..Hα-helixtrans-63-42.5178.2176.10000111.2L524 V525 L530 V531 D532 N535 Y536 V563 T567L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 2.86Å; V525-V528 PolarHBondContact O-N 2.95Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.01Å; V528-V531 PolarHBondContact O-N 3.47Å; V528-D532 PolarHBondContact O-N 3.09Å; V528-N535 HydrophobicContact CG1-CB 4.41Å; V528-Y536 HydrophobicContact CB-CE2 4.38Å; V528-Y536 WeakPolarHBondContact CB-OH 3.43Å; V528-Y536 HydrophobicContact CG1-CE2 3.82Å; V528-Y536 WeakPolarHBondContact CG1-OH 3.42Å; V528-V563 HydrophobicContact CG1-CG1 3.66Å; V528-V563 HydrophobicContact CG2-CG1 4.26Å; V528-T567 HydrophobicContact CG2-CG2 3.86Å
529A88.5Confident86.7Confident25 Ų2554.2 Ų54.221%0.20731%0.305CS..Hα-helixtrans-67.1-32.2177.500000113.2M474 V525 T526 L527 D532 V533 Y536M474-A529 HydrophobicContact CE-CB 4.18Å; V525-A529 WeakPolarHBondContact O-CB 3.11Å; V525-A529 PolarHBondContact O-N 3.39Å; T526-A529 PolarHBondContact O-N 3.31Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 3.36Å; A529-D532 CarbonylContact O-C 3.58Å; A529-V533 PolarHBondContact O-N 2.8Å; A529-Y536 HydrophobicContact CB-CE2 4.09Å
530L89.8Confident85.1Confident137 Ų13758.5 Ų58.572%0.71732%0.319SS*.Hα-helixtrans-73-36.2176.8-77.9173000112.9T526 L527 V528T526-L530 HydrophobicContact CG2-CD1 3.94Å; T526-L530 HydrophobicContact CG2-CG 4.23Å; T526-L530 WeakPolarHBondContact O-CB 3.11Å; T526-L530 WeakPolarHBondContact O-CG 3.31Å; T526-L530 PolarHBondContact O-N 2.6Å; L527-L530 PolarHBondContact O-N 2.93Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.01Å
531V87.5Confident83.3Confident113 Ų11356.6 Ų56.669%0.68531%0.313SS*.Hα-helixtrans-67-51.3177.5171.50000110.1L527 V528L527-V531 WeakPolarHBondContact O-CG2 2.78Å; L527-V531 PolarHBondContact O-N 3.45Å; V528-V531 PolarHBondContact O-N 3.47Å
532D84.5Confident80.8Confident65 Ų6560 Ų6035%0.34834%0.341SS..  trans-159.3115.7170-171.2-4.8000110.4V528 A529 N534 N535V528-D532 PolarHBondContact O-N 3.09Å; A529-D532 CarbonylContact O-C 3.58Å; D532-N534 PolarHBondContact O-N 2.89Å; D532-N534 WeakPolarHBondContact OD1-CB 3.29Å; D532-N534 PolarHBondContact OD1-N 2.81Å; D532-N534 PolarHBondContact OD1-ND2 3.1Å; D532-N535 VanDerWaalsContact O-CB 3.27Å; D532-N535 WeakPolarHBondContact O-CB 3.46Å; D532-N535 PolarHBondContact O-N 2.92Å; D532-N535 PolarHBondContact O-ND2 2.96Å
533V82.2Confident78.5Confident59 Ų5957.5 Ų57.536%0.35833%0.326SS..G310 helixtrans-65.9-22.4177.177.90000112.1M474 A529 N535 Y536M474-V533 HydrophobicContact CE-CG2 3.45Å; M474-V533 VanDerWaalsContact CE-CG2 3.45Å; A529-V533 PolarHBondContact O-N 2.8Å; V533-N535 PolarHBondContact O-N 3.3Å; V533-Y536 PolarHBondContact O-N 3.25Å; V533-Y536 VanDerWaalsContact O-N 3.15Å
534N81.1Confident75.9Confident79 Ų7959.9 Ų59.942%0.42233%0.331SS..G310 helixtrans-73-9.8178.4-57.2-59.8000112.8D532 Y536 R559D532-N534 PolarHBondContact O-N 2.89Å; D532-N534 WeakPolarHBondContact OD1-CB 3.29Å; D532-N534 PolarHBondContact OD1-N 2.81Å; D532-N534 PolarHBondContact OD1-ND2 3.1Å; N534-Y536 PolarHBondContact O-N 2.79Å; N534-R559 WeakPolarHBondContact O-CD 3.48Å
535N80.9Confident73.2Confident20 Ų2069.7 Ų69.711%0.10737%0.366CS..G310 helixtrans-59.3-25.1166.9-72.4-39.1000111.7V528 D532 V533 I558 R559V528-N535 HydrophobicContact CG1-CB 4.41Å; D532-N535 VanDerWaalsContact O-CB 3.27Å; D532-N535 WeakPolarHBondContact O-CB 3.46Å; D532-N535 PolarHBondContact O-N 2.92Å; D532-N535 PolarHBondContact O-ND2 2.96Å; V533-N535 PolarHBondContact O-N 3.3Å; N535-I558 CarbonylContact O-C 3.05Å; N535-I558 VanDerWaalsContact O-CA 3.27Å; N535-I558 WeakPolarHBondContact O-CA 3.4Å; N535-R559 PolarHBondContact O-N 2.62Å
536Y83.8Confident70.7Confident1 Ų172.3 Ų72.30%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-97.5136.1175-62-74.1000111R470 A473 M474 H477 V528 A529 V533 N534 I558R470-Y536 WeakPolarHBondContact CG-O 3.42Å; A473-Y536 HydrophobicContact CB-CD1 3.86Å; A473-Y536 HydrophobicContact CB-CG 4.4Å; M474-Y536 HydrophobicContact CE-CD2 3.75Å; M474-Y536 HydrophobicContact CE-CE2 4.36Å; M474-Y536 HydrophobicContact CE-CG 4.34Å; M474-Y536 HydrophobicContact CG-CD1 4.26Å; M474-Y536 HydrophobicContact CG-CD2 3.84Å; M474-Y536 HydrophobicContact CG-CE1 4.39Å; M474-Y536 HydrophobicContact CG-CE2 3.97Å; M474-Y536 HydrophobicContact CG-CG 3.99Å; H477-Y536 HydrophobicContact CB-CE1 4.24Å; H477-Y536 AromaticContact ND1-CE1 3.86Å; H477-Y536 AromaticContact ND1-CZ 3.83Å; H477-Y536 PolarHBondContact ND1-OH 2.8Å; V528-Y536 HydrophobicContact CB-CE2 4.38Å; V528-Y536 WeakPolarHBondContact CB-OH 3.43Å; V528-Y536 HydrophobicContact CG1-CE2 3.82Å; V528-Y536 WeakPolarHBondContact CG1-OH 3.42Å; A529-Y536 HydrophobicContact CB-CE2 4.09Å; V533-Y536 PolarHBondContact O-N 3.25Å; V533-Y536 VanDerWaalsContact O-N 3.15Å; N534-Y536 PolarHBondContact O-N 2.79Å; Y536-I558 HydrophobicContact CD1-CG1 4Å; Y536-I558 HydrophobicContact CE1-CD1 4.31Å; Y536-I558 HydrophobicContact CE1-CG1 3.64Å
537G77.2Confident68.5Low1 Ų175.6 Ų75.61%0.0140%0.404CS..EExtended strand (participates in β ladder)trans175.9-173.3174.900000114.7I539 W557G537-I539 PolarHBondContact O-N 3.32Å; G537-W557 PolarHBondContact N-O 2.64Å; G537-W557 PolarHBondContact O-N 3.11Å
538P71.5Confident66.3Low65 Ų6580.4 Ų80.442%0.42243%0.425SS..EExtended strand (participates in β ladder)trans-72.3128.5178.828.4-32.5000110.6
539I66.5Low63.7Low46 Ų4689.6 Ų89.624%0.23646%0.458CS..EExtended strand (participates in β ladder)trans-103123.9167.7-55.3-169.8000107.4G537 L541 S554 M555 W557 I558G537-I539 PolarHBondContact O-N 3.32Å; I539-L541 PolarHBondContact O-N 3.21Å; I539-S554 WeakPolarHBondContact O-CA 3.32Å; I539-M555 HydrophobicContact CB-CG 4.36Å; I539-M555 HydrophobicContact CD1-CE 4.28Å; I539-M555 PolarHBondContact N-O 2.98Å; I539-M555 PolarHBondContact O-N 3.22Å; I539-W557 HydrophobicContact CD1-CB 3.61Å; I539-W557 HydrophobicContact CD1-CG 4.11Å; I539-W557 HydrophobicContact CG1-CB 4.15Å; I539-I558 WeakPolarHBondContact CD1-O 3.44Å
540I59.6Low61.2Low122 Ų12292.3 Ų92.363%0.62647%0.472SS*.EExtended strand (participates in β ladder)trans-82.9108175.4-56.7173.1000107.4A542 Y552I540-A542 PolarHBondContact O-N 2.84Å; I540-Y552 HydrophobicContact CG2-CD1 4.22Å
541L54.6Low58.8Low43 Ų4390.6 Ų90.623%0.22547%0.467CS..  trans-84100.7167.3-60161000106.6I539 V543 P553 M555I539-L541 PolarHBondContact O-N 3.21Å; L541-V543 PolarHBondContact O-N 2.67Å; L541-P553 HydrophobicContact CB-CG 4.22Å; L541-P553 VanDerWaalsContact CB-O 3.31Å; L541-P553 WeakPolarHBondContact CB-O 3.43Å; L541-P553 PolarHBondContact N-O 3.24Å; L541-P553 VanDerWaalsContact N-O 3.13Å; L541-P553 WeakPolarHBondContact O-CD 3.44Å; L541-P553 WeakPolarHBondContact O-CG 3.23Å; L541-M555 HydrophobicContact CD1-CB 4.33Å; L541-M555 HydrophobicContact CD1-CE 4.42Å; L541-M555 HydrophobicContact CD1-CG 3.86Å; L541-M555 HydrophobicContact CD1-SD 3.84Å; L541-M555 HydrophobicContact CD2-CE 4.28Å; L541-M555 HydrophobicContact CG-CG 4.36Å
542A42.4Very low56.7Low71 Ų7191.7 Ų91.759%0.58746%0.459SS*.  trans-68.3102.317900000110.2I540I540-A542 PolarHBondContact O-N 2.84Å
543V46.9Very low55.1Low22 Ų2289.9 Ų89.913%0.13345%0.452CS..  trans-134.6117.2174.4-178.20000110.1A397 K400 H401 L541 P553A397-V543 HydrophobicContact CB-CB 4.35Å; A397-V543 HydrophobicContact CB-CG1 4.18Å; A397-V543 HydrophobicContact CB-CG2 4.01Å; A397-V543 WeakPolarHBondContact O-CG1 3.43Å; K400-V543 HydrophobicContact CB-CG2 4.43Å; H401-V543 HydrophobicContact CB-CG1 4.08Å; L541-V543 PolarHBondContact O-N 2.67Å; V543-P553 HydrophobicContact CB-CG 4.14Å; V543-P553 HydrophobicContact CG2-CG 4.31Å
544R39.2Very low54.1Low179 Ų17988 Ų8868%0.67544%0.441SS*.  trans67.6110164.6-150.2172-166.7137.22.4118.7T546R544-T546 HydrophobicContact CG-CG2 4.14Å
545R36Very low53.8Low236 Ų23686.9 Ų86.989%0.89143%0.434SS*.  trans-78113.9152.4-77.4-175.8169.894.6-0.6108.4
546T40.2Very low53.9Low67 Ų6786 Ų8641%0.41143%0.429SS..BIsolated β-bridgetrans-106.5145.215157.60000107.4R544 E548 R549R544-T546 HydrophobicContact CG-CG2 4.14Å; T546-E548 PolarHBondContact O-N 3.37Å; T546-R549 PolarHBondContact OG1-O 3.48Å
547P46Very low53.9Low140 Ų14088 Ų8891%0.90944%0.436SS*.THydrogen-bonded Turntrans-66.7-4.1-167.523-31.6000115.5
548E45.6Very low54.2Low183 Ų18388.1 Ų88.186%0.85544%0.437SS*.THydrogen-bonded Turntrans-120.9-18.2-172.7-70.9-174155.300116.2T546T546-E548 PolarHBondContact O-N 3.37Å
549R34.5Very low54.4Low208 Ų20892.8 Ų92.879%0.78545%0.446SS*.BIsolated β-bridgetrans-153.6133.5170.6-67.6-168.9-176.7169.62111.4T546T546-R549 PolarHBondContact OG1-O 3.48Å
550V35.8Very low54.9Low82 Ų8293.7 Ų93.750%0.49745%0.451SS..  trans-101.8104.7176.1-168.60000108.7Y552V550-Y552 HydrophobicContact CB-CE2 4.23Å; V550-Y552 HydrophobicContact CG1-CD1 4.22Å; V550-Y552 HydrophobicContact CG1-CD2 3.83Å; V550-Y552 HydrophobicContact CG1-CE1 3.74Å; V550-Y552 HydrophobicContact CG1-CE2 3.3Å; V550-Y552 HydrophobicContact CG1-CG 4.27Å
551T39.5Very low55.6Low100 Ų10091.6 Ų91.661%0.61345%0.447SS*.  trans-107.8103.7169.9-34.10000107.1P553T551-P553 VanDerWaalsContact O-CD 3.31Å; T551-P553 WeakPolarHBondContact O-CD 3.3Å
552Y42.3Very low56.7Low136 Ų13694.9 Ų94.953%0.53347%0.465SS..  trans-78.4118.5172.3-58.3-83.2000107.6I540 V550 S554I540-Y552 HydrophobicContact CG2-CD1 4.22Å; V550-Y552 HydrophobicContact CB-CE2 4.23Å; V550-Y552 HydrophobicContact CG1-CD1 4.22Å; V550-Y552 HydrophobicContact CG1-CD2 3.83Å; V550-Y552 HydrophobicContact CG1-CE1 3.74Å; V550-Y552 HydrophobicContact CG1-CE2 3.3Å; V550-Y552 HydrophobicContact CG1-CG 4.27Å; Y552-S554 VanDerWaalsContact C-N 3.26Å; Y552-S554 PolarHBondContact O-N 2.94Å
553P52Low58.5Low28 Ų2892.7 Ų92.718%0.18244%0.444CS..  trans-6895164.424.9-26.6000107.2L541 V543 T551L541-P553 HydrophobicContact CB-CG 4.22Å; L541-P553 VanDerWaalsContact CB-O 3.31Å; L541-P553 WeakPolarHBondContact CB-O 3.43Å; L541-P553 PolarHBondContact N-O 3.24Å; L541-P553 VanDerWaalsContact N-O 3.13Å; L541-P553 WeakPolarHBondContact O-CD 3.44Å; L541-P553 WeakPolarHBondContact O-CG 3.23Å; V543-P553 HydrophobicContact CB-CG 4.14Å; V543-P553 HydrophobicContact CG2-CG 4.31Å; T551-P553 VanDerWaalsContact O-CD 3.31Å; T551-P553 WeakPolarHBondContact O-CD 3.3Å
554S61.4Low60.1Low19 Ų1992.9 Ų92.913%0.13345%0.446CS..EExtended strand (participates in β ladder)trans-84.4133.4165.548.40000107.7A461 I539 Y552A461-S554 WeakPolarHBondContact CB-O 3.33Å; A461-S554 VanDerWaalsContact CB-OG 3.26Å; A461-S554 WeakPolarHBondContact CB-OG 2.96Å; I539-S554 WeakPolarHBondContact O-CA 3.32Å; Y552-S554 VanDerWaalsContact C-N 3.26Å; Y552-S554 PolarHBondContact O-N 2.94Å
555M74.3Confident62Low56 Ų5690.3 Ų90.328%0.27644%0.437SS..EExtended strand (participates in β ladder)trans-120.5147.6168.971.4171.7-173.600109.4I539 L541 W557I539-M555 HydrophobicContact CB-CG 4.36Å; I539-M555 HydrophobicContact CD1-CE 4.28Å; I539-M555 PolarHBondContact N-O 2.98Å; I539-M555 PolarHBondContact O-N 3.22Å; L541-M555 HydrophobicContact CD1-CB 4.33Å; L541-M555 HydrophobicContact CD1-CE 4.42Å; L541-M555 HydrophobicContact CD1-CG 3.86Å; L541-M555 HydrophobicContact CD1-SD 3.84Å; L541-M555 HydrophobicContact CD2-CE 4.28Å; L541-M555 HydrophobicContact CG-CG 4.36Å; M555-W557 HydrophobicContact CE-CB 4.11Å; M555-W557 HydrophobicContact CE-CG 4.36Å
556C82.3Confident64.3Low0 Ų083.8 Ų83.80%042%0.424CS..EExtended strand (participates in β ladder)trans-90.1111.4177.5-640000110.3C469 A473C469-C556 WeakPolarHBondContact CA-SG 3.5Å; C469-C556 HydrophobicContact CB-CB 4.14Å; C469-C556 WeakPolarHBondContact CB-SG 3.46Å; C469-C556 VanDerWaalsContact O-CB 3.3Å; C469-C556 WeakPolarHBondContact O-CB 3.01Å; C469-C556 VanDerWaalsContact SG-CA 3.57Å; C469-C556 WeakPolarHBondContact SG-CB 3.42Å; C469-C556 CovalentContact SG-SG 2.03Å; C469-C556 PolarHBondContact SG-SG 2.91Å; A473-C556 HydrophobicContact CB-CB 4.1Å
557W84.2Confident66.4Low43 Ų4381.5 Ų81.516%0.16341%0.41CS..EExtended strand (participates in β ladder)trans-149.5-174.2-176.9-170.4-108.1000112.5L476 H477 L480 G537 I539 M555L476-W557 HydrophobicContact CB-CE3 4.43Å; L476-W557 HydrophobicContact CB-CZ3 4.12Å; L476-W557 HydrophobicContact CD2-CE3 3.59Å; L476-W557 HydrophobicContact CD2-CZ3 3.73Å; L476-W557 HydrophobicContact CG-CE3 4Å; L476-W557 HydrophobicContact CG-CZ3 3.61Å; H477-W557 HydrophobicContact CB-CZ3 4.42Å; L480-W557 HydrophobicContact CD2-CH2 3.74Å; L480-W557 HydrophobicContact CD2-CZ2 4.34Å; G537-W557 PolarHBondContact N-O 2.64Å; G537-W557 PolarHBondContact O-N 3.11Å; I539-W557 HydrophobicContact CD1-CB 3.61Å; I539-W557 HydrophobicContact CD1-CG 4.11Å; I539-W557 HydrophobicContact CG1-CB 4.15Å; M555-W557 HydrophobicContact CE-CB 4.11Å; M555-W557 HydrophobicContact CE-CG 4.36Å
558I82.7Confident68.2Low5 Ų575.1 Ų75.13%0.02637%0.368CS..EExtended strand (participates in β ladder)trans-75.1119.9177.4-55.7168.9000109.4N535 Y536 I539 D560 V563N535-I558 CarbonylContact O-C 3.05Å; N535-I558 VanDerWaalsContact O-CA 3.27Å; N535-I558 WeakPolarHBondContact O-CA 3.4Å; Y536-I558 HydrophobicContact CD1-CG1 4Å; Y536-I558 HydrophobicContact CE1-CD1 4.31Å; Y536-I558 HydrophobicContact CE1-CG1 3.64Å; I539-I558 WeakPolarHBondContact CD1-O 3.44Å; I558-D560 WeakPolarHBondContact CG2-O 3.35Å; I558-V563 HydrophobicContact CG2-CB 4.05Å; I558-V563 HydrophobicContact CG2-CG1 4.03Å
559R77.2Confident69.9Low163 Ų16368.6 Ų68.662%0.61534%0.339SS*.SBendtrans-73.6-36.2-178.8-62.3179.775.3179.63.5112.9N534 N535N534-R559 WeakPolarHBondContact O-CD 3.48Å; N535-R559 PolarHBondContact O-N 2.62Å
560D76.8Confident72.4Confident64 Ų6460.5 Ų60.534%0.34232%0.32SS..  trans-83116.5178.9-168.8-21.4000110.4I558 L562 V563 S564I558-D560 WeakPolarHBondContact CG2-O 3.35Å; D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 2.77Å; D560-L562 WeakPolarHBondContact OD1-CB 3.26Å; D560-L562 PolarHBondContact OD1-N 2.7Å; D560-V563 HydrophobicContact CB-CB 4.16Å; D560-V563 HydrophobicContact CB-CG2 3.89Å; D560-V563 PolarHBondContact O-N 2.78Å; D560-S564 PolarHBondContact O-N 2.87Å; D560-S564 VanDerWaalsContact O-N 3.1Å
561S73.5Confident74.8Confident78 Ų7857.9 Ų57.955%0.54530%0.303SS..Hα-helixtrans-62.6-35.6179.258.20000111.9S564 Y565S561-S564 PolarHBondContact O-N 3.39Å; S561-Y565 WeakPolarHBondContact O-CB 3.16Å; S561-Y565 WeakPolarHBondContact O-CD2 2.97Å; S561-Y565 PolarHBondContact O-N 3.42Å
562L78.7Confident77Confident113 Ų11354.5 Ų54.559%0.59228%0.28SS*.Hα-helixtrans-67.2-44.9-179.3-172.2147.5000110.9D560 S564 Y565 V566D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 2.77Å; D560-L562 WeakPolarHBondContact OD1-CB 3.26Å; D560-L562 PolarHBondContact OD1-N 2.7Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 2.59Å; L562-Y565 PolarHBondContact O-N 3.29Å; L562-V566 HydrophobicContact CD2-CG2 4.12Å; L562-V566 WeakPolarHBondContact O-CB 2.9Å; L562-V566 WeakPolarHBondContact O-CG2 3.3Å; L562-V566 PolarHBondContact O-N 3.29Å
563V80.5Confident79.1Confident24 Ų2450 Ų5015%0.14527%0.268CS..Hα-helixtrans-59.7-48.4175.2177.60000109.9V528 I558 D560 Y565 V566 T567V528-V563 HydrophobicContact CG1-CG1 3.66Å; V528-V563 HydrophobicContact CG2-CG1 4.26Å; I558-V563 HydrophobicContact CG2-CB 4.05Å; I558-V563 HydrophobicContact CG2-CG1 4.03Å; D560-V563 HydrophobicContact CB-CB 4.16Å; D560-V563 HydrophobicContact CB-CG2 3.89Å; D560-V563 PolarHBondContact O-N 2.78Å; V563-Y565 PolarHBondContact O-N 3.41Å; V563-V566 PolarHBondContact O-N 3.36Å; V563-T567 HydrophobicContact CG1-CG2 4.18Å; V563-T567 WeakPolarHBondContact O-CG2 3.1Å; V563-T567 PolarHBondContact O-N 2.9Å; V563-T567 PolarHBondContact O-OG1 3.27Å
564S79.1Confident80.8Confident26 Ų2653.8 Ų53.818%0.18229%0.287CS..Hα-helixtrans-60.8-40.8178.6-176.20000112.7D560 S561 L562 N568D560-S564 PolarHBondContact O-N 2.87Å; D560-S564 VanDerWaalsContact O-N 3.1Å; S561-S564 PolarHBondContact O-N 3.39Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 2.59Å; S564-N568 WeakPolarHBondContact O-CB 3.37Å; S564-N568 PolarHBondContact O-N 3.06Å; S564-N568 PolarHBondContact O-ND2 3.13Å; S564-N568 PolarHBondContact OG-ND2 3.39Å
565Y79.9Confident82.1Confident125 Ų12553.8 Ų53.849%0.4929%0.286SS..Iπ-helixtrans-65.9-48.4176.4-77.7-56.9000111.7S561 L562 V563 L569 G570 F624S561-Y565 WeakPolarHBondContact O-CB 3.16Å; S561-Y565 WeakPolarHBondContact O-CD2 2.97Å; S561-Y565 PolarHBondContact O-N 3.42Å; L562-Y565 PolarHBondContact O-N 3.29Å; V563-Y565 PolarHBondContact O-N 3.41Å; Y565-L569 HydrophobicContact CD1-CB 4.44Å; Y565-L569 HydrophobicContact CD1-CD2 3.95Å; Y565-L569 HydrophobicContact CE1-CD2 4.5Å; Y565-L569 WeakPolarHBondContact O-CA 3.42Å; Y565-L569 WeakPolarHBondContact O-CB 3.43Å; Y565-L569 PolarHBondContact O-N 3.41Å; Y565-G570 PolarHBondContact O-N 3.47Å; Y565-F624 HydrophobicContact CE1-CE1 4.18Å; Y565-F624 HydrophobicContact CE1-CZ 4.13Å
566V84.2Confident82.8Confident99 Ų9953 Ų5360%0.628%0.281SS*.Iπ-helixtrans-66.4-47.1-176.8173.50000111.2L562 V563L562-V566 HydrophobicContact CD2-CG2 4.12Å; L562-V566 WeakPolarHBondContact O-CB 2.9Å; L562-V566 WeakPolarHBondContact O-CG2 3.3Å; L562-V566 PolarHBondContact O-N 3.29Å; V563-V566 PolarHBondContact O-N 3.36Å
567T83Confident83.1Confident19 Ų1958.2 Ų58.212%0.11731%0.308CS..Iπ-helixtrans-75.7-43.5-175.8650000112H477 V528 V563 L571H477-T567 PolarHBondContact NE2-OG1 3.47Å; V528-T567 HydrophobicContact CG2-CG2 3.86Å; V563-T567 HydrophobicContact CG1-CG2 4.18Å; V563-T567 WeakPolarHBondContact O-CG2 3.1Å; V563-T567 PolarHBondContact O-N 2.9Å; V563-T567 PolarHBondContact O-OG1 3.27Å; T567-L571 WeakPolarHBondContact O-CB 3.41Å; T567-L571 WeakPolarHBondContact O-CD1 3.22Å; T567-L571 WeakPolarHBondContact O-CG 3.33Å
568N84.6Confident83.4Confident6 Ų660.4 Ų60.43%0.03232%0.319CS..Iπ-helixtrans-88.5-57.6-175.4-57.2-53.7000111.7H477 S564 G570 L571 F572H477-N568 PolarHBondContact CD2-OD1 3.43Å; H477-N568 PolarHBondContact NE2-OD1 2.97Å; S564-N568 WeakPolarHBondContact O-CB 3.37Å; S564-N568 PolarHBondContact O-N 3.06Å; S564-N568 PolarHBondContact O-ND2 3.13Å; S564-N568 PolarHBondContact OG-ND2 3.39Å; N568-G570 VanDerWaalsContact C-N 3.34Å; N568-G570 PolarHBondContact O-N 3.4Å; N568-L571 PolarHBondContact O-N 2.71Å; N568-F572 HydrophobicContact CB-CD2 4.35Å; N568-F572 HydrophobicContact CB-CE2 3.85Å; N568-F572 HydrophobicContact CB-CZ 4.26Å; N568-F572 WeakPolarHBondContact O-CB 3.45Å; N568-F572 WeakPolarHBondContact O-CD2 3.27Å; N568-F572 WeakPolarHBondContact O-CG 3.36Å; N568-F572 PolarHBondContact O-N 2.98Å
569L82.3Confident83.7Confident46 Ų4660.4 Ų60.424%0.24132%0.319CS..Iπ-helixtrans-66.8-35.9-174.7-173.663.7000112.5Y565 F572 S573 V620 F624Y565-L569 HydrophobicContact CD1-CB 4.44Å; Y565-L569 HydrophobicContact CD1-CD2 3.95Å; Y565-L569 HydrophobicContact CE1-CD2 4.5Å; Y565-L569 WeakPolarHBondContact O-CA 3.42Å; Y565-L569 WeakPolarHBondContact O-CB 3.43Å; Y565-L569 PolarHBondContact O-N 3.41Å; L569-F572 HydrophobicContact CD1-CD2 4.45Å; L569-F572 PolarHBondContact O-N 3.33Å; L569-S573 WeakPolarHBondContact O-CB 3.38Å; L569-S573 PolarHBondContact O-N 2.96Å; L569-S573 PolarHBondContact O-OG 3.14Å; L569-V620 HydrophobicContact CD1-CG1 4.22Å; L569-F624 HydrophobicContact CD1-CD2 4.43Å; L569-F624 HydrophobicContact CD1-CE2 3.9Å; L569-F624 HydrophobicContact CD2-CE2 4.09Å; L569-F624 HydrophobicContact CD2-CZ 4.31Å
570G85.8Confident84.3Confident39 Ų3956.8 Ų56.840%0.40231%0.311SS..Hα-helixtrans-58.5-48.1172.200000112.2Y565 N568 S573 L574Y565-G570 PolarHBondContact O-N 3.47Å; N568-G570 VanDerWaalsContact C-N 3.34Å; N568-G570 PolarHBondContact O-N 3.4Å; G570-S573 PolarHBondContact O-N 3.28Å; G570-L574 PolarHBondContact O-N 2.96Å
571L86Confident85Confident26 Ų2656.2 Ų56.214%0.13632%0.315CS..Hα-helixtrans-71.7-37.2178.5-68.7177.3000113.1L481 L484 F520 L524 T567 N568 S573 L574 V575L481-L571 HydrophobicContact CD1-CD1 4.49Å; L481-L571 HydrophobicContact CD2-CD1 3.51Å; L484-L571 HydrophobicContact CD1-CB 4.4Å; F520-L571 HydrophobicContact CE1-CD1 4Å; F520-L571 HydrophobicContact CE1-CD2 3.88Å; F520-L571 HydrophobicContact CZ-CD1 4.32Å; F520-L571 HydrophobicContact CZ-CD2 3.78Å; L524-L571 HydrophobicContact CD1-CD1 3.46Å; L524-L571 VanDerWaalsContact CD1-CD1 3.46Å; T567-L571 WeakPolarHBondContact O-CB 3.41Å; T567-L571 WeakPolarHBondContact O-CD1 3.22Å; T567-L571 WeakPolarHBondContact O-CG 3.33Å; N568-L571 PolarHBondContact O-N 2.71Å; L571-S573 VanDerWaalsContact C-N 3.31Å; L571-S573 PolarHBondContact O-N 3.23Å; L571-L574 HydrophobicContact CD2-CD2 4.38Å; L571-L574 PolarHBondContact O-N 3.23Å; L571-V575 WeakPolarHBondContact O-CG2 3.46Å; L571-V575 PolarHBondContact O-N 2.99Å
572F86.3Confident85.6Confident30 Ų3053.6 Ų53.613%0.13230%0.295CS..Hα-helixtrans-56.1-48.2172.3-68.7-36.2000110.9L480 L484 N568 L569 L574 V575 F576 W617L480-F572 HydrophobicContact CD1-CE1 4.19Å; L480-F572 HydrophobicContact CD1-CZ 4.11Å; L480-F572 HydrophobicContact CD2-CE1 4.41Å; L480-F572 HydrophobicContact CD2-CZ 3.88Å; L480-F572 HydrophobicContact CG-CE1 4.37Å; L480-F572 HydrophobicContact CG-CZ 4.27Å; L484-F572 HydrophobicContact CD1-CD1 3.29Å; L484-F572 HydrophobicContact CD1-CE1 3.27Å; L484-F572 HydrophobicContact CD1-CG 4.41Å; L484-F572 HydrophobicContact CD1-CZ 4.37Å; L484-F572 HydrophobicContact CD2-CD1 3.4Å; L484-F572 HydrophobicContact CD2-CE1 3.56Å; L484-F572 HydrophobicContact CG-CD1 3.87Å; L484-F572 HydrophobicContact CG-CE1 3.76Å; N568-F572 HydrophobicContact CB-CD2 4.35Å; N568-F572 HydrophobicContact CB-CE2 3.85Å; N568-F572 HydrophobicContact CB-CZ 4.26Å; N568-F572 WeakPolarHBondContact O-CB 3.45Å; N568-F572 WeakPolarHBondContact O-CD2 3.27Å; N568-F572 WeakPolarHBondContact O-CG 3.36Å; N568-F572 PolarHBondContact O-N 2.98Å; L569-F572 HydrophobicContact CD1-CD2 4.45Å; L569-F572 PolarHBondContact O-N 3.33Å; F572-L574 PolarHBondContact O-N 3.37Å; F572-V575 PolarHBondContact O-N 3.12Å; F572-F576 VanDerWaalsContact O-CB 3.27Å; F572-F576 WeakPolarHBondContact O-CB 3.38Å; F572-F576 PolarHBondContact O-N 2.7Å; F572-W617 HydrophobicContact CB-CE3 4.49Å; F572-W617 HydrophobicContact CD1-CD2 4.42Å; F572-W617 AromaticContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CH2 4.1Å; F572-W617 AromaticContact CD1-CZ3 3.44Å; F572-W617 HydrophobicContact CD1-CZ3 3.44Å; F572-W617 VanDerWaalsContact CD1-CZ3 3.44Å; F572-W617 AromaticContact CE1-CE3 3.93Å; F572-W617 HydrophobicContact CE1-CE3 3.93Å; F572-W617 AromaticContact CE1-CH2 3.68Å; F572-W617 HydrophobicContact CE1-CH2 3.68Å; F572-W617 AromaticContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CG-CE3 4.09Å; F572-W617 HydrophobicContact CG-CZ3 4.19Å; F572-W617 HydrophobicContact CZ-CH2 4.48Å; F572-W617 AromaticContact CZ-CZ3 3.83Å; F572-W617 HydrophobicContact CZ-CZ3 3.83Å
573S85.9Confident86.1Confident40 Ų4049.4 Ų49.428%0.2827%0.273SS..Hα-helixtrans-63.7-42.4-180-56.30000111.4L569 G570 L571 F576 L577L569-S573 WeakPolarHBondContact O-CB 3.38Å; L569-S573 PolarHBondContact O-N 2.96Å; L569-S573 PolarHBondContact O-OG 3.14Å; G570-S573 PolarHBondContact O-N 3.28Å; L571-S573 VanDerWaalsContact C-N 3.31Å; L571-S573 PolarHBondContact O-N 3.23Å; S573-F576 PolarHBondContact O-N 3.2Å; S573-L577 WeakPolarHBondContact O-CB 3.29Å; S573-L577 VanDerWaalsContact O-CG 3.27Å; S573-L577 WeakPolarHBondContact O-CG 3.28Å; S573-L577 PolarHBondContact O-N 3.03Å
574L89Confident86.5Confident109 Ų10950.7 Ų50.757%0.57129%0.286SS*.Hα-helixtrans-62.7-48.8177.9-177.366000112.1G570 L571 F572 L577 F578G570-L574 PolarHBondContact O-N 2.96Å; L571-L574 HydrophobicContact CD2-CD2 4.38Å; L571-L574 PolarHBondContact O-N 3.23Å; F572-L574 PolarHBondContact O-N 3.37Å; L574-L577 PolarHBondContact O-N 3.44Å; L574-F578 VanDerWaalsContact O-CB 3.28Å; L574-F578 WeakPolarHBondContact O-CB 3.45Å; L574-F578 PolarHBondContact O-N 2.8Å
575V88.5Confident86.9Confident19 Ų1952.5 Ų52.512%0.11530%0.296CS..Hα-helixtrans-65.9-39.4179.6172.90000111.1L484 L571 F572 F578 N579L484-V575 HydrophobicContact CB-CG2 4.4Å; L571-V575 WeakPolarHBondContact O-CG2 3.46Å; L571-V575 PolarHBondContact O-N 2.99Å; F572-V575 PolarHBondContact O-N 3.12Å; V575-F578 PolarHBondContact O-N 3.14Å; V575-N579 WeakPolarHBondContact O-CB 3.36Å; V575-N579 PolarHBondContact O-N 2.82Å
576F87.3Confident87.1Confident40 Ų4046.7 Ų46.718%0.17527%0.274CS..Hα-helixtrans-60.6-51.9175.4172.1-109.7000111.9F572 S573 F578 N579 L580 W617 A618F572-F576 VanDerWaalsContact O-CB 3.27Å; F572-F576 WeakPolarHBondContact O-CB 3.38Å; F572-F576 PolarHBondContact O-N 2.7Å; S573-F576 PolarHBondContact O-N 3.2Å; F576-F578 VanDerWaalsContact C-N 3.31Å; F576-F578 PolarHBondContact O-N 3.45Å; F576-N579 PolarHBondContact O-N 2.02Å; F576-L580 HydrophobicContact CE1-CD2 4.26Å; F576-L580 HydrophobicContact CZ-CD2 4.08Å; F576-L580 WeakPolarHBondContact O-CB 3.41Å; F576-L580 PolarHBondContact O-N 3.36Å; F576-W617 HydrophobicContact CB-CB 3.96Å; F576-W617 HydrophobicContact CD2-CB 4.07Å; F576-W617 HydrophobicContact CG-CB 4.3Å; F576-A618 HydrophobicContact CD2-CB 4.44Å; F576-A618 HydrophobicContact CE2-CB 3.66Å; F576-A618 HydrophobicContact CZ-CB 4.01Å
577L89.9Confident87.2Confident109 Ų10944.2 Ų44.257%0.57126%0.259SS*.Hα-helixtrans-61-41.9178.6-70.6174000111.5S573 L574 A581S573-L577 WeakPolarHBondContact O-CB 3.29Å; S573-L577 VanDerWaalsContact O-CG 3.27Å; S573-L577 WeakPolarHBondContact O-CG 3.28Å; S573-L577 PolarHBondContact O-N 3.03Å; L574-L577 PolarHBondContact O-N 3.44Å; L577-A581 WeakPolarHBondContact O-CB 3.33Å; L577-A581 PolarHBondContact O-N 2.75Å
578F90.9Very high87.4Confident88 Ų8846.5 Ų46.539%0.38627%0.273SS..Hα-helixtrans-61.2-54.7176.8-178.8-104.4000111.4G488 Y492 L574 V575 F576 L580 A581 M582G488-F578 WeakPolarHBondContact O-CE1 3.36Å; Y492-F578 HydrophobicContact CD2-CZ 4.25Å; Y492-F578 HydrophobicContact CG-CZ 4.49Å; L574-F578 VanDerWaalsContact O-CB 3.28Å; L574-F578 WeakPolarHBondContact O-CB 3.45Å; L574-F578 PolarHBondContact O-N 2.8Å; V575-F578 PolarHBondContact O-N 3.14Å; F576-F578 VanDerWaalsContact C-N 3.31Å; F576-F578 PolarHBondContact O-N 3.45Å; F578-L580 VanDerWaalsContact C-N 3.31Å; F578-L580 PolarHBondContact O-N 3.48Å; F578-A581 WeakPolarHBondContact O-CB 3.18Å; F578-A581 PolarHBondContact O-N 3.32Å; F578-A581 VanDerWaalsContact O-N 3.15Å; F578-M582 HydrophobicContact CD1-CG 4.2Å; F578-M582 HydrophobicContact CD2-SD 4.38Å; F578-M582 HydrophobicContact CE1-CG 3.9Å; F578-M582 HydrophobicContact CE1-SD 4.36Å; F578-M582 HydrophobicContact CE2-CG 4.34Å; F578-M582 HydrophobicContact CE2-SD 3.83Å; F578-M582 HydrophobicContact CZ-CG 3.98Å; F578-M582 HydrophobicContact CZ-SD 3.82Å; F578-M582 VanDerWaalsContact O-CG 3.27Å; F578-M582 WeakPolarHBondContact O-CG 3.48Å; F578-M582 PolarHBondContact O-N 3.21Å
579N88.9Confident87.4Confident6 Ų649 Ų493%0.03228%0.284CS..Hα-helixtrans-63-35.7179.5-81.8-24.4000112.7M487 G491 V575 F576 M582 L583M487-N579 PolarHBondContact O-ND2 3.46Å; G491-N579 WeakPolarHBondContact CA-OD1 3.37Å; V575-N579 WeakPolarHBondContact O-CB 3.36Å; V575-N579 PolarHBondContact O-N 2.82Å; F576-N579 PolarHBondContact O-N 2.02Å; N579-M582 PolarHBondContact O-N 2.72Å; N579-L583 VanDerWaalsContact O-CB 3.23Å; N579-L583 WeakPolarHBondContact O-CB 3.38Å; N579-L583 PolarHBondContact O-N 3.49Å
580L89.2Confident87.4Confident86 Ų8647.7 Ų47.745%0.4528%0.277SS..Hα-helixtrans-63.3-42.9174.5-178.762.9000111.5F576 F578 L583 A584F576-L580 HydrophobicContact CE1-CD2 4.26Å; F576-L580 HydrophobicContact CZ-CD2 4.08Å; F576-L580 WeakPolarHBondContact O-CB 3.41Å; F576-L580 PolarHBondContact O-N 3.36Å; F578-L580 VanDerWaalsContact C-N 3.31Å; F578-L580 PolarHBondContact O-N 3.48Å; L580-L583 PolarHBondContact O-N 3.43Å; L580-A584 WeakPolarHBondContact O-CB 3.33Å; L580-A584 PolarHBondContact O-N 3.35Å
581A90.6Very high87.3Confident52 Ų5252.1 Ų52.143%0.4329%0.291SS..Hα-helixtrans-64.9-43.4175.300000111.9L577 F578 A584 T585L577-A581 WeakPolarHBondContact O-CB 3.33Å; L577-A581 PolarHBondContact O-N 2.75Å; F578-A581 WeakPolarHBondContact O-CB 3.18Å; F578-A581 PolarHBondContact O-N 3.32Å; F578-A581 VanDerWaalsContact O-N 3.15Å; A581-A584 PolarHBondContact O-N 3.37Å; A581-T585 WeakPolarHBondContact O-CG2 3.48Å; A581-T585 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 3.39Å
582M88Confident87.1Confident23 Ų2359.9 Ų59.911%0.11332%0.318CS..Hα-helixtrans-61.8-43.4175.1-57.8-39.2-64.800111.4Y492 Y495 F578 N579 T585 M586Y492-M582 HydrophobicContact CD2-CE 4.03Å; Y495-M582 HydrophobicContact CD1-CE 3.19Å; Y495-M582 HydrophobicContact CD2-CE 3.39Å; Y495-M582 HydrophobicContact CE1-CE 3.78Å; Y495-M582 HydrophobicContact CE2-CE 3.92Å; Y495-M582 HydrophobicContact CG-CE 2.98Å; F578-M582 HydrophobicContact CD1-CG 4.2Å; F578-M582 HydrophobicContact CD2-SD 4.38Å; F578-M582 HydrophobicContact CE1-CG 3.9Å; F578-M582 HydrophobicContact CE1-SD 4.36Å; F578-M582 HydrophobicContact CE2-CG 4.34Å; F578-M582 HydrophobicContact CE2-SD 3.83Å; F578-M582 HydrophobicContact CZ-CG 3.98Å; F578-M582 HydrophobicContact CZ-SD 3.82Å; F578-M582 VanDerWaalsContact O-CG 3.27Å; F578-M582 WeakPolarHBondContact O-CG 3.48Å; F578-M582 PolarHBondContact O-N 3.21Å; N579-M582 PolarHBondContact O-N 2.72Å; M582-T585 PolarHBondContact O-OG1 3.28Å; M582-M586 VanDerWaalsContact O-CB 3.25Å; M582-M586 WeakPolarHBondContact O-CB 3.31Å; M582-M586 PolarHBondContact O-N 2.89Å
583L87.7Confident86.5Confident25 Ų2562.3 Ų62.313%0.13133%0.332CS..Hα-helixtrans-63.4-47.1177171.957.1000111.6N579 L580 T585 M586 V587 L607 S610 L611N579-L583 VanDerWaalsContact O-CB 3.23Å; N579-L583 WeakPolarHBondContact O-CB 3.38Å; N579-L583 PolarHBondContact O-N 3.49Å; L580-L583 PolarHBondContact O-N 3.43Å; L583-T585 PolarHBondContact O-N 3.11Å; L583-M586 HydrophobicContact CD1-CE 3.89Å; L583-M586 PolarHBondContact O-N 2.85Å; L583-V587 HydrophobicContact CD1-CG2 3.82Å; L583-V587 WeakPolarHBondContact O-CG2 3.35Å; L583-V587 PolarHBondContact O-N 3.28Å; L583-L607 HydrophobicContact CD1-CD1 3.48Å; L583-L607 VanDerWaalsContact CD1-CD1 3.48Å; L583-S610 WeakPolarHBondContact CD1-OG 3.07Å; L583-L611 HydrophobicContact CD2-CD2 4.1Å
584A88.7Confident85.4Confident52 Ų5270.5 Ų70.543%0.4336%0.357SS..Hα-helixtrans-60.1-45.1179.200000111.7L580 A581 V587 V588L580-A584 WeakPolarHBondContact O-CB 3.33Å; L580-A584 PolarHBondContact O-N 3.35Å; A581-A584 PolarHBondContact O-N 3.37Å; A584-V587 PolarHBondContact O-N 2.88Å; A584-V588 VanDerWaalsContact O-CG2 3.26Å; A584-V588 WeakPolarHBondContact O-CG2 3.17Å; A584-V588 PolarHBondContact O-N 3.49Å
585T87.2Confident84.1Confident64 Ų6469.3 Ų69.339%0.39336%0.356SS..Hα-helixtrans-66-41.1176.953.10000112.3Y495 A581 M582 L583 V588 Q589Y495-T585 WeakPolarHBondContact CD2-OG1 3.31Å; Y495-T585 WeakPolarHBondContact CE2-OG1 3.46Å; A581-T585 WeakPolarHBondContact O-CG2 3.48Å; A581-T585 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 3.39Å; M582-T585 PolarHBondContact O-OG1 3.28Å; L583-T585 PolarHBondContact O-N 3.11Å; T585-V588 PolarHBondContact O-N 2.98Å; T585-Q589 WeakPolarHBondContact O-CB 3.48Å; T585-Q589 PolarHBondContact O-N 2.84Å
586M85.9Confident82.6Confident2 Ų277.3 Ų77.31%0.0139%0.391CS..Hα-helixtrans-59-47.6174-171.9-177.274.100111.5L494 V498 M582 L583 Q589 I590L494-M586 HydrophobicContact CB-SD 4.41Å; V498-M586 HydrophobicContact CB-CG 3.87Å; V498-M586 HydrophobicContact CG1-CG 3.84Å; V498-M586 HydrophobicContact CG2-CG 3.84Å; V498-M586 HydrophobicContact CG2-SD 3.93Å; M582-M586 VanDerWaalsContact O-CB 3.25Å; M582-M586 WeakPolarHBondContact O-CB 3.31Å; M582-M586 PolarHBondContact O-N 2.89Å; L583-M586 HydrophobicContact CD1-CE 3.89Å; L583-M586 PolarHBondContact O-N 2.85Å; M586-Q589 PolarHBondContact O-N 3.42Å; M586-I590 HydrophobicContact CE-CD1 4.4Å; M586-I590 HydrophobicContact CG-CD1 3.81Å; M586-I590 WeakPolarHBondContact O-CB 3.46Å; M586-I590 WeakPolarHBondContact O-CD1 3.27Å; M586-I590 VanDerWaalsContact O-CG1 3.23Å; M586-I590 WeakPolarHBondContact O-CG1 3.48Å; M586-I590 PolarHBondContact O-N 2.85Å
587V86.2Confident81.4Confident48 Ų4880.3 Ų80.329%0.29142%0.418SS..Hα-helixtrans-62.6-46177.6169.80000111.2L583 A584 Q589 I590 L591 L607L583-V587 HydrophobicContact CD1-CG2 3.82Å; L583-V587 WeakPolarHBondContact O-CG2 3.35Å; L583-V587 PolarHBondContact O-N 3.28Å; A584-V587 PolarHBondContact O-N 2.88Å; V587-Q589 VanDerWaalsContact C-N 3.29Å; V587-Q589 PolarHBondContact O-N 2.75Å; V587-I590 PolarHBondContact O-N 3.27Å; V587-L591 HydrophobicContact CG1-CD1 3.8Å; V587-L591 HydrophobicContact CG1-CG 4.29Å; V587-L591 WeakPolarHBondContact O-CB 3.45Å; V587-L591 VanDerWaalsContact O-CG 3.24Å; V587-L591 WeakPolarHBondContact O-CG 3.32Å; V587-L591 PolarHBondContact O-N 3.49Å; V587-L607 HydrophobicContact CG2-CD1 4.04Å
588V87.2Confident80.2Confident67 Ų6776.8 Ų76.841%0.40640%0.398SS..Hα-helixtrans-58.6-42.3176.6169.30000111.1A584 T585 L591 R592A584-V588 VanDerWaalsContact O-CG2 3.26Å; A584-V588 WeakPolarHBondContact O-CG2 3.17Å; A584-V588 PolarHBondContact O-N 3.49Å; T585-V588 PolarHBondContact O-N 2.98Å; V588-L591 PolarHBondContact O-N 3.37Å; V588-R592 VanDerWaalsContact O-CG 3.27Å; V588-R592 WeakPolarHBondContact O-CG 3.39Å; V588-R592 PolarHBondContact O-N 3.39Å
589Q84.4Confident79.3Confident58 Ų5878.6 Ų78.627%0.27141%0.412SS..Hα-helixtrans-70-39.5178.9-168.467.9-1.400112.5V499 T585 M586 V587 L591 R592 L593V499-Q589 HydrophobicContact CG2-CB 3.99Å; V499-Q589 HydrophobicContact CG2-CG 4.11Å; T585-Q589 WeakPolarHBondContact O-CB 3.48Å; T585-Q589 PolarHBondContact O-N 2.84Å; M586-Q589 PolarHBondContact O-N 3.42Å; V587-Q589 VanDerWaalsContact C-N 3.29Å; V587-Q589 PolarHBondContact O-N 2.75Å; Q589-L591 VanDerWaalsContact C-N 3.32Å; Q589-L591 PolarHBondContact O-N 3.38Å; Q589-R592 PolarHBondContact O-N 3.09Å; Q589-L593 WeakPolarHBondContact O-CG 3.49Å; Q589-L593 PolarHBondContact O-N 3.39Å; Q589-L593 VanDerWaalsContact O-N 3.08Å
590I82Confident78.7Confident19 Ų1985.1 Ų85.110%0.09744%0.436CS..Hα-helixtrans-60-43.4174.2-71.7161.8000110.6V498 M586 V587 R592 L593 Q598 V603V498-I590 HydrophobicContact CG1-CD1 4.24Å; V498-I590 HydrophobicContact CG1-CG1 3.75Å; M586-I590 HydrophobicContact CE-CD1 4.4Å; M586-I590 HydrophobicContact CG-CD1 3.81Å; M586-I590 WeakPolarHBondContact O-CB 3.46Å; M586-I590 WeakPolarHBondContact O-CD1 3.27Å; M586-I590 VanDerWaalsContact O-CG1 3.23Å; M586-I590 WeakPolarHBondContact O-CG1 3.48Å; M586-I590 PolarHBondContact O-N 2.85Å; V587-I590 PolarHBondContact O-N 3.27Å; I590-R592 VanDerWaalsContact C-N 3.32Å; I590-R592 PolarHBondContact O-N 2.79Å; I590-L593 PolarHBondContact O-N 3.48Å; I590-Q598 PolarHBondContact O-NE2 3.39Å; I590-Q598 VanDerWaalsContact O-NE2 3.08Å; I590-V603 HydrophobicContact CD1-CG1 4.14Å; I590-V603 HydrophobicContact CG2-CG1 3.76Å
591L83.4Confident78.3Confident132 Ų13284.9 Ų84.969%0.69144%0.44SS*.Hα-helixtrans-69-27.5178.2-68.2172.5000113V587 V588 Q589V587-L591 HydrophobicContact CG1-CD1 3.8Å; V587-L591 HydrophobicContact CG1-CG 4.29Å; V587-L591 WeakPolarHBondContact O-CB 3.45Å; V587-L591 VanDerWaalsContact O-CG 3.24Å; V587-L591 WeakPolarHBondContact O-CG 3.32Å; V587-L591 PolarHBondContact O-N 3.49Å; V588-L591 PolarHBondContact O-N 3.37Å; Q589-L591 VanDerWaalsContact C-N 3.32Å; Q589-L591 PolarHBondContact O-N 3.38Å
592R82.2Confident77.7Confident189 Ų18985.6 Ų85.671%0.71343%0.434SS*.Hα-helixtrans-75.1-30.2174.1-75.4172.4-178.6-171.60.7112.9V588 Q589 I590 R594V588-R592 VanDerWaalsContact O-CG 3.27Å; V588-R592 WeakPolarHBondContact O-CG 3.39Å; V588-R592 PolarHBondContact O-N 3.39Å; Q589-R592 PolarHBondContact O-N 3.09Å; I590-R592 VanDerWaalsContact C-N 3.32Å; I590-R592 PolarHBondContact O-N 2.79Å; R592-R594 PolarHBondContact O-N 3.48Å
593L74Confident77.3Confident80 Ų8085.5 Ų85.542%0.41944%0.435SS..SBendtrans-71.3126.2176-73.6162000109.1Q589 I590Q589-L593 WeakPolarHBondContact O-CG 3.49Å; Q589-L593 PolarHBondContact O-N 3.39Å; Q589-L593 VanDerWaalsContact O-N 3.08Å; I590-L593 PolarHBondContact O-N 3.48Å
594R61.6Low77.1Confident213 Ų21390 Ų9080%0.80446%0.458SS*.  trans-56.9127.3-173.1-158.8-179.8-74.6-160.9-1.5109.9R592 H596R592-R594 PolarHBondContact O-N 3.48Å; R594-H596 PolarHBondContact O-N 3.02Å
595P62.6Low76.8Confident84 Ų8488.8 Ų88.855%0.54545%0.445SS..G310 helixtrans-64.4-8.4-167.521.1-32.8000115.5W600P595-W600 HydrophobicContact CB-CZ2 4.39Å
596H57.4Low76.6Confident186 Ų18686.1 Ų86.186%0.86143%0.429SS*.G310 helixtrans-83.7-9.2-171-146.453.3000114.8R594R594-H596 PolarHBondContact O-N 3.02Å
597S60.8Low76.6Confident104 Ų10488.6 Ų88.673%0.72744%0.442SS*.G310 helixtrans-1162.4178.8660000114.5
598Q65.3Low76.5Confident34 Ų3487.8 Ų87.816%0.15944%0.443CS..  trans-91.2131.6-173-74.5-178.1-11.600112.2I590 W600 V603I590-Q598 PolarHBondContact O-NE2 3.39Å; I590-Q598 VanDerWaalsContact O-NE2 3.08Å; Q598-W600 VanDerWaalsContact C-N 3.26Å; Q598-W600 PolarHBondContact O-N 2.88Å; Q598-V603 HydrophobicContact CB-CG2 4.49Å
599N72.1Confident76.4Confident126 Ų12684.9 Ų84.967%0.67443%0.425SS*.  trans-72.885164.1-68.8-31.1000108.6P601 H602 V603N599-P601 VanDerWaalsContact C-N 3.25Å; N599-P601 VanDerWaalsContact O-N 3.15Å; N599-H602 HydrophobicContact CB-CB 4.04Å; N599-H602 WeakPolarHBondContact O-CA 3.48Å; N599-H602 VanDerWaalsContact O-CB 3.29Å; N599-H602 WeakPolarHBondContact O-CB 3.37Å; N599-H602 PolarHBondContact O-N 3.35Å; N599-V603 PolarHBondContact O-N 3.26Å; N599-V603 VanDerWaalsContact O-N 3.16Å
600W77.1Confident76.4Confident144 Ų14482.5 Ų82.555%0.54542%0.415SS..Hα-helixtrans-45.6-40.3177.7-81.9101.3000114.6P595 Q598 H602 V603 L604P595-W600 HydrophobicContact CB-CZ2 4.39Å; Q598-W600 VanDerWaalsContact C-N 3.26Å; Q598-W600 PolarHBondContact O-N 2.88Å; W600-H602 VanDerWaalsContact C-N 3.28Å; W600-H602 PolarHBondContact O-N 3.09Å; W600-V603 PolarHBondContact O-N 3.36Å; W600-L604 WeakPolarHBondContact O-CB 3.34Å; W600-L604 PolarHBondContact O-N 3.09Å
601P79.2Confident76.5Confident81 Ų8185.1 Ų85.153%0.52643%0.429SS..Hα-helixtrans-59.1-39.2175.2-25.835.5000113N599 L604 T605N599-P601 VanDerWaalsContact C-N 3.25Å; N599-P601 VanDerWaalsContact O-N 3.15Å; P601-L604 PolarHBondContact O-N 3.33Å; P601-T605 WeakPolarHBondContact O-CG2 3.22Å; P601-T605 PolarHBondContact O-N 2.85Å; P601-T605 PolarHBondContact O-OG1 3.28Å
602H78.1Confident76.6Confident66 Ų6680.1 Ų80.131%0.30640%0.404SS..Hα-helixtrans-68.9-45.4179.2-163.671.8000111.2N599 W600 L604 T605 L606 M655N599-H602 HydrophobicContact CB-CB 4.04Å; N599-H602 WeakPolarHBondContact O-CA 3.48Å; N599-H602 VanDerWaalsContact O-CB 3.29Å; N599-H602 WeakPolarHBondContact O-CB 3.37Å; N599-H602 PolarHBondContact O-N 3.35Å; W600-H602 VanDerWaalsContact C-N 3.28Å; W600-H602 PolarHBondContact O-N 3.09Å; H602-L604 VanDerWaalsContact C-N 3.31Å; H602-L604 PolarHBondContact O-N 2.92Å; H602-T605 WeakPolarHBondContact CA-OG1 3.34Å; H602-T605 PolarHBondContact O-N 2.81Å; H602-T605 PolarHBondContact O-OG1 3.07Å; H602-L606 WeakPolarHBondContact O-CG 3.06Å; H602-L606 PolarHBondContact O-N 3.03Å; H602-M655 WeakPolarHBondContact CE1-CE 3.41Å; H602-M655 VanDerWaalsContact CE1-SD 3.53Å
603V81.2Confident76.6Confident22 Ų2271.1 Ų71.113%0.13337%0.37CS..Hα-helixtrans-58.2-45175.61750000110.9I590 Q598 N599 W600 T605 L606 L607I590-V603 HydrophobicContact CD1-CG1 4.14Å; I590-V603 HydrophobicContact CG2-CG1 3.76Å; Q598-V603 HydrophobicContact CB-CG2 4.49Å; N599-V603 PolarHBondContact O-N 3.26Å; N599-V603 VanDerWaalsContact O-N 3.16Å; W600-V603 PolarHBondContact O-N 3.36Å; V603-T605 VanDerWaalsContact C-N 3.35Å; V603-T605 PolarHBondContact O-N 2.78Å; V603-L606 PolarHBondContact O-N 3.24Å; V603-L607 WeakPolarHBondContact O-CB 3.4Å; V603-L607 PolarHBondContact O-N 2.92Å
604L83.5Confident77Confident119 Ų11968 Ų6862%0.62336%0.357SS*.Hα-helixtrans-63.5-40177.9-174.562.1000111.8W600 P601 H602 L607 G608W600-L604 WeakPolarHBondContact O-CB 3.34Å; W600-L604 PolarHBondContact O-N 3.09Å; P601-L604 PolarHBondContact O-N 3.33Å; H602-L604 VanDerWaalsContact C-N 3.31Å; H602-L604 PolarHBondContact O-N 2.92Å; L604-L607 PolarHBondContact O-N 3.04Å; L604-G608 PolarHBondContact O-N 3.41Å
605T82Confident78.1Confident26 Ų2661.6 Ų61.616%0.1634%0.338CS..Hα-helixtrans-66.4-36.8175.553.40000113.3P601 H602 V603 L609 W651P601-T605 WeakPolarHBondContact O-CG2 3.22Å; P601-T605 PolarHBondContact O-N 2.85Å; P601-T605 PolarHBondContact O-OG1 3.28Å; H602-T605 WeakPolarHBondContact CA-OG1 3.34Å; H602-T605 PolarHBondContact O-N 2.81Å; H602-T605 PolarHBondContact O-OG1 3.07Å; V603-T605 VanDerWaalsContact C-N 3.35Å; V603-T605 PolarHBondContact O-N 2.78Å; T605-L609 PolarHBondContact O-N 3.26Å; T605-W651 PolarHBondContact O-NE1 3.4Å
606L83.3Confident79.1Confident8 Ų857.6 Ų57.64%0.04231%0.312CS..Hα-helixtrans-68.8-42.2176-66.4172.9000111.3L494 L497 V498 H602 V603 L609 S610L494-L606 HydrophobicContact CD2-CD2 3.72Å; L497-L606 HydrophobicContact CD2-CD2 4.27Å; V498-L606 HydrophobicContact CG2-CD1 4.39Å; H602-L606 WeakPolarHBondContact O-CG 3.06Å; H602-L606 PolarHBondContact O-N 3.03Å; V603-L606 PolarHBondContact O-N 3.24Å; L606-L609 PolarHBondContact O-N 3.27Å; L606-S610 PolarHBondContact O-N 3.21Å
607L85.3Confident80.2Confident54 Ų5449.2 Ų49.228%0.28327%0.273SS..Hα-helixtrans-64.5-44175.8-178.258.9000111.4L583 V587 V603 L604 L609 S610 L611L583-L607 HydrophobicContact CD1-CD1 3.48Å; L583-L607 VanDerWaalsContact CD1-CD1 3.48Å; V587-L607 HydrophobicContact CG2-CD1 4.04Å; V603-L607 WeakPolarHBondContact O-CB 3.4Å; V603-L607 PolarHBondContact O-N 2.92Å; L604-L607 PolarHBondContact O-N 3.04Å; L607-L609 PolarHBondContact O-N 2.95Å; L607-S610 PolarHBondContact O-N 2.65Å; L607-L611 HydrophobicContact CD1-CD1 4.46Å; L607-L611 HydrophobicContact CD1-CG 4.42Å; L607-L611 HydrophobicContact CG-CD1 4.16Å; L607-L611 VanDerWaalsContact O-CG 3.31Å; L607-L611 WeakPolarHBondContact O-CG 3.31Å; L607-L611 PolarHBondContact O-N 2.87Å
608G84.4Confident81.2Confident31 Ų3145 Ų4532%0.3225%0.245SC..Hα-helixtrans-58.2-45.8175.400000112.2L604 L611 V612L604-G608 PolarHBondContact O-N 3.41Å; G608-L611 PolarHBondContact O-N 3.41Å; G608-V612 WeakPolarHBondContact O-CG2 3.46Å; G608-V612 PolarHBondContact O-N 3.33Å
609L85Confident82.1Confident6 Ų644.9 Ų44.93%0.03125%0.245CC..Hα-helixtrans-61.7-46175.6-178.564.8000111.6L494 T605 L606 L607 L611 V612 L613 I648 W651L494-L609 HydrophobicContact CD1-CD2 3.99Å; L494-L609 HydrophobicContact CD1-CG 4.24Å; L494-L609 HydrophobicContact CD2-CD2 4.19Å; T605-L609 PolarHBondContact O-N 3.26Å; L606-L609 PolarHBondContact O-N 3.27Å; L607-L609 PolarHBondContact O-N 2.95Å; L609-L611 VanDerWaalsContact C-N 3.31Å; L609-L611 PolarHBondContact O-N 3.23Å; L609-V612 PolarHBondContact O-N 3.14Å; L609-L613 HydrophobicContact CG-CD1 4.3Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 3.05Å; L609-I648 HydrophobicContact CD1-CG1 4.41Å; L609-W651 HydrophobicContact CB-CG 4.41Å; L609-W651 HydrophobicContact CD1-CD2 4.45Å; L609-W651 HydrophobicContact CD1-CG 4.29Å; L609-W651 HydrophobicContact CD2-CD2 3.89Å; L609-W651 HydrophobicContact CD2-CE3 4.32Å; L609-W651 HydrophobicContact CD2-CG 4.36Å; L609-W651 HydrophobicContact CD2-CH2 4.18Å; L609-W651 HydrophobicContact CD2-CZ2 3.74Å; L609-W651 HydrophobicContact CD2-CZ3 4.46Å
610S84.4Confident82.4Confident8 Ų839.9 Ų39.96%0.05622%0.219CC..Hα-helixtrans-62.6-37.3179.3-173.20000112.6L583 L606 L607 L613 G614L583-S610 WeakPolarHBondContact CD1-OG 3.07Å; L606-S610 PolarHBondContact O-N 3.21Å; L607-S610 PolarHBondContact O-N 2.65Å; S610-L613 PolarHBondContact O-N 3.35Å; S610-G614 PolarHBondContact O-N 2.62Å
611L84.3Confident82.4Confident74 Ų7438.6 Ų38.639%0.38722%0.217SC..Hα-helixtrans-65-45173.1-72.4169.9000111.6L583 L607 G608 L609 L613 G614 L615L583-L611 HydrophobicContact CD2-CD2 4.1Å; L607-L611 HydrophobicContact CD1-CD1 4.46Å; L607-L611 HydrophobicContact CD1-CG 4.42Å; L607-L611 HydrophobicContact CG-CD1 4.16Å; L607-L611 VanDerWaalsContact O-CG 3.31Å; L607-L611 WeakPolarHBondContact O-CG 3.31Å; L607-L611 PolarHBondContact O-N 2.87Å; G608-L611 PolarHBondContact O-N 3.41Å; L609-L611 VanDerWaalsContact C-N 3.31Å; L609-L611 PolarHBondContact O-N 3.23Å; L611-L613 PolarHBondContact O-N 3.28Å; L611-G614 PolarHBondContact O-N 2.76Å; L611-L615 HydrophobicContact CB-CD1 4.05Å; L611-L615 HydrophobicContact CB-CG 4.48Å; L611-L615 VanDerWaalsContact O-CB 3.28Å; L611-L615 WeakPolarHBondContact O-CB 3.49Å; L611-L615 WeakPolarHBondContact O-CD1 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.49Å; L611-L615 PolarHBondContact O-N 2.95Å
612V83.9Confident82.3Confident27 Ų2740.2 Ų40.216%0.16422%0.216CC..Hα-helixtrans-59.7-36.1176.3170.90000111.5G608 L609 G614 P616 L647G608-V612 WeakPolarHBondContact O-CG2 3.46Å; G608-V612 PolarHBondContact O-N 3.33Å; L609-V612 PolarHBondContact O-N 3.14Å; V612-G614 VanDerWaalsContact C-N 3.31Å; V612-G614 PolarHBondContact O-N 3.06Å; V612-P616 VanDerWaalsContact O-CD 3.22Å; V612-P616 WeakPolarHBondContact O-CD 3.23Å; V612-L647 HydrophobicContact CG1-CB 4.12Å; V612-L647 HydrophobicContact CG1-CD1 3.88Å; V612-L647 HydrophobicContact CG2-CD1 4.08Å
613L83.7Confident82Confident1 Ų137.5 Ų37.51%0.00521%0.205CC..Hα-helixtrans-69.8-22.9176.6-65.8170.9000113.8L443 M487 E490 L494 L609 S610 L611 W617L443-L613 HydrophobicContact CD2-CD2 3.92Å; M487-L613 HydrophobicContact CB-CD2 4.2Å; M487-L613 HydrophobicContact CG-CD2 3.87Å; E490-L613 HydrophobicContact CB-CD1 4.18Å; E490-L613 HydrophobicContact CG-CD1 3.83Å; L494-L613 HydrophobicContact CD1-CD1 4.09Å; L609-L613 HydrophobicContact CG-CD1 4.3Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 3.05Å; S610-L613 PolarHBondContact O-N 3.35Å; L611-L613 PolarHBondContact O-N 3.28Å; L613-W617 PolarHBondContact O-NE1 2.8Å; L613-W617 VanDerWaalsContact O-NE1 3.08Å
614G81.8Confident81.3Confident14 Ų1442.4 Ų42.414%0.14423%0.225CC..Hα-helixtrans-108.1-31.8-175.200000115.6S610 L611 V612 W617 A618S610-G614 PolarHBondContact O-N 2.62Å; L611-G614 PolarHBondContact O-N 2.76Å; V612-G614 VanDerWaalsContact C-N 3.31Å; V612-G614 PolarHBondContact O-N 3.06Å; G614-W617 PolarHBondContact O-N 3.13Å; G614-A618 PolarHBondContact O-N 3.03Å; G614-A618 VanDerWaalsContact O-N 3.14Å
615L84.4Confident80.5Confident78 Ų7840.4 Ų40.441%0.40823%0.225SC..Hα-helixtrans-58.6-46.4-172.7-82.9165.9000114.3L611 W617 A618 L619L611-L615 HydrophobicContact CB-CD1 4.05Å; L611-L615 HydrophobicContact CB-CG 4.48Å; L611-L615 VanDerWaalsContact O-CB 3.28Å; L611-L615 WeakPolarHBondContact O-CB 3.49Å; L611-L615 WeakPolarHBondContact O-CD1 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.49Å; L611-L615 PolarHBondContact O-N 2.95Å; L615-W617 PolarHBondContact O-N 2.85Å; L615-A618 PolarHBondContact O-N 2.91Å; L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 2.87Å; L615-L619 VanDerWaalsContact O-N 3.07Å
616P83.4Confident79.6Confident0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-55.1-41.2178.1-26.234.5000112.4V612 L619 V620 F637 I640 T641V612-P616 VanDerWaalsContact O-CD 3.22Å; V612-P616 WeakPolarHBondContact O-CD 3.23Å; P616-L619 WeakPolarHBondContact O-CB 3.37Å; P616-L619 PolarHBondContact O-N 2.85Å; P616-V620 WeakPolarHBondContact O-CG2 3.24Å; P616-V620 PolarHBondContact O-N 2.98Å; P616-F637 HydrophobicContact CB-CD2 4Å; P616-F637 HydrophobicContact CB-CE2 4.06Å; P616-F637 VanDerWaalsContact O-CD2 3.29Å; P616-F637 WeakPolarHBondContact O-CD2 3.44Å; P616-I640 HydrophobicContact CG-CB 4.26Å; P616-I640 HydrophobicContact CG-CG2 3.62Å; P616-T641 WeakPolarHBondContact CB-OG1 3.31Å
617W80.6Confident78.5Confident11 Ų1143.8 Ų43.84%0.04226%0.261CS..Hα-helixtrans-74.3-36-175.6-45.1119000112L484 M487 F572 F576 L613 G614 L615 L619 V620 F621 F637L484-W617 HydrophobicContact CD2-CD2 4.28Å; L484-W617 HydrophobicContact CD2-CE3 4.39Å; L484-W617 HydrophobicContact CD2-CH2 3.53Å; L484-W617 HydrophobicContact CD2-CZ2 3.36Å; L484-W617 HydrophobicContact CD2-CZ3 4.05Å; M487-W617 HydrophobicContact CE-CZ2 3.69Å; M487-W617 HydrophobicContact SD-CZ2 3.59Å; M487-W617 VanDerWaalsContact SD-CZ2 3.59Å; M487-W617 PolarHBondContact SD-NE1 3.14Å; F572-W617 HydrophobicContact CB-CE3 4.49Å; F572-W617 HydrophobicContact CD1-CD2 4.42Å; F572-W617 AromaticContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CH2 4.1Å; F572-W617 AromaticContact CD1-CZ3 3.44Å; F572-W617 HydrophobicContact CD1-CZ3 3.44Å; F572-W617 VanDerWaalsContact CD1-CZ3 3.44Å; F572-W617 AromaticContact CE1-CE3 3.93Å; F572-W617 HydrophobicContact CE1-CE3 3.93Å; F572-W617 AromaticContact CE1-CH2 3.68Å; F572-W617 HydrophobicContact CE1-CH2 3.68Å; F572-W617 AromaticContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CG-CE3 4.09Å; F572-W617 HydrophobicContact CG-CZ3 4.19Å; F572-W617 HydrophobicContact CZ-CH2 4.48Å; F572-W617 AromaticContact CZ-CZ3 3.83Å; F572-W617 HydrophobicContact CZ-CZ3 3.83Å; F576-W617 HydrophobicContact CB-CB 3.96Å; F576-W617 HydrophobicContact CD2-CB 4.07Å; F576-W617 HydrophobicContact CG-CB 4.3Å; L613-W617 PolarHBondContact O-NE1 2.8Å; L613-W617 VanDerWaalsContact O-NE1 3.08Å; G614-W617 PolarHBondContact O-N 3.13Å; L615-W617 PolarHBondContact O-N 2.85Å; W617-L619 VanDerWaalsContact C-N 3.3Å; W617-L619 PolarHBondContact O-N 3.27Å; W617-V620 PolarHBondContact O-N 3.38Å; W617-F621 PolarHBondContact O-N 3.3Å; W617-F621 VanDerWaalsContact O-N 3.1Å; W617-F637 HydrophobicContact CZ3-CE2 4.29Å
618A82.2Confident77.6Confident16 Ų1647.5 Ų47.513%0.13229%0.286CS..Hα-helixtrans-58.5-44.9169.900000110.9F576 G614 L615 V620 F621 F622F576-A618 HydrophobicContact CD2-CB 4.44Å; F576-A618 HydrophobicContact CE2-CB 3.66Å; F576-A618 HydrophobicContact CZ-CB 4.01Å; G614-A618 PolarHBondContact O-N 3.03Å; G614-A618 VanDerWaalsContact O-N 3.14Å; L615-A618 PolarHBondContact O-N 2.91Å; A618-V620 PolarHBondContact O-N 3.04Å; A618-F621 PolarHBondContact O-N 3.2Å; A618-F622 HydrophobicContact CB-CE2 4.48Å; A618-F622 WeakPolarHBondContact O-CD2 3.39Å; A618-F622 PolarHBondContact O-N 2.9Å
619L84.6Confident76.9Confident31 Ų3152.2 Ų52.216%0.16230%0.298CS..Hα-helixtrans-61.7-43.5178.3-67.2174000111.7L615 P616 W617 F621 F622 S623 I633 L636 F637 I640L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 2.87Å; L615-L619 VanDerWaalsContact O-N 3.07Å; P616-L619 WeakPolarHBondContact O-CB 3.37Å; P616-L619 PolarHBondContact O-N 2.85Å; W617-L619 VanDerWaalsContact C-N 3.3Å; W617-L619 PolarHBondContact O-N 3.27Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.14Å; L619-F622 PolarHBondContact O-N 3.41Å; L619-S623 WeakPolarHBondContact O-CB 3.48Å; L619-S623 PolarHBondContact O-N 2.94Å; L619-I633 HydrophobicContact CB-CG2 3.95Å; L619-I633 HydrophobicContact CD2-CG2 4.28Å; L619-I633 WeakPolarHBondContact O-CG2 3.34Å; L619-L636 HydrophobicContact CD1-CB 3.82Å; L619-F637 HydrophobicContact CB-CB 4.13Å; L619-F637 HydrophobicContact CD1-CB 4.44Å; L619-I640 HydrophobicContact CD1-CD1 3.7Å
620V77.1Confident76.3Confident20 Ų2056.5 Ų56.512%0.12132%0.318CS..Hα-helixtrans-58-46.3175174.80000111.3L569 P616 W617 A618 F622 S623 F624 F637L569-V620 HydrophobicContact CD1-CG1 4.22Å; P616-V620 WeakPolarHBondContact O-CG2 3.24Å; P616-V620 PolarHBondContact O-N 2.98Å; W617-V620 PolarHBondContact O-N 3.38Å; A618-V620 PolarHBondContact O-N 3.04Å; V620-F622 PolarHBondContact O-N 2.73Å; V620-S623 VanDerWaalsContact O-CB 3.3Å; V620-S623 WeakPolarHBondContact O-CB 3.46Å; V620-S623 PolarHBondContact O-N 2.93Å; V620-F624 HydrophobicContact CG1-CD2 4.28Å; V620-F624 HydrophobicContact CG1-CE2 3.82Å; V620-F624 VanDerWaalsContact O-CD2 3.22Å; V620-F624 WeakPolarHBondContact O-CD2 3.47Å; V620-F624 PolarHBondContact O-N 2.86Å; V620-F637 HydrophobicContact CG2-CD1 4.18Å; V620-F637 HydrophobicContact CG2-CD2 3.41Å; V620-F637 VanDerWaalsContact CG2-CD2 3.41Å; V620-F637 HydrophobicContact CG2-CE1 4.03Å; V620-F637 HydrophobicContact CG2-CE2 3.22Å; V620-F637 HydrophobicContact CG2-CG 3.89Å; V620-F637 HydrophobicContact CG2-CZ 3.56Å
621F77.9Confident75.9Confident118 Ų11859.4 Ų59.452%0.51833%0.333SS..Hα-helixtrans-61.4-45179-173.2-93.8000112W617 A618 L619 S623 F624 A625W617-F621 PolarHBondContact O-N 3.3Å; W617-F621 VanDerWaalsContact O-N 3.1Å; A618-F621 PolarHBondContact O-N 3.2Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.14Å; F621-S623 VanDerWaalsContact C-N 3.3Å; F621-S623 PolarHBondContact O-N 2.87Å; F621-F624 PolarHBondContact O-N 3.43Å; F621-A625 PolarHBondContact O-N 3.25Å
622F76.9Confident75.8Confident114 Ų11460.1 Ų60.150%0.534%0.34SS..Hα-helixtrans-67.6-28.7176.6-75.1-64.2000113.4A618 L619 V620 F624 A625 S626 I633A618-F622 HydrophobicContact CB-CE2 4.48Å; A618-F622 WeakPolarHBondContact O-CD2 3.39Å; A618-F622 PolarHBondContact O-N 2.9Å; L619-F622 PolarHBondContact O-N 3.41Å; V620-F622 PolarHBondContact O-N 2.73Å; F622-F624 PolarHBondContact O-N 2.81Å; F622-A625 PolarHBondContact O-N 2.83Å; F622-S626 PolarHBondContact O-N 2.86Å; F622-S626 PolarHBondContact O-OG 2.85Å; F622-I633 HydrophobicContact CB-CD1 4.21Å
623S71.7Confident75.7Confident10 Ų1059.7 Ų59.77%0.0734%0.336CS..Hα-helixtrans-61.4-33.2175.3-172.30000112.3L619 V620 F621 Q630L619-S623 WeakPolarHBondContact O-CB 3.48Å; L619-S623 PolarHBondContact O-N 2.94Å; V620-S623 VanDerWaalsContact O-CB 3.3Å; V620-S623 WeakPolarHBondContact O-CB 3.46Å; V620-S623 PolarHBondContact O-N 2.93Å; F621-S623 VanDerWaalsContact C-N 3.3Å; F621-S623 PolarHBondContact O-N 2.87Å; S623-Q630 WeakPolarHBondContact OG-CG 3.24Å
624F66.8Low75.5Confident125 Ų12562.4 Ų62.455%0.54835%0.35SS..Hα-helixtrans-79.2-29.8176.2-74.1-72.5000112.8Y565 L569 V620 F621 F622Y565-F624 HydrophobicContact CE1-CE1 4.18Å; Y565-F624 HydrophobicContact CE1-CZ 4.13Å; L569-F624 HydrophobicContact CD1-CD2 4.43Å; L569-F624 HydrophobicContact CD1-CE2 3.9Å; L569-F624 HydrophobicContact CD2-CE2 4.09Å; L569-F624 HydrophobicContact CD2-CZ 4.31Å; V620-F624 HydrophobicContact CG1-CD2 4.28Å; V620-F624 HydrophobicContact CG1-CE2 3.82Å; V620-F624 VanDerWaalsContact O-CD2 3.22Å; V620-F624 WeakPolarHBondContact O-CD2 3.47Å; V620-F624 PolarHBondContact O-N 2.86Å; F621-F624 PolarHBondContact O-N 3.43Å; F622-F624 PolarHBondContact O-N 2.81Å
625A67.1Low75.7Confident76 Ų7664.5 Ų64.563%0.62835%0.354SS*.Hα-helixtrans-80.5-28.5-179.100000113.4F621 F622F621-A625 PolarHBondContact O-N 3.25Å; F622-A625 PolarHBondContact O-N 2.83Å
626S63.5Low75.8Confident39 Ų3964.7 Ų64.727%0.27336%0.356SS..  trans-114.992.7-170.7-570000112.3F622 T628 F629 Q630F622-S626 PolarHBondContact O-N 2.86Å; F622-S626 PolarHBondContact O-OG 2.85Å; S626-T628 VanDerWaalsContact C-N 3.29Å; S626-T628 PolarHBondContact O-N 2.75Å; S626-F629 PolarHBondContact O-N 2.83Å; S626-Q630 PolarHBondContact O-N 3.42Å; S626-Q630 VanDerWaalsContact O-N 3.15Å
627G59.1Low75.9Confident67 Ų6767.1 Ų67.169%0.69137%0.366SS*.THydrogen-bonded Turntrans-59.8-34.5177.500000114
628T66.3Low76.1Confident132 Ų13267 Ų6781%0.8137%0.367SS*.THydrogen-bonded Turntrans-74.3-31.4-176.5-40.20000113.7S626S626-T628 VanDerWaalsContact C-N 3.29Å; S626-T628 PolarHBondContact O-N 2.75Å
629F70.1Confident76.3Confident130 Ų13069.6 Ų69.657%0.5738%0.378SS*.THydrogen-bonded Turntrans-109.85.5-174.9-62.3-72.1000113.7S626 L631 V632 I633S626-F629 PolarHBondContact O-N 2.83Å; F629-L631 PolarHBondContact O-N 3.39Å; F629-L631 VanDerWaalsContact O-N 3.12Å; F629-V632 PolarHBondContact O-N 2.77Å; F629-V632 VanDerWaalsContact O-N 3.09Å; F629-I633 HydrophobicContact CB-CD1 4.08Å; F629-I633 HydrophobicContact CB-CG1 4.4Å; F629-I633 WeakPolarHBondContact O-CG1 3.12Å; F629-I633 PolarHBondContact O-N 2.04Å
630Q72.9Confident76.3Confident95 Ų9569.9 Ų69.944%0.44438%0.379SS..Hα-helixtrans-48.2-44.6-177.4-174.2-179.9-12.800112S623 S626 I633 L634S623-Q630 WeakPolarHBondContact OG-CG 3.24Å; S626-Q630 PolarHBondContact O-N 3.42Å; S626-Q630 VanDerWaalsContact O-N 3.15Å; Q630-I633 PolarHBondContact O-N 3.44Å; Q630-L634 HydrophobicContact CG-CD1 4.01Å; Q630-L634 HydrophobicContact CG-CG 4.45Å; Q630-L634 WeakPolarHBondContact O-CB 3.34Å; Q630-L634 VanDerWaalsContact O-CG 3.22Å; Q630-L634 WeakPolarHBondContact O-CG 3.24Å; Q630-L634 PolarHBondContact O-N 2.91Å
631L75.1Confident76.7Confident70 Ų7070.5 Ų70.537%0.36638%0.383SS..Hα-helixtrans-62.1-49.9-179.1-171.570.1000112.6H399 F629 I633 L634 Y635H399-L631 HydrophobicContact CB-CD1 3.77Å; H399-L631 WeakPolarHBondContact NE2-CD2 3.08Å; F629-L631 PolarHBondContact O-N 3.39Å; F629-L631 VanDerWaalsContact O-N 3.12Å; L631-I633 VanDerWaalsContact C-N 3.29Å; L631-I633 PolarHBondContact O-N 2.89Å; L631-L634 PolarHBondContact O-N 2.84Å; L631-Y635 HydrophobicContact CD1-CD2 4.4Å; L631-Y635 HydrophobicContact CD1-CE2 3.96Å; L631-Y635 HydrophobicContact CG-CD2 4.23Å; L631-Y635 HydrophobicContact CG-CE2 4.07Å; L631-Y635 WeakPolarHBondContact O-CD2 3.4Å; L631-Y635 PolarHBondContact O-N 2.59Å; L631-Y635 VanDerWaalsContact O-N 3.11Å
632V81.7Confident77.1Confident88 Ų8865.1 Ų65.153%0.53336%0.36SS..Hα-helixtrans-61.9-42.1-179.5-179.40000110.3F629 L634 Y635 L636F629-V632 PolarHBondContact O-N 2.77Å; F629-V632 VanDerWaalsContact O-N 3.09Å; V632-L634 VanDerWaalsContact C-N 3.34Å; V632-L634 PolarHBondContact O-N 3.02Å; V632-Y635 PolarHBondContact O-N 2.86Å; V632-L636 HydrophobicContact CG1-CD1 4.34Å; V632-L636 WeakPolarHBondContact O-CG 3.49Å; V632-L636 PolarHBondContact O-N 3.41Å; V632-L636 VanDerWaalsContact O-N 3.08Å
633I81.8Confident77.6Confident19 Ų1962.2 Ų62.210%0.09735%0.347CS..Hα-helixtrans-63.6-40.3178.7-63.8170.3000110.9L619 F622 F629 Q630 L631 L636 F637L619-I633 HydrophobicContact CB-CG2 3.95Å; L619-I633 HydrophobicContact CD2-CG2 4.28Å; L619-I633 WeakPolarHBondContact O-CG2 3.34Å; F622-I633 HydrophobicContact CB-CD1 4.21Å; F629-I633 HydrophobicContact CB-CD1 4.08Å; F629-I633 HydrophobicContact CB-CG1 4.4Å; F629-I633 WeakPolarHBondContact O-CG1 3.12Å; F629-I633 PolarHBondContact O-N 2.04Å; Q630-I633 PolarHBondContact O-N 3.44Å; L631-I633 VanDerWaalsContact C-N 3.29Å; L631-I633 PolarHBondContact O-N 2.89Å; I633-L636 PolarHBondContact O-N 2.83Å; I633-F637 VanDerWaalsContact O-CB 3.29Å; I633-F637 WeakPolarHBondContact O-CB 3.46Å; I633-F637 PolarHBondContact O-N 2.83Å
634L80.3Confident78.2Confident57 Ų5762 Ų6230%0.29835%0.345SS..Hα-helixtrans-64.2-39.5176.4-73.9170.5000112.8L403 Q630 L631 V632 S638L403-L634 HydrophobicContact CD1-CB 4.45Å; Q630-L634 HydrophobicContact CG-CD1 4.01Å; Q630-L634 HydrophobicContact CG-CG 4.45Å; Q630-L634 WeakPolarHBondContact O-CB 3.34Å; Q630-L634 VanDerWaalsContact O-CG 3.22Å; Q630-L634 WeakPolarHBondContact O-CG 3.24Å; Q630-L634 PolarHBondContact O-N 2.91Å; L631-L634 PolarHBondContact O-N 2.84Å; V632-L634 VanDerWaalsContact C-N 3.34Å; V632-L634 PolarHBondContact O-N 3.02Å; L634-S638 WeakPolarHBondContact O-CB 3.44Å; L634-S638 PolarHBondContact O-N 3.05Å
635Y85.7Confident79Confident58 Ų5856 Ų5623%0.22732%0.319CS..Hα-helixtrans-63-47.7173.4-87.3-86.9000111.7H399 L403 L406 L631 V632 F637 S638 I639H399-Y635 HydrophobicContact CB-CE2 4.36Å; H399-Y635 AromaticContact ND1-CE2 3.88Å; H399-Y635 AromaticContact ND1-CZ 3.9Å; H399-Y635 PolarHBondContact ND1-OH 3.45Å; L403-Y635 HydrophobicContact CD2-CD1 3.73Å; L403-Y635 HydrophobicContact CD2-CD2 4.12Å; L403-Y635 HydrophobicContact CD2-CE1 3.94Å; L403-Y635 HydrophobicContact CD2-CE2 4.28Å; L403-Y635 HydrophobicContact CD2-CG 3.82Å; L403-Y635 HydrophobicContact CG-CD1 4.48Å; L403-Y635 HydrophobicContact CG-CE1 4.21Å; L403-Y635 HydrophobicContact CG-CE2 4.31Å; L406-Y635 HydrophobicContact CD2-CD1 4.28Å; L631-Y635 HydrophobicContact CD1-CD2 4.4Å; L631-Y635 HydrophobicContact CD1-CE2 3.96Å; L631-Y635 HydrophobicContact CG-CD2 4.23Å; L631-Y635 HydrophobicContact CG-CE2 4.07Å; L631-Y635 WeakPolarHBondContact O-CD2 3.4Å; L631-Y635 PolarHBondContact O-N 2.59Å; L631-Y635 VanDerWaalsContact O-N 3.11Å; V632-Y635 PolarHBondContact O-N 2.86Å; Y635-F637 VanDerWaalsContact C-N 3.35Å; Y635-F637 PolarHBondContact O-N 2.85Å; Y635-S638 PolarHBondContact O-N 3.19Å; Y635-I639 VanDerWaalsContact O-CG1 3.26Å; Y635-I639 WeakPolarHBondContact O-CG1 3.26Å; Y635-I639 PolarHBondContact O-N 2.87Å
636L86.6Confident80Confident83 Ų8355.6 Ų55.644%0.43530%0.303SS..Hα-helixtrans-62.1-43.9178.4-69.1174.7000111.6L619 V632 I633 I639 I640L619-L636 HydrophobicContact CD1-CB 3.82Å; V632-L636 HydrophobicContact CG1-CD1 4.34Å; V632-L636 WeakPolarHBondContact O-CG 3.49Å; V632-L636 PolarHBondContact O-N 3.41Å; V632-L636 VanDerWaalsContact O-N 3.08Å; I633-L636 PolarHBondContact O-N 2.83Å; L636-I639 PolarHBondContact O-N 2.79Å; L636-I640 VanDerWaalsContact O-CG1 3.29Å; L636-I640 WeakPolarHBondContact O-CG1 3.11Å; L636-I640 PolarHBondContact O-N 3.03Å
637F85.7Confident81.1Confident50 Ų5056.7 Ų56.722%0.21931%0.306CS..Hα-helixtrans-58.3-50.9175.5167.2-111.6000111.4P616 W617 L619 V620 I633 Y635 I639 I640 T641P616-F637 HydrophobicContact CB-CD2 4Å; P616-F637 HydrophobicContact CB-CE2 4.06Å; P616-F637 VanDerWaalsContact O-CD2 3.29Å; P616-F637 WeakPolarHBondContact O-CD2 3.44Å; W617-F637 HydrophobicContact CZ3-CE2 4.29Å; L619-F637 HydrophobicContact CB-CB 4.13Å; L619-F637 HydrophobicContact CD1-CB 4.44Å; V620-F637 HydrophobicContact CG2-CD1 4.18Å; V620-F637 HydrophobicContact CG2-CD2 3.41Å; V620-F637 VanDerWaalsContact CG2-CD2 3.41Å; V620-F637 HydrophobicContact CG2-CE1 4.03Å; V620-F637 HydrophobicContact CG2-CE2 3.22Å; V620-F637 HydrophobicContact CG2-CG 3.89Å; V620-F637 HydrophobicContact CG2-CZ 3.56Å; I633-F637 VanDerWaalsContact O-CB 3.29Å; I633-F637 WeakPolarHBondContact O-CB 3.46Å; I633-F637 PolarHBondContact O-N 2.83Å; Y635-F637 VanDerWaalsContact C-N 3.35Å; Y635-F637 PolarHBondContact O-N 2.85Å; F637-I639 PolarHBondContact O-N 2.81Å; F637-I640 PolarHBondContact O-N 2.9Å; F637-T641 WeakPolarHBondContact CE2-OG1 3.34Å; F637-T641 WeakPolarHBondContact O-CB 3.09Å; F637-T641 PolarHBondContact O-N 2.88Å; F637-T641 PolarHBondContact O-OG1 2.81Å
638S84.4Confident82.2Confident9 Ų953.5 Ų53.56%0.06327%0.273CS..Hα-helixtrans-58-45.5178.5174.20000111.8S407 L634 Y635 S642S407-S638 PolarHBondContact OG-OG 2.83Å; L634-S638 WeakPolarHBondContact O-CB 3.44Å; L634-S638 PolarHBondContact O-N 3.05Å; Y635-S638 PolarHBondContact O-N 3.19Å; S638-S642 WeakPolarHBondContact O-CB 3.4Å; S638-S642 PolarHBondContact O-N 3.11Å; S638-S642 PolarHBondContact O-OG 3.12Å
639I86.9Confident83.1Confident70 Ų7048.9 Ų48.936%0.35924%0.241SC..Hα-helixtrans-59.8-52.8177.4-66.7164.6000110.9L406 Y635 L636 F637 T641 F643L406-I639 HydrophobicContact CD1-CG1 4.4Å; L406-I639 HydrophobicContact CD2-CD1 4.25Å; L406-I639 HydrophobicContact CD2-CG1 3.55Å; L406-I639 HydrophobicContact CG-CG1 4.28Å; Y635-I639 VanDerWaalsContact O-CG1 3.26Å; Y635-I639 WeakPolarHBondContact O-CG1 3.26Å; Y635-I639 PolarHBondContact O-N 2.87Å; L636-I639 PolarHBondContact O-N 2.79Å; F637-I639 PolarHBondContact O-N 2.81Å; I639-T641 PolarHBondContact O-N 2.91Å; I639-F643 HydrophobicContact CG2-CD2 4.34Å; I639-F643 WeakPolarHBondContact O-CB 3.47Å; I639-F643 VanDerWaalsContact O-CD2 3.3Å; I639-F643 WeakPolarHBondContact O-CD2 3.48Å; I639-F643 PolarHBondContact O-N 3.45Å; I639-F643 VanDerWaalsContact O-N 3.09Å
640I85.1Confident83.9Confident37 Ų3746.7 Ų46.719%0.1924%0.235CC..Hα-helixtrans-68-40.8-173.2-58.2170.8000110.7P616 L619 L636 F637 Q644P616-I640 HydrophobicContact CG-CB 4.26Å; P616-I640 HydrophobicContact CG-CG2 3.62Å; L619-I640 HydrophobicContact CD1-CD1 3.7Å; L636-I640 VanDerWaalsContact O-CG1 3.29Å; L636-I640 WeakPolarHBondContact O-CG1 3.11Å; L636-I640 PolarHBondContact O-N 3.03Å; F637-I640 PolarHBondContact O-N 2.9Å; I640-Q644 PolarHBondContact O-N 2.81Å; I640-Q644 VanDerWaalsContact O-N 3.16Å
641T84.8Confident84.5Confident33 Ų3343.2 Ų43.220%0.20222%0.218CC..Hα-helixtrans-66.6-46.4177.8-67.20000111.9P616 F637 I639 F643 Q644P616-T641 WeakPolarHBondContact CB-OG1 3.31Å; F637-T641 WeakPolarHBondContact CE2-OG1 3.34Å; F637-T641 WeakPolarHBondContact O-CB 3.09Å; F637-T641 PolarHBondContact O-N 2.88Å; F637-T641 PolarHBondContact O-OG1 2.81Å; I639-T641 PolarHBondContact O-N 2.91Å; T641-F643 VanDerWaalsContact C-N 3.29Å; T641-F643 PolarHBondContact O-N 2.84Å; T641-Q644 WeakPolarHBondContact O-CB 3.49Å; T641-Q644 PolarHBondContact O-N 2.89Å; T641-Q644 VanDerWaalsContact O-N 3.16Å
642S86.3Confident84.8Confident6 Ų640.3 Ų40.34%0.04220%0.202CC..Hα-helixtrans-70.6-25.3-177.1-58.60000113.2S407 G410 S414 S638S407-S642 VanDerWaalsContact CA-OG 3.29Å; S407-S642 WeakPolarHBondContact CA-OG 3.41Å; G410-S642 CarbonylContact C-O 3.56Å; G410-S642 VanDerWaalsContact O-O 3.04Å; S414-S642 WeakPolarHBondContact CB-O 3.46Å; S638-S642 WeakPolarHBondContact O-CB 3.4Å; S638-S642 PolarHBondContact O-N 3.11Å; S638-S642 PolarHBondContact O-OG 3.12Å
643F86.8Confident85Confident52 Ų5240.8 Ų40.823%0.22820%0.195CC..THydrogen-bonded Turntrans-95.78.1173.8-75.7-90.9000113.5I413 I639 T641 G645 F646 L647I413-F643 HydrophobicContact CB-CE1 4.4Å; I413-F643 HydrophobicContact CD1-CE1 3.76Å; I413-F643 HydrophobicContact CD1-CZ 4.02Å; I413-F643 HydrophobicContact CG2-CD1 4.49Å; I413-F643 HydrophobicContact CG2-CE1 4.22Å; I639-F643 HydrophobicContact CG2-CD2 4.34Å; I639-F643 WeakPolarHBondContact O-CB 3.47Å; I639-F643 VanDerWaalsContact O-CD2 3.3Å; I639-F643 WeakPolarHBondContact O-CD2 3.48Å; I639-F643 PolarHBondContact O-N 3.45Å; I639-F643 VanDerWaalsContact O-N 3.09Å; T641-F643 VanDerWaalsContact C-N 3.29Å; T641-F643 PolarHBondContact O-N 2.84Å; F643-G645 PolarHBondContact O-N 3.4Å; F643-F646 HydrophobicContact CD1-CB 4.39Å; F643-F646 HydrophobicContact CD1-CD1 4.29Å; F643-F646 WeakPolarHBondContact O-CB 3.45Å; F643-F646 PolarHBondContact O-N 2.94Å; F643-L647 WeakPolarHBondContact O-CG 3.16Å; F643-L647 PolarHBondContact O-N 2.84Å
644Q85.1Confident85Confident6 Ų642 Ų423%0.02820%0.204CC..Hα-helixtrans-59.3-45.5-172.8-175.8171-2.300112.9M487 I640 T641 F646 L647 I648M487-Q644 VanDerWaalsContact CE-CD 3.45Å; M487-Q644 PolarHBondContact SD-NE2 3.22Å; I640-Q644 PolarHBondContact O-N 2.81Å; I640-Q644 VanDerWaalsContact O-N 3.16Å; T641-Q644 WeakPolarHBondContact O-CB 3.49Å; T641-Q644 PolarHBondContact O-N 2.89Å; T641-Q644 VanDerWaalsContact O-N 3.16Å; Q644-F646 VanDerWaalsContact C-N 3.28Å; Q644-F646 PolarHBondContact O-N 2.85Å; Q644-L647 PolarHBondContact O-N 2.8Å; Q644-I648 HydrophobicContact CG-CD1 3.95Å; Q644-I648 WeakPolarHBondContact O-CB 3.5Å; Q644-I648 VanDerWaalsContact O-CG1 3.22Å; Q644-I648 WeakPolarHBondContact O-CG1 3.3Å; Q644-I648 PolarHBondContact O-N 3.37Å
645G84.5Confident84.7Confident0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-64.5-32.217700000113.2S414 F643 I648 F649S414-G645 VanDerWaalsContact OG-CA 3.26Å; S414-G645 WeakPolarHBondContact OG-CA 3.33Å; S414-G645 PolarHBondContact OG-N 3.29Å; F643-G645 PolarHBondContact O-N 3.4Å; G645-I648 PolarHBondContact O-N 3.44Å; G645-F649 WeakPolarHBondContact O-CB 3.46Å; G645-F649 PolarHBondContact O-N 2.93Å
646F87.7Confident84.3Confident67 Ų6742.5 Ų42.529%0.29421%0.205SC..Hα-helixtrans-69-42.5174.5178.8-102.8000112.4I413 A417 F643 Q644 I648 F649 L650I413-F646 HydrophobicContact CG2-CB 4.39Å; I413-F646 HydrophobicContact CG2-CD2 4.03Å; I413-F646 HydrophobicContact CG2-CG 4.27Å; A417-F646 HydrophobicContact CB-CD2 4.19Å; F643-F646 HydrophobicContact CD1-CB 4.39Å; F643-F646 HydrophobicContact CD1-CD1 4.29Å; F643-F646 WeakPolarHBondContact O-CB 3.45Å; F643-F646 PolarHBondContact O-N 2.94Å; Q644-F646 VanDerWaalsContact C-N 3.28Å; Q644-F646 PolarHBondContact O-N 2.85Å; F646-I648 VanDerWaalsContact C-N 3.3Å; F646-I648 PolarHBondContact O-N 3.14Å; F646-F649 HydrophobicContact CD2-CD1 4.12Å; F646-F649 HydrophobicContact CE2-CD1 4.16Å; F646-F649 HydrophobicContact CE2-CE1 4.44Å; F646-F649 WeakPolarHBondContact O-CB 3.5Å; F646-F649 PolarHBondContact O-N 2.91Å; F646-L650 HydrophobicContact CD1-CD1 4.18Å; F646-L650 HydrophobicContact CE1-CD1 3.6Å; F646-L650 HydrophobicContact CE1-CG 4.09Å; F646-L650 HydrophobicContact CZ-CD1 4Å; F646-L650 HydrophobicContact CZ-CD2 4.13Å; F646-L650 HydrophobicContact CZ-CG 4.12Å; F646-L650 WeakPolarHBondContact O-CG 3.13Å; F646-L650 PolarHBondContact O-N 3.39Å
647L86.4Confident83.9Confident62 Ų6244 Ų4433%0.32521%0.208SC..Hα-helixtrans-62.5-39.6175.1-65.6176.5000111.7V612 F643 Q644 L650 W651V612-L647 HydrophobicContact CG1-CB 4.12Å; V612-L647 HydrophobicContact CG1-CD1 3.88Å; V612-L647 HydrophobicContact CG2-CD1 4.08Å; F643-L647 WeakPolarHBondContact O-CG 3.16Å; F643-L647 PolarHBondContact O-N 2.84Å; Q644-L647 PolarHBondContact O-N 2.8Å; L647-L650 PolarHBondContact O-N 2.73Å; L647-W651 PolarHBondContact O-N 2.84Å; L647-W651 VanDerWaalsContact O-N 3.09Å
648I82.2Confident83.3Confident0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-63.5-42.9174.5-71.9174.1000110.9H440 L443 L444 V447 L609 Q644 G645 F646 W651 Y652H440-I648 WeakPolarHBondContact CE1-CG2 3.18Å; H440-I648 WeakPolarHBondContact NE2-CG2 3.4Å; L443-I648 HydrophobicContact CD2-CD1 3.98Å; L443-I648 HydrophobicContact CG-CD1 4.33Å; L444-I648 HydrophobicContact CD1-CG2 3.96Å; V447-I648 HydrophobicContact CG2-CD1 4.47Å; L609-I648 HydrophobicContact CD1-CG1 4.41Å; Q644-I648 HydrophobicContact CG-CD1 3.95Å; Q644-I648 WeakPolarHBondContact O-CB 3.5Å; Q644-I648 VanDerWaalsContact O-CG1 3.22Å; Q644-I648 WeakPolarHBondContact O-CG1 3.3Å; Q644-I648 PolarHBondContact O-N 3.37Å; G645-I648 PolarHBondContact O-N 3.44Å; F646-I648 VanDerWaalsContact C-N 3.3Å; F646-I648 PolarHBondContact O-N 3.14Å; I648-W651 WeakPolarHBondContact O-CB 3.4Å; I648-W651 PolarHBondContact O-N 2.99Å; I648-Y652 PolarHBondContact O-N 2.84Å
649F85.5Confident82.5Confident34 Ų3448.6 Ų48.615%0.14924%0.244CC..Hα-helixtrans-58.6-47.2173.7160.5-112.3000112.6A417 F420 T421 G645 F646 W651 Y652 W653A417-F649 HydrophobicContact CB-CB 3.93Å; A417-F649 HydrophobicContact CB-CD1 4.16Å; A417-F649 HydrophobicContact CB-CG 4.08Å; F420-F649 HydrophobicContact CD1-CD2 4.41Å; F420-F649 AromaticContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CZ 4.06Å; F420-F649 AromaticContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CZ 4.18Å; T421-F649 WeakPolarHBondContact OG1-CD2 3.28Å; G645-F649 WeakPolarHBondContact O-CB 3.46Å; G645-F649 PolarHBondContact O-N 2.93Å; F646-F649 HydrophobicContact CD2-CD1 4.12Å; F646-F649 HydrophobicContact CE2-CD1 4.16Å; F646-F649 HydrophobicContact CE2-CE1 4.44Å; F646-F649 WeakPolarHBondContact O-CB 3.5Å; F646-F649 PolarHBondContact O-N 2.91Å; F649-W651 VanDerWaalsContact C-N 3.26Å; F649-W651 PolarHBondContact O-N 3.46Å; F649-Y652 PolarHBondContact O-N 2.91Å; F649-W653 PolarHBondContact O-N 2.89Å
650L86.2Confident81.3Confident84 Ų8451.9 Ų51.944%0.4426%0.258SS..Hα-helixtrans-58.9-40.4176.8-69.7-179.8000111.5F646 L647 W653 S654F646-L650 HydrophobicContact CD1-CD1 4.18Å; F646-L650 HydrophobicContact CE1-CD1 3.6Å; F646-L650 HydrophobicContact CE1-CG 4.09Å; F646-L650 HydrophobicContact CZ-CD1 4Å; F646-L650 HydrophobicContact CZ-CD2 4.13Å; F646-L650 HydrophobicContact CZ-CG 4.12Å; F646-L650 WeakPolarHBondContact O-CG 3.13Å; F646-L650 PolarHBondContact O-N 3.39Å; L647-L650 PolarHBondContact O-N 2.73Å; L650-W653 PolarHBondContact O-N 2.82Å; L650-S654 VanDerWaalsContact O-CB 3.29Å; L650-S654 WeakPolarHBondContact O-CB 3.26Å; L650-S654 PolarHBondContact O-N 2.91Å
651W84.6Confident79.7Confident23 Ų2353.2 Ų53.29%0.08728%0.281CS..Hα-helixtrans-62-47.1174.9176.589.5000112.1T436 H440 T605 L609 L647 I648 F649 W653 S654 M655T436-W651 HydrophobicContact CG2-CH2 4.37Å; H440-W651 AromaticContact CD2-CZ3 3.9Å; H440-W651 AromaticContact CE1-CE3 3.17Å; H440-W651 AromaticContact CE1-CZ3 3.23Å; H440-W651 WeakPolarHBondContact CE1-CZ3 3.42Å; H440-W651 AromaticContact CG-CZ3 3.81Å; H440-W651 AromaticContact ND1-CE3 3.87Å; H440-W651 AromaticContact ND1-CZ3 3.43Å; H440-W651 WeakPolarHBondContact ND1-CZ3 3.09Å; H440-W651 AromaticContact NE2-CE3 3.42Å; H440-W651 AromaticContact NE2-CZ3 3.53Å; T605-W651 PolarHBondContact O-NE1 3.4Å; L609-W651 HydrophobicContact CB-CG 4.41Å; L609-W651 HydrophobicContact CD1-CD2 4.45Å; L609-W651 HydrophobicContact CD1-CG 4.29Å; L609-W651 HydrophobicContact CD2-CD2 3.89Å; L609-W651 HydrophobicContact CD2-CE3 4.32Å; L609-W651 HydrophobicContact CD2-CG 4.36Å; L609-W651 HydrophobicContact CD2-CH2 4.18Å; L609-W651 HydrophobicContact CD2-CZ2 3.74Å; L609-W651 HydrophobicContact CD2-CZ3 4.46Å; L647-W651 PolarHBondContact O-N 2.84Å; L647-W651 VanDerWaalsContact O-N 3.09Å; I648-W651 WeakPolarHBondContact O-CB 3.4Å; I648-W651 PolarHBondContact O-N 2.99Å; F649-W651 VanDerWaalsContact C-N 3.26Å; F649-W651 PolarHBondContact O-N 3.46Å; W651-W653 VanDerWaalsContact C-N 3.31Å; W651-W653 PolarHBondContact O-N 2.82Å; W651-S654 PolarHBondContact O-N 2.7Å; W651-M655 HydrophobicContact CD2-CG 4.01Å; W651-M655 HydrophobicContact CE3-CG 4.47Å; W651-M655 HydrophobicContact CH2-CE 4.34Å; W651-M655 HydrophobicContact CH2-CG 4.29Å; W651-M655 HydrophobicContact CZ2-CE 3.91Å; W651-M655 HydrophobicContact CZ2-CG 3.78Å; W651-M655 HydrophobicContact CZ2-SD 4.21Å; W651-M655 WeakPolarHBondContact O-CB 3.43Å; W651-M655 WeakPolarHBondContact O-CG 3.33Å; W651-M655 PolarHBondContact O-N 2.96Å
652Y83.2Confident77.7Confident8 Ų854.1 Ų54.13%0.03130%0.296CS..Hα-helixtrans-57.8-45.4179176.9-95.5000111.7T421 I437 M441 I648 F649 M655 R656T421-Y652 HydrophobicContact CG2-CD1 3.71Å; T421-Y652 HydrophobicContact CG2-CD2 4.37Å; T421-Y652 HydrophobicContact CG2-CE1 4.16Å; T421-Y652 HydrophobicContact CG2-CG 3.83Å; I437-Y652 HydrophobicContact CG2-CE2 4.37Å; M441-Y652 HydrophobicContact CE-CD2 3.94Å; M441-Y652 HydrophobicContact CE-CE2 3.81Å; I648-Y652 PolarHBondContact O-N 2.84Å; F649-Y652 PolarHBondContact O-N 2.91Å; Y652-M655 PolarHBondContact O-N 3.31Å; Y652-R656 HydrophobicContact CD1-CG 4.35Å; Y652-R656 HydrophobicContact CE1-CG 3.8Å; Y652-R656 WeakPolarHBondContact O-CB 3.43Å; Y652-R656 PolarHBondContact O-N 3.44Å; Y652-R656 PolarHBondContact OH-NE 3.18Å; Y652-R656 PolarHBondContact OH-NH2 2.95Å
653W84.1Confident75.3Confident99 Ų9959.9 Ų59.938%0.37533%0.333SS..Hα-helixtrans-71.4-38.2-178.2-156.8-111.2000112.1F420 F649 L650 W651 M655 R656 F657F420-W653 HydrophobicContact CE1-CZ3 4.5Å; F649-W653 PolarHBondContact O-N 2.89Å; L650-W653 PolarHBondContact O-N 2.82Å; W651-W653 VanDerWaalsContact C-N 3.31Å; W651-W653 PolarHBondContact O-N 2.82Å; W653-M655 PolarHBondContact O-N 2.83Å; W653-R656 WeakPolarHBondContact O-CB 3.36Å; W653-R656 PolarHBondContact O-N 2.77Å; W653-F657 AromaticContact CD1-CD2 3.53Å; W653-F657 AromaticContact CD1-CE2 2.99Å; W653-F657 AromaticContact CD1-CZ 3.63Å; W653-F657 AromaticContact CE2-CE2 3.87Å; W653-F657 AromaticContact CE2-CZ 3.65Å; W653-F657 HydrophobicContact CG-CD2 4.28Å; W653-F657 HydrophobicContact CG-CE2 4.04Å; W653-F657 HydrophobicContact CZ2-CE1 4.45Å; W653-F657 HydrophobicContact CZ2-CZ 4.1Å; W653-F657 AromaticContact NE1-CD2 3.77Å; W653-F657 AromaticContact NE1-CE1 3.93Å; W653-F657 AromaticContact NE1-CE2 2.86Å; W653-F657 AromaticContact NE1-CZ 2.95Å; W653-F657 VanDerWaalsContact O-CD2 3.32Å; W653-F657 WeakPolarHBondContact O-CD2 3.08Å; W653-F657 WeakPolarHBondContact O-CG 3.46Å; W653-F657 PolarHBondContact O-N 3.48Å
654S81.7Confident72.8Confident43 Ų4362.5 Ų62.530%0.30136%0.358SS..Hα-helixtrans-57.9-47.3170.5173.90000111.6L650 W651 R656 F657 Q658L650-S654 VanDerWaalsContact O-CB 3.29Å; L650-S654 WeakPolarHBondContact O-CB 3.26Å; L650-S654 PolarHBondContact O-N 2.91Å; W651-S654 PolarHBondContact O-N 2.7Å; S654-R656 PolarHBondContact O-N 3.34Å; S654-F657 PolarHBondContact O-N 2.7Å; S654-Q658 WeakPolarHBondContact O-CG 3.29Å; S654-Q658 PolarHBondContact O-N 2.87Å; S654-Q658 PolarHBondContact OG-NE2 2.92Å
655M76.1Confident70.3Confident46 Ų4667.4 Ų67.423%0.22739%0.39CS..Hα-helixtrans-63.5-41.9177.3-74-77-72.900112.1H602 W651 Y652 W653 F657 Q658 A659H602-M655 WeakPolarHBondContact CE1-CE 3.41Å; H602-M655 VanDerWaalsContact CE1-SD 3.53Å; W651-M655 HydrophobicContact CD2-CG 4.01Å; W651-M655 HydrophobicContact CE3-CG 4.47Å; W651-M655 HydrophobicContact CH2-CE 4.34Å; W651-M655 HydrophobicContact CH2-CG 4.29Å; W651-M655 HydrophobicContact CZ2-CE 3.91Å; W651-M655 HydrophobicContact CZ2-CG 3.78Å; W651-M655 HydrophobicContact CZ2-SD 4.21Å; W651-M655 WeakPolarHBondContact O-CB 3.43Å; W651-M655 WeakPolarHBondContact O-CG 3.33Å; W651-M655 PolarHBondContact O-N 2.96Å; Y652-M655 PolarHBondContact O-N 3.31Å; W653-M655 PolarHBondContact O-N 2.83Å; M655-F657 VanDerWaalsContact C-N 3.35Å; M655-F657 PolarHBondContact O-N 2.9Å; M655-Q658 PolarHBondContact O-N 2.79Å; M655-A659 WeakPolarHBondContact O-CB 3.4Å; M655-A659 PolarHBondContact O-N 3.42Å
656R76.8Confident67.9Low81 Ų8175.6 Ų75.631%0.30643%0.433SS..Hα-helixtrans-59.4-43.5174.3-94.6-80.8-167.2166.92112.1S428 Y652 W653 S654 A659 Q660S428-R656 PolarHBondContact OG-NH2 3.28Å; S428-R656 VanDerWaalsContact OG-NH2 3.09Å; Y652-R656 HydrophobicContact CD1-CG 4.35Å; Y652-R656 HydrophobicContact CE1-CG 3.8Å; Y652-R656 WeakPolarHBondContact O-CB 3.43Å; Y652-R656 PolarHBondContact O-N 3.44Å; Y652-R656 PolarHBondContact OH-NE 3.18Å; Y652-R656 PolarHBondContact OH-NH2 2.95Å; W653-R656 WeakPolarHBondContact O-CB 3.36Å; W653-R656 PolarHBondContact O-N 2.77Å; S654-R656 PolarHBondContact O-N 3.34Å; R656-A659 PolarHBondContact O-N 2.9Å; R656-Q660 PolarHBondContact O-N 2.7Å
657F78.4Confident65.2Low113 Ų11381.7 Ų81.750%0.49646%0.46SS..Hα-helixtrans-69.9-40.3177.7-76.4-45.5000112.8W653 S654 M655 A659 Q660 G661W653-F657 AromaticContact CD1-CD2 3.53Å; W653-F657 AromaticContact CD1-CE2 2.99Å; W653-F657 AromaticContact CD1-CZ 3.63Å; W653-F657 AromaticContact CE2-CE2 3.87Å; W653-F657 AromaticContact CE2-CZ 3.65Å; W653-F657 HydrophobicContact CG-CD2 4.28Å; W653-F657 HydrophobicContact CG-CE2 4.04Å; W653-F657 HydrophobicContact CZ2-CE1 4.45Å; W653-F657 HydrophobicContact CZ2-CZ 4.1Å; W653-F657 AromaticContact NE1-CD2 3.77Å; W653-F657 AromaticContact NE1-CE1 3.93Å; W653-F657 AromaticContact NE1-CE2 2.86Å; W653-F657 AromaticContact NE1-CZ 2.95Å; W653-F657 VanDerWaalsContact O-CD2 3.32Å; W653-F657 WeakPolarHBondContact O-CD2 3.08Å; W653-F657 WeakPolarHBondContact O-CG 3.46Å; W653-F657 PolarHBondContact O-N 3.48Å; S654-F657 PolarHBondContact O-N 2.7Å; M655-F657 VanDerWaalsContact C-N 3.35Å; M655-F657 PolarHBondContact O-N 2.9Å; F657-A659 VanDerWaalsContact C-N 3.26Å; F657-A659 PolarHBondContact O-N 3.1Å; F657-Q660 PolarHBondContact O-N 3.01Å; F657-G661 PolarHBondContact O-N 3.45Å; F657-G661 VanDerWaalsContact O-N 3.09Å
658Q72.4Confident62.6Low71 Ų7186.1 Ų86.133%0.33248%0.484SS..Hα-helixtrans-60.7-37.4174-72.8-178.325.500111.7S654 M655 Q660 G661S654-Q658 WeakPolarHBondContact O-CG 3.29Å; S654-Q658 PolarHBondContact O-N 2.87Å; S654-Q658 PolarHBondContact OG-NE2 2.92Å; M655-Q658 PolarHBondContact O-N 2.79Å; Q658-Q660 VanDerWaalsContact C-N 3.28Å; Q658-Q660 PolarHBondContact O-N 2.95Å; Q658-G661 PolarHBondContact O-N 2.83Å
659A67.5Low60.3Low86 Ų8694 Ų9471%0.71153%0.526SS*.Hα-helixtrans-68.6-23.3175.500000113.8M655 R656 F657M655-A659 WeakPolarHBondContact O-CB 3.4Å; M655-A659 PolarHBondContact O-N 3.42Å; R656-A659 PolarHBondContact O-N 2.9Å; F657-A659 VanDerWaalsContact C-N 3.26Å; F657-A659 PolarHBondContact O-N 3.1Å
660Q62.6Low58Low139 Ų13997.9 Ų97.965%0.6556%0.557SS**Hα-helixtrans-87.7-20.7176.2-72.5179.2-9.700113.2R656 F657 Q658R656-Q660 PolarHBondContact O-N 2.7Å; F657-Q660 PolarHBondContact O-N 3.01Å; Q658-Q660 VanDerWaalsContact C-N 3.28Å; Q658-Q660 PolarHBondContact O-N 2.95Å
661G51.6Low55.8Low65 Ų65101.4 Ų101.467%0.6758%0.576SS**  trans-91.29-176.100000116.6F657 Q658F657-G661 PolarHBondContact O-N 3.45Å; F657-G661 VanDerWaalsContact O-N 3.09Å; Q658-G661 PolarHBondContact O-N 2.83Å
662G41Very low53.7Low51 Ų51105.9 Ų105.953%0.52661%0.612SS.*SBendtrans-69135.8175.400000111.7S664G662-S664 PolarHBondContact O-N 3.28Å; G662-S664 VanDerWaalsContact O-N 3.13Å
663P37.7Very low51.8Low127 Ų127110.3 Ų110.383%0.82565%0.65SS**  trans-65.2116.1-173.125.2-31.8000110.6P665P663-P665 VanDerWaalsContact O-CD 3.23Å; P663-P665 WeakPolarHBondContact O-CD 3.49Å
664S32.6Very low49.7Very low107 Ų107115.6 Ų115.675%0.74868%0.676SS**  trans-71.3112.4163.741.70000109G662G662-S664 PolarHBondContact O-N 3.28Å; G662-S664 VanDerWaalsContact O-N 3.13Å
665P33.2Very low47.5Very low109 Ų109120.5 Ų120.571%0.70870%0.697SS**  trans-72.5143.916532.6-29.5000107.5P663P663-P665 VanDerWaalsContact O-CD 3.23Å; P663-P665 WeakPolarHBondContact O-CD 3.49Å
666L33.6Very low45.9Very low172 Ų172124 Ų12490%0.90172%0.724SS**  trans80.269.3173.5-58.1123.6000117.3
667K31.8Very low43.9Very low195 Ų195127.5 Ų127.585%0.84875%0.747SS**  trans-161.385.6144.1-154.2171.5-177.6-1790109.6
668N31.5Very low42.2Very low155 Ų155127.5 Ų127.583%0.82976%0.761SS**SBendtrans167.192.3156.8-85.6-8.1000109.1
669N35Very low40.5Very low165 Ų165129.5 Ų129.588%0.88278%0.783SS**  trans17468.6148-91-4.1000108.8
670S36.2Very low39.2Very low116 Ų116128.8 Ų128.881%0.81178%0.784SS**  trans-140.473.4164.1-67.30000107.7
671D41.2Very low38.1Very low158 Ų158128 Ų12885%0.84579%0.793SS**SBendtrans-149.2118.1157-92.5-36.3000109.8
672S39.9Very low37.7Very low118 Ų118131 Ų13183%0.82580%0.799SS**  trans73.183.9150.7-580000119.8
673A42.5Very low37.7Very low101 Ų101133.9 Ų133.984%0.83581%0.811SS**  trans-158.993.5141.700000112.5
674K40.5Very low37.9Very low210 Ų210132.5 Ų132.591%0.91380%0.804SS**  trans30119.4144.5-68.9176.4175.7176.90120.6
675L35.5Very low38.2Very low145 Ų145131.9 Ų131.976%0.75980%0.8SS**  trans-43.4160.7149.5-81.2157.6000113.6I677L675-I677 HydrophobicContact CD2-CD1 4.35Å; L675-I677 HydrophobicContact CD2-CG1 4.32Å
676P42.1Very low38.8Very low121 Ų121138.3 Ų138.379%0.78681%0.81SS**  cis-140.4162.538.937.2-16.2000118.6
677I35.1Very low39.2Very low153 Ų153141.6 Ų141.679%0.78583%0.827SS**  trans-64.5123.7168.8-65.2160000109.2L675L675-I677 HydrophobicContact CD2-CD1 4.35Å; L675-I677 HydrophobicContact CD2-CG1 4.32Å
678S42Very low39.6Very low114 Ų114139 Ų13980%0.79783%0.826SS**  trans-123.5109.7157.7-177.20000108.5
679S38.5Very low40Very low112 Ų112138.1 Ų138.178%0.78383%0.825SS**  trans-51.8137.3163.447.90000111.4
680G39Very low40.3Very low71 Ų71136.6 Ų136.673%0.73282%0.822SS**  trans173.867.1174.500000113.3T682G680-T682 PolarHBondContact O-N 3.48Å
681S39.2Very low40.6Very low122 Ų122137.8 Ų137.885%0.85382%0.823SS**  trans-69.2110.3159.6520000109.7
682T43.6Very low40.5Very low129 Ų129136.6 Ų136.679%0.79182%0.821SS**  trans-107.2115.1152.141.90000106.1G680G680-T682 PolarHBondContact O-N 3.48Å
683S41.9Very low40.6Very low111 Ų111137.8 Ų137.878%0.77682%0.821SS**  46130.897.1160.10000111.9
684S40.8Very low40.4Very low98 Ų98140.4 Ų140.469%0.68582%0.82SS**  cis179.7167.82.7176.70000103.8
685S40.2Very low40.4Very low95 Ų95135.1 Ų135.166%0.66481%0.813SS**  trans68.2117.416056.20000118.9
686R44.3Very low40.8Very low243 Ų243134.3 Ų134.392%0.91782%0.818SS**  56.7111107.1-62.7-176.7-161.9-179.25.5111.1
687I43.2Very low40.7Very low242 Ų242135.5 Ų135.5100%1.24182%0.82SS**  -147.4057.1-80.6160.4000109.2

Retrieved 687 of 687 residues in 200 ms (Link to these results)